A0A3Q0KPA9_SCHMA Loading...

DUF4821 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low60Low121 Ų121110.2 Ų110.260%0.59655%0.545SS*.  0-44.50-77.5-173.2163.400111.7R3 A4 F8 V59 A103M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 2.71Å; M1-A4 WeakPolarHBondContact O-CA 3.35Å; M1-A4 WeakPolarHBondContact O-CB 3.28Å; M1-A4 PolarHBondContact O-N 2.76Å; M1-F8 HydrophobicContact CE-CD1 4.47Å; M1-F8 HydrophobicContact CE-CE1 4.18Å; M1-F8 HydrophobicContact CE-CZ 4.2Å; M1-F8 HydrophobicContact CG-CE2 4.36Å; M1-V59 HydrophobicContact CE-CG2 3.93Å; M1-A103 HydrophobicContact SD-CB 3.58Å; M1-A103 VanDerWaalsContact SD-CB 3.58Å
2E41.4Very low61.8Low149 Ų149107.2 Ų107.270%0.69652%0.523SS*.G310 helixtrans-54.5-35.6173.4-72.3178.8158.100114.4A4E2-A4 PolarHBondContact O-N 2.72Å
3R43.3Very low63.4Low256 Ų256100.4 Ų100.497%0.96649%0.493SS*.G310 helixtrans-72.8-0.2173.8-68.7-173.4-177.9178.30.1115M1M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 2.71Å
4A49.6Very low64.7Low19 Ų1996.6 Ų96.616%0.15748%0.482CS..G310 helixtrans-127.528.7-170.200000112.3M1 E2 G6 L7 F8M1-A4 WeakPolarHBondContact O-CA 3.35Å; M1-A4 WeakPolarHBondContact O-CB 3.28Å; M1-A4 PolarHBondContact O-N 2.76Å; E2-A4 PolarHBondContact O-N 2.72Å; A4-G6 PolarHBondContact O-N 3.44Å; A4-G6 VanDerWaalsContact O-N 3.16Å; A4-L7 HydrophobicContact CB-CB 4.31Å; A4-L7 HydrophobicContact CB-CD1 3.9Å; A4-L7 PolarHBondContact O-N 2.95Å; A4-L7 VanDerWaalsContact O-N 3.1Å; A4-F8 HydrophobicContact CB-CD2 4.15Å; A4-F8 HydrophobicContact CB-CE2 3.78Å
5E47Very low65.5Low152 Ų15292.3 Ų92.371%0.7146%0.46SS*.THydrogen-bonded Turntrans-54.8119.9168.3-74.5-166.5141.400108.9K106E5-K106 IonicContact OE1-NZ 3.48Å; E5-K106 PolarHBondContact OE1-NZ 3.31Å
6G57.7Low66.3Low83 Ų8393.4 Ų93.486%0.85647%0.474SS*.THydrogen-bonded Turntrans106-14.7-176.200000116.3A4A4-G6 PolarHBondContact O-N 3.44Å; A4-G6 VanDerWaalsContact O-N 3.16Å
7L66.9Low67.3Low102 Ų10288.3 Ų88.353%0.53445%0.448SS..THydrogen-bonded Turntrans-93.5-13.4177.8-78.5161000114.2A4 S54A4-L7 HydrophobicContact CB-CB 4.31Å; A4-L7 HydrophobicContact CB-CD1 3.9Å; A4-L7 PolarHBondContact O-N 2.95Å; A4-L7 VanDerWaalsContact O-N 3.1Å; L7-S54 PolarHBondContact O-N 3.45Å
8F74.7Confident68.1Low73 Ų7384.5 Ų84.532%0.3243%0.43SS..EExtended strand (participates in β ladder)trans-124.5138-176.4-62.8-80.4000110.7M1 A4 V51 T52 D53 V59M1-F8 HydrophobicContact CE-CD1 4.47Å; M1-F8 HydrophobicContact CE-CE1 4.18Å; M1-F8 HydrophobicContact CE-CZ 4.2Å; M1-F8 HydrophobicContact CG-CE2 4.36Å; A4-F8 HydrophobicContact CB-CD2 4.15Å; A4-F8 HydrophobicContact CB-CE2 3.78Å; F8-V51 HydrophobicContact CB-CG1 3.9Å; F8-V51 HydrophobicContact CD1-CG1 4.1Å; F8-V51 HydrophobicContact CG-CG1 4.25Å; F8-T52 CarbonylContact C-O 3.6Å; F8-T52 VanDerWaalsContact CA-O 3.23Å; F8-T52 WeakPolarHBondContact CA-O 3.32Å; F8-D53 HydrophobicContact CD1-CB 4.08Å; F8-D53 HydrophobicContact CE1-CB 3.88Å; F8-V59 HydrophobicContact CD1-CG2 3.82Å; F8-V59 HydrophobicContact CE1-CG1 4.35Å; F8-V59 HydrophobicContact CE1-CG2 3.86Å
9E77Confident68.8Low111 Ų11188.8 Ų88.852%0.51945%0.445SS..EExtended strand (participates in β ladder)trans-101.1130.9173-173.6-175.1167.200108.9V51 T52E9-V51 WeakPolarHBondContact O-CA 3.4Å; E9-T52 PolarHBondContact N-O 3.35Å; E9-T52 PolarHBondContact O-N 3.42Å; E9-T52 PolarHBondContact O-OG1 2.87Å
10I78.1Confident69.3Low65 Ų6588.2 Ų88.233%0.33344%0.441SS..EExtended strand (participates in β ladder)trans-107.2123.1175.3-56.5178000107.7C50 V51 L104 M107I10-C50 WeakPolarHBondContact CA-O 3.47Å; I10-V51 HydrophobicContact CG1-CG1 4.49Å; I10-V51 HydrophobicContact CG1-CG2 4.28Å; I10-L104 HydrophobicContact CG2-CD2 3.51Å; I10-M107 HydrophobicContact CB-CG 4.41Å; I10-M107 HydrophobicContact CD1-CB 4.43Å; I10-M107 HydrophobicContact CG2-CB 3.82Å; I10-M107 HydrophobicContact CG2-CG 3.81Å
11R82.3Confident69.8Low81 Ų8184.5 Ų84.531%0.30642%0.423SS..EExtended strand (participates in β ladder)trans-134.7169.2177.263171.8-178.881.1-4.6111.3D17 L49 C50R11-D17 IonicContact CZ-OD1 3.43Å; R11-D17 IonicContact CZ-OD2 3.34Å; R11-D17 IonicContact NH1-OD1 2.77Å; R11-D17 IonicContact NH1-OD2 3.96Å; R11-D17 PolarHBondContact NH1-OD2 3.23Å; R11-D17 VanDerWaalsContact NH2-CG 3.31Å; R11-D17 IonicContact NH2-OD1 2.58Å; R11-D17 PolarHBondContact NH2-OD1 2.75Å; R11-D17 IonicContact NH2-OD2 3.35Å; R11-D17 PolarHBondContact NH2-OD2 3.26Å; R11-L49 WeakPolarHBondContact O-CA 3.33Å; R11-C50 HydrophobicContact CG-CB 4.31Å; R11-C50 PolarHBondContact N-O 3.39Å; R11-C50 PolarHBondContact O-N 3.03Å; R11-C50 VanDerWaalsContact O-O 3.1Å
12R81.3Confident71.5Confident74 Ų7484 Ų8428%0.27942%0.419SS..EExtended strand (participates in β ladder)trans-66.2150.9169.3-72.3-169.9175.1127.814.2111.3S48 L49R12-S48 WeakPolarHBondContact CA-O 3.15Å; R12-L49 HydrophobicContact CG-CD2 4.06Å
13S83.2Confident73Confident19 Ų1983.9 Ų83.913%0.13342%0.416CS..PPolyproline II helixtrans-73.2131.8175-53.90000111S48 L49 C50 H61S13-S48 WeakPolarHBondContact CB-OG 3.21Å; S13-S48 PolarHBondContact N-O 3.12Å; S13-S48 VanDerWaalsContact OG-C 3.26Å; S13-S48 PolarHBondContact OG-O 3.05Å; S13-S48 PolarHBondContact OG-OG 3.2Å; S13-L49 WeakPolarHBondContact OG-CA 3.24Å; S13-L49 PolarHBondContact OG-N 2.76Å; S13-L49 VanDerWaalsContact OG-N 3.14Å; S13-L49 PolarHBondContact OG-O 3.32Å; S13-C50 VanDerWaalsContact CA-SG 3.58Å; S13-C50 VanDerWaalsContact CB-SG 3.59Å; S13-C50 PolarHBondContact OG-SG 3.18Å; S13-H61 PolarHBondContact OG-CD2 3.02Å; S13-H61 PolarHBondContact OG-NE2 3.4Å; S13-H61 VanDerWaalsContact OG-NE2 3.15Å
14S81.4Confident74.3Confident48 Ų4873.8 Ų73.834%0.33638%0.381SS..PPolyproline II helixtrans-101.6155.1166171.70000108.9T16 D17S14-T16 WeakPolarHBondContact CB-OG1 3.36Å; S14-T16 PolarHBondContact O-N 2.78Å; S14-T16 PolarHBondContact OG-N 2.9Å; S14-T16 PolarHBondContact OG-OG1 3.14Å; S14-D17 PolarHBondContact N-OD2 3.48Å; S14-D17 WeakPolarHBondContact O-CB 3.41Å; S14-D17 PolarHBondContact O-N 2.67Å
15L77.4Confident75Confident31 Ų3178.4 Ų78.416%0.16239%0.394CS..G310 helixtrans-71.3-14173.8-74.4164.3000113.3D17 V18 V39 I42 Y496L15-D17 PolarHBondContact O-N 2.92Å; L15-V18 HydrophobicContact CB-CG2 4.45Å; L15-V18 HydrophobicContact CD2-CG2 3.73Å; L15-V18 WeakPolarHBondContact O-CB 3.2Å; L15-V18 WeakPolarHBondContact O-CG2 3.42Å; L15-V18 PolarHBondContact O-N 3.15Å; L15-V39 HydrophobicContact CD1-CG1 4.37Å; L15-V39 HydrophobicContact CD2-CB 4.18Å; L15-V39 HydrophobicContact CD2-CG1 3.81Å; L15-V39 HydrophobicContact CD2-CG2 4.22Å; L15-I42 HydrophobicContact CD2-CB 4.05Å; L15-I42 HydrophobicContact CD2-CD1 4.07Å; L15-I42 HydrophobicContact CD2-CG2 4.01Å; L15-I42 HydrophobicContact CG-CG2 4.39Å; L15-Y496 HydrophobicContact CD1-CD1 4.19Å; L15-Y496 HydrophobicContact CD1-CD2 3.43Å; L15-Y496 VanDerWaalsContact CD1-CD2 3.43Å; L15-Y496 HydrophobicContact CD1-CE1 3.72Å; L15-Y496 HydrophobicContact CD1-CE2 2.91Å; L15-Y496 HydrophobicContact CD1-CG 4.05Å; L15-Y496 VanDerWaalsContact CD1-OH 3.29Å; L15-Y496 WeakPolarHBondContact CD1-OH 3.27Å; L15-Y496 HydrophobicContact CG-CE2 4.32Å
16T78Confident75.3Confident111 Ų11176.9 Ų76.968%0.68139%0.39SS*.G310 helixtrans-62.2-22.1165.355.80000112.4S14 V18S14-T16 WeakPolarHBondContact CB-OG1 3.36Å; S14-T16 PolarHBondContact O-N 2.78Å; S14-T16 PolarHBondContact OG-N 2.9Å; S14-T16 PolarHBondContact OG-OG1 3.14Å; T16-V18 VanDerWaalsContact C-N 3.34Å
17D82.4Confident74.8Confident6 Ų680.2 Ų80.23%0.03238%0.383CS..G310 helixtrans-80.9-13.9-177.7-54.6-32.2000112.8R11 S14 L15 K19 Q20 I21 C50R11-D17 IonicContact CZ-OD1 3.43Å; R11-D17 IonicContact CZ-OD2 3.34Å; R11-D17 IonicContact NH1-OD1 2.77Å; R11-D17 IonicContact NH1-OD2 3.96Å; R11-D17 PolarHBondContact NH1-OD2 3.23Å; R11-D17 VanDerWaalsContact NH2-CG 3.31Å; R11-D17 IonicContact NH2-OD1 2.58Å; R11-D17 PolarHBondContact NH2-OD1 2.75Å; R11-D17 IonicContact NH2-OD2 3.35Å; R11-D17 PolarHBondContact NH2-OD2 3.26Å; S14-D17 PolarHBondContact N-OD2 3.48Å; S14-D17 WeakPolarHBondContact O-CB 3.41Å; S14-D17 PolarHBondContact O-N 2.67Å; L15-D17 PolarHBondContact O-N 2.92Å; D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.6Å; D17-K19 VanDerWaalsContact O-N 3.13Å; D17-Q20 WeakPolarHBondContact O-CA 3.48Å; D17-Q20 PolarHBondContact O-N 3.22Å; D17-I21 HydrophobicContact CB-CD1 3.92Å; D17-I21 HydrophobicContact CB-CG1 4.27Å; D17-I21 WeakPolarHBondContact O-CG1 3.37Å; D17-I21 PolarHBondContact O-N 3.36Å; D17-C50 PolarHBondContact OD2-SG 2.88Å; D17-C50 VanDerWaalsContact OD2-SG 3.38Å
18V82.4Confident73.7Confident20 Ų2081.3 Ų81.312%0.12138%0.384CS..Hα-helixtrans-49.8-45.1-174.6168.20000112L15 T16 Q20 I21 E22 L38 V39 I42L15-V18 HydrophobicContact CB-CG2 4.45Å; L15-V18 HydrophobicContact CD2-CG2 3.73Å; L15-V18 WeakPolarHBondContact O-CB 3.2Å; L15-V18 WeakPolarHBondContact O-CG2 3.42Å; L15-V18 PolarHBondContact O-N 3.15Å; T16-V18 VanDerWaalsContact C-N 3.34Å; V18-Q20 VanDerWaalsContact C-N 3.32Å; V18-Q20 PolarHBondContact O-N 3.48Å; V18-I21 PolarHBondContact O-N 3.17Å; V18-E22 WeakPolarHBondContact O-CG 3.27Å; V18-E22 PolarHBondContact O-N 2.59Å; V18-L38 HydrophobicContact CG1-CD2 4.1Å; V18-V39 HydrophobicContact CG1-CG2 4.41Å; V18-V39 HydrophobicContact CG2-CG2 4.17Å; V18-I42 HydrophobicContact CG2-CD1 3.91Å
19K80.6Confident71.9Confident166 Ų16684.3 Ų84.372%0.72240%0.403SS*.Hα-helixtrans-63.5-34.7178.4-69.1-177.3178.4178.70113.2D17D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.6Å; D17-K19 VanDerWaalsContact O-N 3.13Å
20Q79Confident70Confident76 Ų7681.8 Ų81.836%0.35540%0.398SS..Hα-helixtrans-77.7-38.7177.2-60.5-168.216.200110.9D17 V18 E22 K23 L24 L58D17-Q20 WeakPolarHBondContact O-CA 3.48Å; D17-Q20 PolarHBondContact O-N 3.22Å; V18-Q20 VanDerWaalsContact C-N 3.32Å; V18-Q20 PolarHBondContact O-N 3.48Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 3.32Å; Q20-K23 WeakPolarHBondContact O-CB 2.95Å; Q20-K23 PolarHBondContact O-N 2.85Å; Q20-K23 VanDerWaalsContact O-N 3.16Å; Q20-L24 PolarHBondContact O-N 3.17Å; Q20-L58 HydrophobicContact CB-CB 3.94Å; Q20-L58 HydrophobicContact CB-CD2 3.94Å
21I79.2Confident68.2Low12 Ų1281.9 Ų81.96%0.06241%0.414CS..Hα-helixtrans-62.3-40.1175.8-61163.9000110.9D17 V18 K23 L24 R25 L38 I42 L58 H61D17-I21 HydrophobicContact CB-CD1 3.92Å; D17-I21 HydrophobicContact CB-CG1 4.27Å; D17-I21 WeakPolarHBondContact O-CG1 3.37Å; D17-I21 PolarHBondContact O-N 3.36Å; V18-I21 PolarHBondContact O-N 3.17Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 3.35Å; I21-L24 WeakPolarHBondContact O-CB 3.48Å; I21-L24 PolarHBondContact O-N 2.96Å; I21-L24 VanDerWaalsContact O-N 3.1Å; I21-R25 PolarHBondContact O-N 3.24Å; I21-L38 HydrophobicContact CB-CD2 3.68Å; I21-L38 HydrophobicContact CD1-CD2 4.42Å; I21-L38 HydrophobicContact CG2-CD1 4.08Å; I21-L38 HydrophobicContact CG2-CD2 3.45Å; I21-L38 VanDerWaalsContact CG2-CD2 3.45Å; I21-L38 HydrophobicContact CG2-CG 4.38Å; I21-I42 HydrophobicContact CD1-CD1 3.77Å; I21-L58 HydrophobicContact CB-CD2 4.23Å; I21-L58 HydrophobicContact CD1-CD2 4.41Å; I21-L58 HydrophobicContact CG1-CD2 3.3Å; I21-H61 HydrophobicContact CD1-CB 4.41Å; I21-H61 HydrophobicContact CG1-CB 4.07Å; I21-H61 HydrophobicContact CG2-CB 4.13Å
22E78.3Confident66.4Low109 Ų10985.2 Ų85.251%0.50944%0.438SS..Hα-helixtrans-59-36.8175.3-79-179167.400112.7V18 Q20 L24 R25 L38V18-E22 WeakPolarHBondContact O-CG 3.27Å; V18-E22 PolarHBondContact O-N 2.59Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 3.32Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 3.5Å; E22-R25 WeakPolarHBondContact O-CB 3.44Å; E22-R25 PolarHBondContact O-N 3.06Å; E22-L38 HydrophobicContact CG-CD2 4.17Å
23K73.7Confident64.7Low147 Ų14786.6 Ų86.664%0.63944%0.443SS*.Hα-helixtrans-65.7-35.4175.6-66176.7-178.7-177.50112.3Q20 I21 R25 H27Q20-K23 WeakPolarHBondContact O-CB 2.95Å; Q20-K23 PolarHBondContact O-N 2.85Å; Q20-K23 VanDerWaalsContact O-N 3.16Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 3.35Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-H27 PolarHBondContact O-ND1 2.88Å
24L70.4Confident62.9Low45 Ų4596.6 Ų96.624%0.23648%0.478CS..Hα-helixtrans-66.1-35.4175.4-65.3174.2000111.6Q20 I21 E22 I26 H27 L58Q20-L24 PolarHBondContact O-N 3.17Å; I21-L24 WeakPolarHBondContact O-CB 3.48Å; I21-L24 PolarHBondContact O-N 2.96Å; I21-L24 VanDerWaalsContact O-N 3.1Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 3.5Å; L24-I26 VanDerWaalsContact C-N 3.27Å; L24-I26 PolarHBondContact O-N 2.84Å; L24-H27 PolarHBondContact O-N 3.15Å; L24-L58 HydrophobicContact CD1-CD2 3.88Å; L24-L58 HydrophobicContact CD1-CG 3.99Å
25R63Low61.7Low116 Ų116104.2 Ų104.244%0.43851%0.505SS..Hα-helixtrans-61.8-30.8-177.9-166.2174.8-179.6175.71.3113.7I21 E22 K23 H27 F28 R33I21-R25 PolarHBondContact O-N 3.24Å; E22-R25 WeakPolarHBondContact O-CB 3.44Å; E22-R25 PolarHBondContact O-N 3.06Å; K23-R25 VanDerWaalsContact C-N 3.32Å; R25-H27 PolarHBondContact O-N 2.85Å; R25-H27 VanDerWaalsContact O-N 3.09Å; R25-F28 PolarHBondContact O-N 2.95Å; R25-F28 VanDerWaalsContact O-N 3.17Å; R25-R33 PolarHBondContact NH2-O 2.82Å
26I54.1Low61.1Low119 Ų119106.5 Ų106.561%0.6152%0.52SS*.THydrogen-bonded Turntrans-58.6-25.1179.4-61173.6000111.6L24L24-I26 VanDerWaalsContact C-N 3.27Å; L24-I26 PolarHBondContact O-N 2.84Å
27H46.9Very low61.1Low154 Ų154103.8 Ų103.871%0.71351%0.506SS*.THydrogen-bonded Turntrans-86.7-10.3-177.1-65.583.9000114.9K23 L24 R25K23-H27 PolarHBondContact O-ND1 2.88Å; L24-H27 PolarHBondContact O-N 3.15Å; R25-H27 PolarHBondContact O-N 2.85Å; R25-H27 VanDerWaalsContact O-N 3.09Å
28F45Very low60.9Low125 Ų125104.7 Ų104.755%0.54851%0.511SS..SBendtrans-118.436-174.7-72.1-82.6000113.5R25 S30R25-F28 PolarHBondContact O-N 2.95Å; R25-F28 VanDerWaalsContact O-N 3.17Å; F28-S30 PolarHBondContact O-N 3.06Å; F28-S30 VanDerWaalsContact O-N 3.12Å
29N36.2Very low61Low136 Ų136105.4 Ų105.473%0.72752%0.515SS*.  trans-75.498-176.2-88.8-30.8000113.7
30S37.2Very low61.2Low58 Ų5899 Ų9941%0.40649%0.49SS..  trans-153.4119148.456.20000109.4F28 S127F28-S30 PolarHBondContact O-N 3.06Å; F28-S30 VanDerWaalsContact O-N 3.12Å; S30-S127 WeakPolarHBondContact OG-CB 3.15Å
31G40.3Very low61.4Low66 Ų6697.4 Ų97.468%0.6848%0.484SS*.SBendtrans111.1143.5169.200000116.4R33G31-R33 PolarHBondContact O-N 3.4Å
32D43.9Very low61.7Low151 Ų15196.9 Ų96.981%0.80748%0.481SS*.  trans-66.732.4-160.4-144.94.4000117.2R34D32-R34 PolarHBondContact O-N 3.32Å
33R46.4Very low62.2Low104 Ų10492.1 Ų92.139%0.39246%0.459SS..  trans-72.126.9-177.2-75-172.1172.5179.21.1115R25 G31 K35 H100R25-R33 PolarHBondContact NH2-O 2.82Å; G31-R33 PolarHBondContact O-N 3.4Å; R33-K35 VanDerWaalsContact C-N 3.32Å; R33-K35 PolarHBondContact O-N 2.97Å; R33-H100 VanDerWaalsContact CZ-CE1 3.49Å; R33-H100 PolarHBondContact NH1-CE1 3.29Å; R33-H100 PolarHBondContact NH1-ND1 3.22Å; R33-H100 PolarHBondContact NH1-NE2 2.9Å; R33-H100 PolarHBondContact NH2-CE1 2.99Å; R33-H100 VanDerWaalsContact NH2-CE1 3.29Å
34R44.2Very low62.9Low228 Ų22889.3 Ų89.386%0.8644%0.444SS*.THydrogen-bonded Turntrans-73.4-1.1-170.2-79.9-170.3-179-172.42.6116.7D32D32-R34 PolarHBondContact O-N 3.32Å
35K56Low63.7Low208 Ų20887.2 Ų87.290%0.90443%0.433SS*.THydrogen-bonded Turntrans-109.1-22.2-167.9-70.1-177-179.5176.40117.6R33R33-K35 VanDerWaalsContact C-N 3.32Å; R33-K35 PolarHBondContact O-N 2.97Å
36T66.1Low65Low79 Ų7982 Ų8249%0.48542%0.415SS..SBendtrans-90.6126.2-175.8-38.90000111.1L38 L41T36-L38 PolarHBondContact O-N 3.22Å; T36-L41 HydrophobicContact CG2-CD1 4.37Å; T36-L41 HydrophobicContact CG2-CD2 3.94Å; T36-L41 HydrophobicContact CG2-CG 3.82Å
37S76.7Confident66.6Low54 Ų5476.6 Ų76.638%0.37839%0.387SS..  trans-60.1131.8172.4172.20000110.3V39 T40 L41S37-V39 PolarHBondContact O-N 2.86Å; S37-V39 PolarHBondContact OG-N 3.24Å; S37-T40 WeakPolarHBondContact CB-OG1 3.45Å; S37-T40 WeakPolarHBondContact O-CB 3.31Å; S37-T40 PolarHBondContact O-N 2.93Å; S37-T40 VanDerWaalsContact O-N 3.11Å; S37-L41 PolarHBondContact O-N 3.31Å
38L80.2Confident68.5Low26 Ų2669.7 Ų69.714%0.13636%0.356CS..Hα-helixtrans-61.3-33176.6-178.362.4000111.6V18 I21 E22 T36 L41 I42V18-L38 HydrophobicContact CG1-CD2 4.1Å; I21-L38 HydrophobicContact CB-CD2 3.68Å; I21-L38 HydrophobicContact CD1-CD2 4.42Å; I21-L38 HydrophobicContact CG2-CD1 4.08Å; I21-L38 HydrophobicContact CG2-CD2 3.45Å; I21-L38 VanDerWaalsContact CG2-CD2 3.45Å; I21-L38 HydrophobicContact CG2-CG 4.38Å; E22-L38 HydrophobicContact CG-CD2 4.17Å; T36-L38 PolarHBondContact O-N 3.22Å; L38-L41 PolarHBondContact O-N 2.96Å; L38-I42 HydrophobicContact CD1-CD1 4.4Å; L38-I42 HydrophobicContact CD1-CG1 4.49Å; L38-I42 HydrophobicContact CG-CD1 4.08Å; L38-I42 WeakPolarHBondContact O-CG1 3.21Å; L38-I42 PolarHBondContact O-N 3.06Å
39V83.9Confident70.5Confident34 Ų3463.8 Ų63.821%0.20633%0.33CS..Hα-helixtrans-60.8-47.3173.9179.10000110.3L15 V18 S37 L41 I42 E43 H499L15-V39 HydrophobicContact CD1-CG1 4.37Å; L15-V39 HydrophobicContact CD2-CB 4.18Å; L15-V39 HydrophobicContact CD2-CG1 3.81Å; L15-V39 HydrophobicContact CD2-CG2 4.22Å; V18-V39 HydrophobicContact CG1-CG2 4.41Å; V18-V39 HydrophobicContact CG2-CG2 4.17Å; S37-V39 PolarHBondContact O-N 2.86Å; S37-V39 PolarHBondContact OG-N 3.24Å; V39-L41 VanDerWaalsContact C-N 3.27Å; V39-L41 PolarHBondContact O-N 2.95Å; V39-I42 PolarHBondContact O-N 3.12Å; V39-E43 VanDerWaalsContact O-CB 3.24Å; V39-E43 WeakPolarHBondContact O-CB 3.32Å; V39-E43 PolarHBondContact O-N 3.4Å; V39-H499 WeakPolarHBondContact CG1-NE2 3.31Å
40T84.5Confident72.9Confident33 Ų3357.3 Ų57.320%0.20230%0.295CS..Hα-helixtrans-59.3-40.5175.2-51.60000111.3S37 E43 R44 H499S37-T40 WeakPolarHBondContact CB-OG1 3.45Å; S37-T40 WeakPolarHBondContact O-CB 3.31Å; S37-T40 PolarHBondContact O-N 2.93Å; S37-T40 VanDerWaalsContact O-N 3.11Å; T40-E43 PolarHBondContact O-N 2.73Å; T40-R44 HydrophobicContact CG2-CG 4.02Å; T40-R44 VanDerWaalsContact O-CB 3.31Å; T40-R44 WeakPolarHBondContact O-CB 3.14Å; T40-R44 WeakPolarHBondContact O-CG 3.48Å; T40-R44 PolarHBondContact O-N 3.34Å; T40-H499 PolarHBondContact OG1-ND1 2.88Å
41L83.3Confident75.2Confident41 Ų4154.7 Ų54.722%0.21528%0.277CS..Hα-helixtrans-67.6-36.6-179.4-74.2171.8000113.3T36 S37 L38 V39 S45 C63 Y65T36-L41 HydrophobicContact CG2-CD1 4.37Å; T36-L41 HydrophobicContact CG2-CD2 3.94Å; T36-L41 HydrophobicContact CG2-CG 3.82Å; S37-L41 PolarHBondContact O-N 3.31Å; L38-L41 PolarHBondContact O-N 2.96Å; V39-L41 VanDerWaalsContact C-N 3.27Å; V39-L41 PolarHBondContact O-N 2.95Å; L41-S45 WeakPolarHBondContact O-CB 3.12Å; L41-S45 PolarHBondContact O-N 2.93Å; L41-C63 PolarHBondContact O-SG 3.15Å; L41-C63 VanDerWaalsContact O-SG 3.34Å; L41-Y65 VanDerWaalsContact CA-OH 3.3Å; L41-Y65 WeakPolarHBondContact CA-OH 3.43Å; L41-Y65 PolarHBondContact O-OH 2.7Å
42I86.3Confident77.2Confident2 Ų251.7 Ų51.71%0.0125%0.245CC..Hα-helixtrans-72.2-46.5175.6-67.8167.1000109.1L15 V18 I21 L38 V39 R44 S45L15-I42 HydrophobicContact CD2-CB 4.05Å; L15-I42 HydrophobicContact CD2-CD1 4.07Å; L15-I42 HydrophobicContact CD2-CG2 4.01Å; L15-I42 HydrophobicContact CG-CG2 4.39Å; V18-I42 HydrophobicContact CG2-CD1 3.91Å; I21-I42 HydrophobicContact CD1-CD1 3.77Å; L38-I42 HydrophobicContact CD1-CD1 4.4Å; L38-I42 HydrophobicContact CD1-CG1 4.49Å; L38-I42 HydrophobicContact CG-CD1 4.08Å; L38-I42 WeakPolarHBondContact O-CG1 3.21Å; L38-I42 PolarHBondContact O-N 3.06Å; V39-I42 PolarHBondContact O-N 3.12Å; I42-R44 PolarHBondContact O-N 2.76Å; I42-S45 PolarHBondContact O-N 3.49Å; I42-S45 PolarHBondContact O-OG 3.32Å
43E88Confident79Confident8 Ų846.1 Ų46.14%0.03722%0.216CC..Hα-helixtrans-67.2-39.6-173.9-178.861.2175.200113.6V39 T40 S45 I495 Y496 H499 H500 K605V39-E43 VanDerWaalsContact O-CB 3.24Å; V39-E43 WeakPolarHBondContact O-CB 3.32Å; V39-E43 PolarHBondContact O-N 3.4Å; T40-E43 PolarHBondContact O-N 2.73Å; E43-S45 VanDerWaalsContact C-N 3.32Å; E43-I495 WeakPolarHBondContact OE1-CA 3.37Å; E43-Y496 HydrophobicContact CG-CD2 4.37Å; E43-Y496 PolarHBondContact OE1-N 3.04Å; E43-H499 HydrophobicContact CG-CB 4.39Å; E43-H500 IonicContact OE1-NE2 2.63Å; E43-H500 PolarHBondContact OE1-NE2 3.48Å; E43-K605 IonicContact OE2-NZ 2.7Å; E43-K605 PolarHBondContact OE2-NZ 2.89Å
44R87.7Confident80.6Confident88 Ų8845.3 Ų45.333%0.33223%0.226SC..THydrogen-bonded Turntrans-84.9-7.9180-61.6-169.873.2147.72.1113.6T40 I42 Y65 E504T40-R44 HydrophobicContact CG2-CG 4.02Å; T40-R44 VanDerWaalsContact O-CB 3.31Å; T40-R44 WeakPolarHBondContact O-CB 3.14Å; T40-R44 WeakPolarHBondContact O-CG 3.48Å; T40-R44 PolarHBondContact O-N 3.34Å; I42-R44 PolarHBondContact O-N 2.76Å; R44-Y65 HydrophobicContact CB-CE1 4.3Å; R44-Y65 WeakPolarHBondContact O-CE1 3.17Å; R44-E504 IonicContact CZ-OE1 2.77Å; R44-E504 VanDerWaalsContact CZ-OE1 3.23Å; R44-E504 IonicContact CZ-OE2 3.71Å; R44-E504 IonicContact NH1-OE1 3.69Å; R44-E504 PolarHBondContact NH1-OE1 2.83Å; R44-E504 IonicContact NH1-OE2 2.75Å; R44-E504 PolarHBondContact NH1-OE2 3.37Å; R44-E504 VanDerWaalsContact NH2-CD 3.33Å; R44-E504 IonicContact NH2-OE1 2.67Å; R44-E504 PolarHBondContact NH2-OE1 3.26Å; R44-E504 IonicContact NH2-OE2 3.83Å
45S88.3Confident82.3Confident1 Ų140.2 Ų40.21%0.00722%0.216CC..  trans-72.4144.1176.269.10000111L41 I42 E43 L47 S48 F64L41-S45 WeakPolarHBondContact O-CB 3.12Å; L41-S45 PolarHBondContact O-N 2.93Å; I42-S45 PolarHBondContact O-N 3.49Å; I42-S45 PolarHBondContact O-OG 3.32Å; E43-S45 VanDerWaalsContact C-N 3.32Å; S45-L47 VanDerWaalsContact C-N 3.3Å; S45-L47 PolarHBondContact OG-O 3.01Å; S45-S48 WeakPolarHBondContact OG-CB 3.42Å; S45-F64 WeakPolarHBondContact CB-O 3.31Å
46V89.3Confident83.3Confident8 Ų837.9 Ų37.95%0.04821%0.205CC..SBendtrans-75.1-27.8177.2177.60000110.8F64 E66 A604 M608V46-F64 PolarHBondContact N-O 3.49Å; V46-E66 HydrophobicContact CG2-CG 4Å; V46-A604 HydrophobicContact CG2-CB 3.94Å; V46-M608 HydrophobicContact CG1-CB 3.83Å; V46-M608 HydrophobicContact CG1-CE 4.12Å; V46-M608 HydrophobicContact CG1-CG 3.39Å; V46-M608 HydrophobicContact CG1-SD 4.44Å; V46-M608 WeakPolarHBondContact O-CB 3.43Å
47L88Confident84.1Confident4 Ų438.1 Ų38.12%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-145.3138170.8-179.367000108.6S45 L49 F64 A108 V111S45-L47 VanDerWaalsContact C-N 3.3Å; S45-L47 PolarHBondContact OG-O 3.01Å; L47-L49 HydrophobicContact CD1-CD2 3.86Å; L47-L49 HydrophobicContact CD1-CG 4.41Å; L47-L49 HydrophobicContact CD2-CD1 4.08Å; L47-L49 HydrophobicContact CD2-CD2 4.43Å; L47-L49 HydrophobicContact CD2-CG 4.28Å; L47-L49 HydrophobicContact CG-CD1 4.39Å; L47-L49 HydrophobicContact CG-CD2 4.03Å; L47-L49 HydrophobicContact CG-CG 4.03Å; L47-F64 HydrophobicContact CB-CB 3.98Å; L47-F64 HydrophobicContact CB-CD2 4.1Å; L47-F64 HydrophobicContact CB-CG 4.2Å; L47-F64 HydrophobicContact CD2-CD2 4.23Å; L47-F64 HydrophobicContact CD2-CE2 4.43Å; L47-F64 HydrophobicContact CD2-CG 4.45Å; L47-F64 HydrophobicContact CG-CD2 4.15Å; L47-F64 WeakPolarHBondContact O-CB 3.15Å; L47-F64 VanDerWaalsContact O-CD2 3.31Å; L47-F64 WeakPolarHBondContact O-CD2 3.43Å; L47-F64 PolarHBondContact O-N 3.21Å; L47-A108 HydrophobicContact CD2-CB 4.15Å; L47-V111 HydrophobicContact CD1-CG1 4.16Å; L47-V111 HydrophobicContact CD2-CG1 4.45Å
48S87.6Confident84.3Confident10 Ų1036.2 Ų36.27%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-134.8125.6175.2-157.90000110.2R12 S13 S45 H61 A62 C63R12-S48 WeakPolarHBondContact CA-O 3.15Å; S13-S48 WeakPolarHBondContact CB-OG 3.21Å; S13-S48 PolarHBondContact N-O 3.12Å; S13-S48 VanDerWaalsContact OG-C 3.26Å; S13-S48 PolarHBondContact OG-O 3.05Å; S13-S48 PolarHBondContact OG-OG 3.2Å; S45-S48 WeakPolarHBondContact OG-CB 3.42Å; S48-H61 PolarHBondContact OG-NE2 3.24Å; S48-A62 CarbonylContact C-O 3.56Å; S48-A62 VanDerWaalsContact CA-O 3.31Å; S48-A62 WeakPolarHBondContact CA-O 3.4Å; S48-C63 PolarHBondContact OG-SG 3.25Å
49L87.3Confident84.3Confident0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-127.5145.8-172.1-54.3179.1000112.7R11 R12 S13 L47 H61 A62 F64 L104 M107 A108R11-L49 WeakPolarHBondContact O-CA 3.33Å; R12-L49 HydrophobicContact CG-CD2 4.06Å; S13-L49 WeakPolarHBondContact OG-CA 3.24Å; S13-L49 PolarHBondContact OG-N 2.76Å; S13-L49 VanDerWaalsContact OG-N 3.14Å; S13-L49 PolarHBondContact OG-O 3.32Å; L47-L49 HydrophobicContact CD1-CD2 3.86Å; L47-L49 HydrophobicContact CD1-CG 4.41Å; L47-L49 HydrophobicContact CD2-CD1 4.08Å; L47-L49 HydrophobicContact CD2-CD2 4.43Å; L47-L49 HydrophobicContact CD2-CG 4.28Å; L47-L49 HydrophobicContact CG-CD1 4.39Å; L47-L49 HydrophobicContact CG-CD2 4.03Å; L47-L49 HydrophobicContact CG-CG 4.03Å; L49-H61 CarbonylContact O-C 3.59Å; L49-H61 VanDerWaalsContact O-CA 3.29Å; L49-H61 WeakPolarHBondContact O-CA 3.45Å; L49-H61 PolarHBondContact O-CD2 2.71Å; L49-A62 PolarHBondContact N-O 2.98Å; L49-A62 PolarHBondContact O-N 3.38Å; L49-F64 HydrophobicContact CD1-CE2 3.89Å; L49-F64 HydrophobicContact CD1-CZ 4.21Å; L49-F64 HydrophobicContact CG-CE2 4.09Å; L49-L104 HydrophobicContact CB-CB 4.31Å; L49-L104 HydrophobicContact CB-CD1 3.93Å; L49-L104 HydrophobicContact CB-CD2 3.5Å; L49-L104 HydrophobicContact CB-CG 4.1Å; L49-L104 HydrophobicContact CD1-CB 4.12Å; L49-L104 HydrophobicContact CD1-CD2 4.23Å; L49-L104 VanDerWaalsContact O-CD1 3.32Å; L49-L104 WeakPolarHBondContact O-CD1 3.19Å; L49-M107 HydrophobicContact CD1-CB 4.25Å; L49-M107 HydrophobicContact CD1-CE 3.73Å; L49-M107 HydrophobicContact CD2-CE 3.08Å; L49-M107 HydrophobicContact CG-CE 4.03Å; L49-A108 HydrophobicContact CD1-CB 4.1Å
50C86.4Confident84.1Confident0 Ų035.9 Ų35.90%019%0.189CC..EExtended strand (participates in β ladder)trans-122.3142.2178.8-80.90000110I10 R11 S13 D17 L58 G60I10-C50 WeakPolarHBondContact CA-O 3.47Å; R11-C50 HydrophobicContact CG-CB 4.31Å; R11-C50 PolarHBondContact N-O 3.39Å; R11-C50 PolarHBondContact O-N 3.03Å; R11-C50 VanDerWaalsContact O-O 3.1Å; S13-C50 VanDerWaalsContact CA-SG 3.58Å; S13-C50 VanDerWaalsContact CB-SG 3.59Å; S13-C50 PolarHBondContact OG-SG 3.18Å; D17-C50 PolarHBondContact OD2-SG 2.88Å; D17-C50 VanDerWaalsContact OD2-SG 3.38Å; C50-L58 HydrophobicContact CB-CD1 3.36Å; C50-L58 WeakPolarHBondContact SG-CD1 3.37Å; C50-G60 CarbonylContact C-O 3.55Å; C50-G60 WeakPolarHBondContact CA-O 3.5Å
51V84Confident84Confident3 Ų335.5 Ų35.52%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-112.5125.3170-1730000108.2F8 E9 I10 L58 V59 G60 A103 L104F8-V51 HydrophobicContact CB-CG1 3.9Å; F8-V51 HydrophobicContact CD1-CG1 4.1Å; F8-V51 HydrophobicContact CG-CG1 4.25Å; E9-V51 WeakPolarHBondContact O-CA 3.4Å; I10-V51 HydrophobicContact CG1-CG1 4.49Å; I10-V51 HydrophobicContact CG1-CG2 4.28Å; V51-L58 CarbonylContact O-C 3.54Å; V51-L58 WeakPolarHBondContact O-CA 3.48Å; V51-L58 WeakPolarHBondContact O-CD1 3.36Å; V51-V59 HydrophobicContact CB-CG2 3.85Å; V51-V59 HydrophobicContact CG1-CG2 3.56Å; V51-V59 WeakPolarHBondContact O-CG2 3.41Å; V51-V59 PolarHBondContact O-N 3.43Å; V51-G60 PolarHBondContact N-O 2.74Å; V51-G60 PolarHBondContact O-N 2.96Å; V51-A103 HydrophobicContact CG2-CB 4.23Å; V51-L104 HydrophobicContact CG2-CD1 4.2Å; V51-L104 HydrophobicContact CG2-CD2 3.27Å; V51-L104 HydrophobicContact CG2-CG 3.69Å
52T83.3Confident84Confident4 Ų433.6 Ų33.63%0.02518%0.175CC..EExtended strand (participates in β ladder)trans-113.1145.5173.849.10000111F8 E9 N57 L58F8-T52 CarbonylContact C-O 3.6Å; F8-T52 VanDerWaalsContact CA-O 3.23Å; F8-T52 WeakPolarHBondContact CA-O 3.32Å; E9-T52 PolarHBondContact N-O 3.35Å; E9-T52 PolarHBondContact O-N 3.42Å; E9-T52 PolarHBondContact O-OG1 2.87Å; T52-N57 CarbonylContact C-O 3.57Å; T52-N57 WeakPolarHBondContact CA-O 3.46Å; T52-L58 HydrophobicContact CG2-CD1 4.21Å
53D82.3Confident83.9Confident34 Ų3433.7 Ų33.718%0.18218%0.176CC..EExtended strand (participates in β ladder)trans-76.4179169.266.213.5000111.9F8 D55 K56 N57 V59F8-D53 HydrophobicContact CD1-CB 4.08Å; F8-D53 HydrophobicContact CE1-CB 3.88Å; D53-D55 PolarHBondContact O-N 3.03Å; D53-D55 VanDerWaalsContact OD1-C 3.29Å; D53-D55 WeakPolarHBondContact OD1-CA 3.26Å; D53-D55 PolarHBondContact OD1-N 3.1Å; D53-K56 PolarHBondContact O-N 3.05Å; D53-K56 PolarHBondContact OD1-N 2.82Å; D53-K56 VanDerWaalsContact OD1-N 3.07Å; D53-N57 PolarHBondContact N-O 2.96Å; D53-N57 WeakPolarHBondContact OD1-CB 3.18Å; D53-N57 PolarHBondContact OD1-N 2.89Å; D53-N57 WeakPolarHBondContact OD2-CB 3.38Å; D53-N57 PolarHBondContact OD2-ND2 2.9Å; D53-V59 HydrophobicContact CB-CG1 4.14Å
54S79.6Confident84Confident87 Ų8733.3 Ų33.361%0.60817%0.174SC*.THydrogen-bonded Turntrans-58.2-24176.253.10000113.9L7 K56L7-S54 PolarHBondContact O-N 3.45Å; S54-K56 VanDerWaalsContact C-N 3.29Å
55D79.1Confident84Confident121 Ų12130.9 Ų30.965%0.64717%0.165SC*.THydrogen-bonded Turntrans-91.39.4178.2-61.6-28.8000112.1D53 N57D53-D55 PolarHBondContact O-N 3.03Å; D53-D55 VanDerWaalsContact OD1-C 3.29Å; D53-D55 WeakPolarHBondContact OD1-CA 3.26Å; D53-D55 PolarHBondContact OD1-N 3.1Å; D55-N57 PolarHBondContact O-N 2.84Å
56K78.2Confident83.9Confident158 Ų15831.3 Ų31.369%0.68717%0.167SC*.  trans63.418.3-176.6-57.1-176.2175.5-176.40114.8D53 S54D53-K56 PolarHBondContact O-N 3.05Å; D53-K56 PolarHBondContact OD1-N 2.82Å; D53-K56 VanDerWaalsContact OD1-N 3.07Å; S54-K56 VanDerWaalsContact C-N 3.29Å
57N82Confident83.9Confident85 Ų8532.9 Ų32.946%0.45517%0.174SC..  trans-80.2134.2172.3-57.4-60.7000110.6T52 D53 D55 V59T52-N57 CarbonylContact C-O 3.57Å; T52-N57 WeakPolarHBondContact CA-O 3.46Å; D53-N57 PolarHBondContact N-O 2.96Å; D53-N57 WeakPolarHBondContact OD1-CB 3.18Å; D53-N57 PolarHBondContact OD1-N 2.89Å; D53-N57 WeakPolarHBondContact OD2-CB 3.38Å; D53-N57 PolarHBondContact OD2-ND2 2.9Å; D55-N57 PolarHBondContact O-N 2.84Å; N57-V59 PolarHBondContact O-N 2.77Å
58L82Confident83.7Confident13 Ų1332.8 Ų32.87%0.06817%0.173CC..EExtended strand (participates in β ladder)trans-70.5119176.1-170.178.6000111.6Q20 I21 L24 C50 V51 T52Q20-L58 HydrophobicContact CB-CB 3.94Å; Q20-L58 HydrophobicContact CB-CD2 3.94Å; I21-L58 HydrophobicContact CB-CD2 4.23Å; I21-L58 HydrophobicContact CD1-CD2 4.41Å; I21-L58 HydrophobicContact CG1-CD2 3.3Å; L24-L58 HydrophobicContact CD1-CD2 3.88Å; L24-L58 HydrophobicContact CD1-CG 3.99Å; C50-L58 HydrophobicContact CB-CD1 3.36Å; C50-L58 WeakPolarHBondContact SG-CD1 3.37Å; V51-L58 CarbonylContact O-C 3.54Å; V51-L58 WeakPolarHBondContact O-CA 3.48Å; V51-L58 WeakPolarHBondContact O-CD1 3.36Å; T52-L58 HydrophobicContact CG2-CD1 4.21Å
59V80.3Confident83.2Confident51 Ų5136.5 Ų36.531%0.30919%0.193SC..EExtended strand (participates in β ladder)trans-107.5-15179.2-63.30000113.5M1 F8 V51 D53 N57M1-V59 HydrophobicContact CE-CG2 3.93Å; F8-V59 HydrophobicContact CD1-CG2 3.82Å; F8-V59 HydrophobicContact CE1-CG1 4.35Å; F8-V59 HydrophobicContact CE1-CG2 3.86Å; V51-V59 HydrophobicContact CB-CG2 3.85Å; V51-V59 HydrophobicContact CG1-CG2 3.56Å; V51-V59 WeakPolarHBondContact O-CG2 3.41Å; V51-V59 PolarHBondContact O-N 3.43Å; D53-V59 HydrophobicContact CB-CG1 4.14Å; N57-V59 PolarHBondContact O-N 2.77Å
60G78.1Confident82.6Confident3 Ų337.3 Ų37.33%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-160.6152.8-179.500000113.7C50 V51C50-G60 CarbonylContact C-O 3.55Å; C50-G60 WeakPolarHBondContact CA-O 3.5Å; V51-G60 PolarHBondContact N-O 2.74Å; V51-G60 PolarHBondContact O-N 2.96Å
61H82.6Confident82Confident25 Ų2543.6 Ų43.612%0.11624%0.242CC..EExtended strand (participates in β ladder)trans-146.3142.4179.8175.9-108.9000111.3S13 I21 S48 L49 C63 L101 L104S13-H61 PolarHBondContact OG-CD2 3.02Å; S13-H61 PolarHBondContact OG-NE2 3.4Å; S13-H61 VanDerWaalsContact OG-NE2 3.15Å; I21-H61 HydrophobicContact CD1-CB 4.41Å; I21-H61 HydrophobicContact CG1-CB 4.07Å; I21-H61 HydrophobicContact CG2-CB 4.13Å; S48-H61 PolarHBondContact OG-NE2 3.24Å; L49-H61 CarbonylContact O-C 3.59Å; L49-H61 VanDerWaalsContact O-CA 3.29Å; L49-H61 WeakPolarHBondContact O-CA 3.45Å; L49-H61 PolarHBondContact O-CD2 2.71Å; H61-C63 PolarHBondContact CE1-SG 3.03Å; H61-L101 WeakPolarHBondContact O-CB 3.33Å; H61-L101 WeakPolarHBondContact O-CD2 3.37Å; H61-L104 VanDerWaalsContact C-CD1 3.47Å
62A83.3Confident81.6Confident0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-142.6136.1173.900000112.5S48 L49 F64 H100 L104S48-A62 CarbonylContact C-O 3.56Å; S48-A62 VanDerWaalsContact CA-O 3.31Å; S48-A62 WeakPolarHBondContact CA-O 3.4Å; L49-A62 PolarHBondContact N-O 2.98Å; L49-A62 PolarHBondContact O-N 3.38Å; A62-F64 HydrophobicContact CB-CD2 4.36Å; A62-F64 HydrophobicContact CB-CE2 3.6Å; A62-F64 HydrophobicContact CB-CZ 4.14Å; A62-H100 WeakPolarHBondContact CA-O 3.44Å; A62-H100 WeakPolarHBondContact CB-O 3.23Å; A62-L104 HydrophobicContact CB-CB 4.04Å; A62-L104 HydrophobicContact CB-CD1 3.28Å; A62-L104 HydrophobicContact CB-CG 4.25Å
63C85.3Confident81.5Confident5 Ų548.5 Ų48.53%0.03426%0.263CS..EExtended strand (participates in β ladder)trans-109.5141.5166.4-72.50000110.2L41 S48 H61 Y65 H100L41-C63 PolarHBondContact O-SG 3.15Å; L41-C63 VanDerWaalsContact O-SG 3.34Å; S48-C63 PolarHBondContact OG-SG 3.25Å; H61-C63 PolarHBondContact CE1-SG 3.03Å; C63-Y65 HydrophobicContact CB-CE2 3.85Å; C63-H100 PolarHBondContact O-N 2.86Å
64F88.6Confident81.5Confident0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-119.4136.3-176.1-62.6-110000111.2S45 V46 L47 L49 A62 L97 F98 I99 L104 A108 I118S45-F64 WeakPolarHBondContact CB-O 3.31Å; V46-F64 PolarHBondContact N-O 3.49Å; L47-F64 HydrophobicContact CB-CB 3.98Å; L47-F64 HydrophobicContact CB-CD2 4.1Å; L47-F64 HydrophobicContact CB-CG 4.2Å; L47-F64 HydrophobicContact CD2-CD2 4.23Å; L47-F64 HydrophobicContact CD2-CE2 4.43Å; L47-F64 HydrophobicContact CD2-CG 4.45Å; L47-F64 HydrophobicContact CG-CD2 4.15Å; L47-F64 WeakPolarHBondContact O-CB 3.15Å; L47-F64 VanDerWaalsContact O-CD2 3.31Å; L47-F64 WeakPolarHBondContact O-CD2 3.43Å; L47-F64 PolarHBondContact O-N 3.21Å; L49-F64 HydrophobicContact CD1-CE2 3.89Å; L49-F64 HydrophobicContact CD1-CZ 4.21Å; L49-F64 HydrophobicContact CG-CE2 4.09Å; A62-F64 HydrophobicContact CB-CD2 4.36Å; A62-F64 HydrophobicContact CB-CE2 3.6Å; A62-F64 HydrophobicContact CB-CZ 4.14Å; F64-L97 HydrophobicContact CB-CD1 4.33Å; F64-L97 HydrophobicContact CD1-CB 4.32Å; F64-L97 HydrophobicContact CD1-CD1 4.06Å; F64-F98 VanDerWaalsContact CA-O 3.27Å; F64-F98 WeakPolarHBondContact CA-O 3.45Å; F64-I99 HydrophobicContact CD1-CD1 4.02Å; F64-I99 HydrophobicContact CD1-CG1 3.38Å; F64-I99 HydrophobicContact CE1-CD1 3.19Å; F64-I99 HydrophobicContact CE1-CG1 3.09Å; F64-I99 HydrophobicContact CE2-CG1 4.37Å; F64-I99 HydrophobicContact CG-CG1 4.17Å; F64-I99 HydrophobicContact CZ-CD1 3.48Å; F64-I99 VanDerWaalsContact CZ-CD1 3.48Å; F64-I99 HydrophobicContact CZ-CG1 3.61Å; F64-L104 HydrophobicContact CZ-CB 4.44Å; F64-A108 HydrophobicContact CD1-CB 4.27Å; F64-A108 HydrophobicContact CE1-CB 3.29Å; F64-A108 HydrophobicContact CE2-CB 4.21Å; F64-A108 HydrophobicContact CZ-CB 3.3Å; F64-I118 HydrophobicContact CE1-CD1 4.18Å
65Y87.7Confident81.7Confident37 Ų3749.4 Ų49.415%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-129.9155.9-178.9-70.3-96.9000111L41 R44 C63 H67 L97 F98L41-Y65 VanDerWaalsContact CA-OH 3.3Å; L41-Y65 WeakPolarHBondContact CA-OH 3.43Å; L41-Y65 PolarHBondContact O-OH 2.7Å; R44-Y65 HydrophobicContact CB-CE1 4.3Å; R44-Y65 WeakPolarHBondContact O-CE1 3.17Å; C63-Y65 HydrophobicContact CB-CE2 3.85Å; Y65-H67 VanDerWaalsContact C-N 3.31Å; Y65-L97 CarbonylContact O-C 3.59Å; Y65-L97 WeakPolarHBondContact O-CA 3.34Å; Y65-L97 WeakPolarHBondContact O-CD2 3.34Å; Y65-F98 PolarHBondContact N-O 3.09Å; Y65-F98 PolarHBondContact O-N 3.22Å
66E87.5Confident81.8Confident10 Ų1046.4 Ų46.45%0.04725%0.246CC..SBendtrans-86.1-2.2178.9-71.7170.217900113.8V46 W78 L97 R526V46-E66 HydrophobicContact CG2-CG 4Å; E66-W78 PolarHBondContact O-NE1 2.76Å; E66-L97 HydrophobicContact CG-CD2 4.14Å; E66-R526 IonicContact OE1-CZ 3.61Å; E66-R526 IonicContact OE1-NE 2.91Å; E66-R526 PolarHBondContact OE1-NE 3.39Å; E66-R526 IonicContact OE1-NH2 3.32Å; E66-R526 PolarHBondContact OE1-NH2 2.9Å
67H87.8Confident82.1Confident40 Ų4043.1 Ų43.119%0.18524%0.236CC..SBendtrans-138.2156.4179.964.685.3000110.7Y65 E75 W78 F98Y65-H67 VanDerWaalsContact C-N 3.31Å; H67-E75 IonicContact CE1-OE1 3.75Å; H67-W78 HydrophobicContact CB-CG 4.48Å; H67-F98 VanDerWaalsContact O-CD2 3.29Å; H67-F98 WeakPolarHBondContact O-CD2 3.25Å; H67-F98 WeakPolarHBondContact O-CG 3.26Å
68P85.8Confident82.4Confident2 Ų239.1 Ų39.11%0.01322%0.215CC..  trans-57.9141.6174.8-20.929.3000111.8S70 F73 W78 F82 F98P68-S70 PolarHBondContact O-N 3.21Å; P68-F73 HydrophobicContact CB-CB 4.09Å; P68-F73 HydrophobicContact CB-CD2 3.59Å; P68-F73 HydrophobicContact CB-CE2 4.38Å; P68-F73 HydrophobicContact CB-CG 4.07Å; P68-F73 HydrophobicContact CG-CB 3.79Å; P68-F73 HydrophobicContact CG-CD2 3.77Å; P68-F73 HydrophobicContact CG-CG 3.78Å; P68-W78 HydrophobicContact CG-CB 4.24Å; P68-W78 HydrophobicContact CG-CD2 4.19Å; P68-W78 HydrophobicContact CG-CE3 4.09Å; P68-W78 HydrophobicContact CG-CG 4.27Å; P68-F82 HydrophobicContact CG-CD2 4.06Å; P68-F82 HydrophobicContact CG-CE2 4.33Å; P68-F98 HydrophobicContact CB-CD1 4.16Å; P68-F98 HydrophobicContact CB-CE1 3.91Å; P68-F98 HydrophobicContact CB-CZ 4.26Å; P68-F98 HydrophobicContact CG-CD1 4.26Å; P68-F98 HydrophobicContact CG-CE1 3.57Å; P68-F98 HydrophobicContact CG-CE2 4.08Å; P68-F98 HydrophobicContact CG-CZ 3.47Å; P68-F98 VanDerWaalsContact CG-CZ 3.47Å
69N75.2Confident82.6Confident89 Ų8940.2 Ų40.248%0.47622%0.22SC..SBendtrans-8160170.2-170.19.7000110.4
70S75.8Confident82.9Confident17 Ų1742.3 Ų42.312%0.11923%0.234CC..SBendtrans-149131.3176.4174.10000109.2P68 K72 F73P68-S70 PolarHBondContact O-N 3.21Å; S70-K72 PolarHBondContact O-N 3.08Å; S70-K72 VanDerWaalsContact O-N 3.07Å; S70-K72 PolarHBondContact OG-N 3.29Å; S70-F73 PolarHBondContact O-N 3.4Å; S70-F73 VanDerWaalsContact O-N 3.14Å
71S72.7Confident83.3Confident131 Ų13145.7 Ų45.792%0.91625%0.25SS*.THydrogen-bonded Turntrans-62.4-13.9178.153.70000113.8F73S71-F73 VanDerWaalsContact C-N 3.31Å
72K75.7Confident83.6Confident102 Ų10244.5 Ų44.544%0.44325%0.245SC..THydrogen-bonded Turntrans-68.1-29.8175.2-65.6-173178.1-173.40112.8S70 E146S70-K72 PolarHBondContact O-N 3.08Å; S70-K72 VanDerWaalsContact O-N 3.07Å; S70-K72 PolarHBondContact OG-N 3.29Å; K72-E146 IonicContact NZ-OE1 3.3Å; K72-E146 PolarHBondContact NZ-OE1 3Å; K72-E146 IonicContact NZ-OE2 3.72Å; K72-E146 PolarHBondContact NZ-OE2 2.74Å
73F82.9Confident83.8Confident8 Ų845.8 Ų45.84%0.03525%0.254CS..SBendtrans-101.6116.8-176.5-62.8-73000109.8P68 S70 S71 E75 W78 L81 F82 I85 Y86P68-F73 HydrophobicContact CB-CB 4.09Å; P68-F73 HydrophobicContact CB-CD2 3.59Å; P68-F73 HydrophobicContact CB-CE2 4.38Å; P68-F73 HydrophobicContact CB-CG 4.07Å; P68-F73 HydrophobicContact CG-CB 3.79Å; P68-F73 HydrophobicContact CG-CD2 3.77Å; P68-F73 HydrophobicContact CG-CG 3.78Å; S70-F73 PolarHBondContact O-N 3.4Å; S70-F73 VanDerWaalsContact O-N 3.14Å; S71-F73 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 2.82Å; F73-W78 HydrophobicContact CB-CB 3.87Å; F73-L81 HydrophobicContact CD1-CB 4.34Å; F73-L81 HydrophobicContact CD1-CD2 3.99Å; F73-L81 HydrophobicContact CD1-CG 4.15Å; F73-L81 HydrophobicContact CE1-CB 4.43Å; F73-L81 HydrophobicContact CE1-CD2 4.16Å; F73-L81 HydrophobicContact CE1-CG 3.99Å; F73-F82 HydrophobicContact CD1-CB 4.18Å; F73-F82 HydrophobicContact CD1-CD2 4.34Å; F73-F82 HydrophobicContact CE1-CB 3.9Å; F73-F82 AromaticContact CE1-CD2 3.9Å; F73-F82 HydrophobicContact CE1-CD2 3.9Å; F73-F82 HydrophobicContact CE1-CG 4.38Å; F73-F82 HydrophobicContact CE2-CD2 4.14Å; F73-F82 AromaticContact CZ-CD2 3.8Å; F73-F82 HydrophobicContact CZ-CD2 3.8Å; F73-I85 HydrophobicContact CE1-CD1 4.01Å; F73-I85 HydrophobicContact CZ-CD1 4.11Å; F73-Y86 HydrophobicContact CE2-CE2 4.46Å; F73-Y86 AromaticContact CZ-CE2 3.88Å; F73-Y86 HydrophobicContact CZ-CE2 3.88Å
74P82.1Confident83.9Confident67 Ų6750.9 Ų50.944%0.43528%0.277SS..  trans-67.2129.6177.527.3-32000109.7N76 D77 W78P74-N76 PolarHBondContact O-N 2.89Å; P74-D77 WeakPolarHBondContact CG-O 3.29Å; P74-D77 CarbonylContact O-C 3.49Å; P74-D77 PolarHBondContact O-N 2.95Å; P74-D77 VanDerWaalsContact O-N 3.11Å; P74-W78 WeakPolarHBondContact O-CB 3.49Å; P74-W78 PolarHBondContact O-N 2.9Å
75E82.5Confident83.8Confident73 Ų7351.8 Ų51.834%0.34128%0.282SS..THydrogen-bonded Turntrans-51.1-30.9-177.6-67.7175.9-176.900113.6H67 F73 R530H67-E75 IonicContact CE1-OE1 3.75Å; F73-E75 PolarHBondContact O-N 2.82Å; E75-R530 WeakPolarHBondContact O-CG 3.17Å; E75-R530 PolarHBondContact O-NH1 3.16Å
76N81.9Confident83.8Confident58 Ų5850.1 Ų50.131%0.3128%0.276SS..THydrogen-bonded Turntrans-84.5-24.1-173.5-61.78.2000114P74 R530 Q531 K533P74-N76 PolarHBondContact O-N 2.89Å; N76-R530 PolarHBondContact O-NH1 3.25Å; N76-R530 PolarHBondContact O-NH2 3.27Å; N76-R530 PolarHBondContact OD1-O 2.79Å; N76-R530 VanDerWaalsContact OD1-O 3.1Å; N76-Q531 VanDerWaalsContact CG-O 3.3Å; N76-Q531 PolarHBondContact ND2-O 3.41Å; N76-Q531 PolarHBondContact OD1-O 2.93Å; N76-K533 WeakPolarHBondContact OD1-CE 3.23Å
77D83.9Confident83.5Confident90 Ų9052.6 Ų52.648%0.48129%0.293SS..SBendtrans-155.458.5-171.4-172.911.8000110.1P74 T80P74-D77 WeakPolarHBondContact CG-O 3.29Å; P74-D77 CarbonylContact O-C 3.49Å; P74-D77 PolarHBondContact O-N 2.95Å; P74-D77 VanDerWaalsContact O-N 3.11Å; D77-T80 PolarHBondContact OD1-OG1 3Å
78W88.5Confident83.2Confident0 Ų051.6 Ų51.60%029%0.29CS..  trans-85-29.2-175.263-101000112.7E66 H67 P68 F73 P74 L81 F82 I91 F98E66-W78 PolarHBondContact O-NE1 2.76Å; H67-W78 HydrophobicContact CB-CG 4.48Å; P68-W78 HydrophobicContact CG-CB 4.24Å; P68-W78 HydrophobicContact CG-CD2 4.19Å; P68-W78 HydrophobicContact CG-CE3 4.09Å; P68-W78 HydrophobicContact CG-CG 4.27Å; F73-W78 HydrophobicContact CB-CB 3.87Å; P74-W78 WeakPolarHBondContact O-CB 3.49Å; P74-W78 PolarHBondContact O-N 2.9Å; W78-L81 PolarHBondContact O-N 2.95Å; W78-F82 HydrophobicContact CE3-CB 3.68Å; W78-F82 HydrophobicContact CE3-CD1 4.38Å; W78-F82 HydrophobicContact CE3-CD2 4.4Å; W78-F82 AromaticContact CE3-CG 3.93Å; W78-F82 HydrophobicContact CE3-CG 3.93Å; W78-F82 HydrophobicContact CZ3-CB 4.01Å; W78-F82 AromaticContact CZ3-CD1 3.89Å; W78-F82 HydrophobicContact CZ3-CD1 3.89Å; W78-F82 HydrophobicContact CZ3-CE1 4.47Å; W78-F82 AromaticContact CZ3-CG 3.92Å; W78-F82 HydrophobicContact CZ3-CG 3.92Å; W78-F82 WeakPolarHBondContact O-CB 3.15Å; W78-F82 PolarHBondContact O-N 2.86Å; W78-I91 HydrophobicContact CH2-CG2 3.55Å; W78-I91 HydrophobicContact CZ3-CG2 3.68Å; W78-F98 HydrophobicContact CD2-CE2 4.32Å; W78-F98 HydrophobicContact CD2-CZ 4.27Å; W78-F98 AromaticContact CE2-CE2 3.9Å; W78-F98 HydrophobicContact CE3-CE2 4.37Å; W78-F98 AromaticContact CE3-CZ 3.9Å; W78-F98 HydrophobicContact CE3-CZ 3.9Å; W78-F98 AromaticContact CH2-CE2 3.73Å; W78-F98 HydrophobicContact CH2-CE2 3.73Å; W78-F98 AromaticContact CH2-CZ 3.63Å; W78-F98 HydrophobicContact CH2-CZ 3.63Å; W78-F98 AromaticContact CZ2-CE2 3.59Å; W78-F98 HydrophobicContact CZ2-CE2 3.59Å; W78-F98 AromaticContact CZ2-CZ 3.95Å; W78-F98 HydrophobicContact CZ2-CZ 3.95Å; W78-F98 HydrophobicContact CZ3-CE2 4.12Å; W78-F98 AromaticContact CZ3-CZ 3.59Å; W78-F98 HydrophobicContact CZ3-CZ 3.59Å
79D87.5Confident82.8Confident36 Ų3657.9 Ų57.919%0.19332%0.323CS..Hα-helixtrans-64.6-44.4-168.454.9-38.1000112.3L81 F82 S83 I91 T93D79-L81 PolarHBondContact O-N 3.31Å; D79-F82 PolarHBondContact O-N 2.82Å; D79-S83 WeakPolarHBondContact O-CB 3.41Å; D79-S83 PolarHBondContact O-N 2.83Å; D79-S83 PolarHBondContact O-OG 3.21Å; D79-I91 HydrophobicContact CB-CG2 4.48Å; D79-T93 HydrophobicContact CB-CG2 4.24Å
80T86Confident83.1Confident96 Ų9660 Ų6059%0.58934%0.335SS*.Hα-helixtrans-58.6-48.2178.5-52.90000112.1D77 H84D77-T80 PolarHBondContact OD1-OG1 3Å; T80-H84 WeakPolarHBondContact O-CB 3.36Å; T80-H84 PolarHBondContact O-N 3.06Å
81L85.9Confident83.6Confident73 Ų7359.9 Ų59.938%0.38233%0.332SS..Hα-helixtrans-70.7-40.5-179.9-178.462000111.4F73 W78 D79 H84 I85F73-L81 HydrophobicContact CD1-CB 4.34Å; F73-L81 HydrophobicContact CD1-CD2 3.99Å; F73-L81 HydrophobicContact CD1-CG 4.15Å; F73-L81 HydrophobicContact CE1-CB 4.43Å; F73-L81 HydrophobicContact CE1-CD2 4.16Å; F73-L81 HydrophobicContact CE1-CG 3.99Å; W78-L81 PolarHBondContact O-N 2.95Å; D79-L81 PolarHBondContact O-N 3.31Å; L81-H84 WeakPolarHBondContact O-CB 3.31Å; L81-H84 PolarHBondContact O-N 2.97Å; L81-I85 HydrophobicContact CD1-CD1 3.9Å; L81-I85 HydrophobicContact CD1-CG1 4.3Å; L81-I85 HydrophobicContact CG-CD1 3.9Å; L81-I85 WeakPolarHBondContact O-CG1 3.37Å; L81-I85 PolarHBondContact O-N 3.32Å
82F88.8Confident84.2Confident0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-64.6-46.3-179.9-171.6-89.3000111.9P68 F73 W78 D79 H84 I85 Y86 I91 F98 F119 V149P68-F82 HydrophobicContact CG-CD2 4.06Å; P68-F82 HydrophobicContact CG-CE2 4.33Å; F73-F82 HydrophobicContact CD1-CB 4.18Å; F73-F82 HydrophobicContact CD1-CD2 4.34Å; F73-F82 HydrophobicContact CE1-CB 3.9Å; F73-F82 AromaticContact CE1-CD2 3.9Å; F73-F82 HydrophobicContact CE1-CD2 3.9Å; F73-F82 HydrophobicContact CE1-CG 4.38Å; F73-F82 HydrophobicContact CE2-CD2 4.14Å; F73-F82 AromaticContact CZ-CD2 3.8Å; F73-F82 HydrophobicContact CZ-CD2 3.8Å; W78-F82 HydrophobicContact CE3-CB 3.68Å; W78-F82 HydrophobicContact CE3-CD1 4.38Å; W78-F82 HydrophobicContact CE3-CD2 4.4Å; W78-F82 AromaticContact CE3-CG 3.93Å; W78-F82 HydrophobicContact CE3-CG 3.93Å; W78-F82 HydrophobicContact CZ3-CB 4.01Å; W78-F82 AromaticContact CZ3-CD1 3.89Å; W78-F82 HydrophobicContact CZ3-CD1 3.89Å; W78-F82 HydrophobicContact CZ3-CE1 4.47Å; W78-F82 AromaticContact CZ3-CG 3.92Å; W78-F82 HydrophobicContact CZ3-CG 3.92Å; W78-F82 WeakPolarHBondContact O-CB 3.15Å; W78-F82 PolarHBondContact O-N 2.86Å; D79-F82 PolarHBondContact O-N 2.82Å; F82-H84 VanDerWaalsContact C-N 3.3Å; F82-H84 PolarHBondContact O-N 3.28Å; F82-I85 PolarHBondContact O-N 2.94Å; F82-Y86 HydrophobicContact CD1-CD2 4.3Å; F82-Y86 AromaticContact CD2-CD2 3.78Å; F82-Y86 HydrophobicContact CD2-CD2 3.78Å; F82-Y86 AromaticContact CD2-CE2 3.98Å; F82-Y86 HydrophobicContact CD2-CE2 3.98Å; F82-Y86 HydrophobicContact CE1-CD2 4.27Å; F82-Y86 AromaticContact CE2-CD2 3.73Å; F82-Y86 HydrophobicContact CE2-CD2 3.73Å; F82-Y86 AromaticContact CE2-CE2 3.85Å; F82-Y86 HydrophobicContact CE2-CE2 3.85Å; F82-Y86 HydrophobicContact CG-CD2 4.08Å; F82-Y86 HydrophobicContact CZ-CD2 4.01Å; F82-Y86 HydrophobicContact CZ-CE2 4.47Å; F82-Y86 PolarHBondContact O-N 3.46Å; F82-I91 HydrophobicContact CD1-CD1 3.98Å; F82-I91 HydrophobicContact CE1-CD1 3.91Å; F82-F98 AromaticContact CE2-CE1 3.89Å; F82-F98 HydrophobicContact CE2-CE1 3.89Å; F82-F98 HydrophobicContact CE2-CZ 4.39Å; F82-F98 AromaticContact CZ-CE1 3.97Å; F82-F98 HydrophobicContact CZ-CE1 3.97Å; F82-F98 HydrophobicContact CZ-CZ 4.43Å; F82-F119 HydrophobicContact CE1-CD1 4.14Å; F82-F119 HydrophobicContact CE1-CD2 4.36Å; F82-F119 HydrophobicContact CE1-CE1 4.05Å; F82-F119 HydrophobicContact CE1-CE2 4.26Å; F82-F119 HydrophobicContact CE1-CG 4.32Å; F82-F119 HydrophobicContact CE1-CZ 4.14Å; F82-F119 HydrophobicContact CZ-CB 4.49Å; F82-F119 HydrophobicContact CZ-CD1 4.02Å; F82-F119 HydrophobicContact CZ-CD2 4.35Å; F82-F119 HydrophobicContact CZ-CE1 4.4Å; F82-F119 HydrophobicContact CZ-CG 4.02Å; F82-V149 HydrophobicContact CZ-CG1 3.93Å
83S87.9Confident84.6Confident28 Ų2851.8 Ų51.820%0.19629%0.286CS..Hα-helixtrans-60.1-40173.5-82.20000112.3D79 C87 T88D79-S83 WeakPolarHBondContact O-CB 3.41Å; D79-S83 PolarHBondContact O-N 2.83Å; D79-S83 PolarHBondContact O-OG 3.21Å; S83-C87 WeakPolarHBondContact O-CA 3.32Å; S83-C87 PolarHBondContact O-N 2.94Å; S83-T88 WeakPolarHBondContact CA-OG1 3.28Å; S83-T88 WeakPolarHBondContact CB-O 3.35Å; S83-T88 PolarHBondContact O-N 3.2Å; S83-T88 PolarHBondContact OG-O 3.04Å
84H86.8Confident84.6Confident111 Ų11152.8 Ų52.851%0.51429%0.293SS..Hα-helixtrans-62.9-44.4176.3-173.894.7000112.3T80 L81 F82 R142T80-H84 WeakPolarHBondContact O-CB 3.36Å; T80-H84 PolarHBondContact O-N 3.06Å; L81-H84 WeakPolarHBondContact O-CB 3.31Å; L81-H84 PolarHBondContact O-N 2.97Å; F82-H84 VanDerWaalsContact C-N 3.3Å; F82-H84 PolarHBondContact O-N 3.28Å; H84-R142 PolarHBondContact CE1-NH1 3.07Å; H84-R142 PolarHBondContact ND1-NH1 3.36Å; H84-R142 PolarHBondContact NE2-NH1 3.03Å; H84-R142 WeakPolarHBondContact O-CD 2.97Å; H84-R142 VanDerWaalsContact O-CZ 3.28Å; H84-R142 PolarHBondContact O-NE 3.37Å
85I86.6Confident84.9Confident20 Ų2050.4 Ų50.410%0.10328%0.276CS..Hα-helixtrans-74.5-43.1-176.4-68.3171.9000111.7F73 L81 F82 K141 R142 E146F73-I85 HydrophobicContact CE1-CD1 4.01Å; F73-I85 HydrophobicContact CZ-CD1 4.11Å; L81-I85 HydrophobicContact CD1-CD1 3.9Å; L81-I85 HydrophobicContact CD1-CG1 4.3Å; L81-I85 HydrophobicContact CG-CD1 3.9Å; L81-I85 WeakPolarHBondContact O-CG1 3.37Å; L81-I85 PolarHBondContact O-N 3.32Å; F82-I85 PolarHBondContact O-N 2.94Å; I85-K141 WeakPolarHBondContact O-CA 3.19Å; I85-R142 PolarHBondContact O-N 2.89Å; I85-E146 HydrophobicContact CG2-CB 4.33Å; I85-E146 HydrophobicContact CG2-CG 3.96Å
86Y88.2Confident85.3Confident2 Ų247 Ų471%0.00826%0.261CS..Hα-helixtrans-102.312.3-170.8-65.8-69.9000114.7F73 F82 T88 S140 K141 N147 V149F73-Y86 HydrophobicContact CE2-CE2 4.46Å; F73-Y86 AromaticContact CZ-CE2 3.88Å; F73-Y86 HydrophobicContact CZ-CE2 3.88Å; F82-Y86 HydrophobicContact CD1-CD2 4.3Å; F82-Y86 AromaticContact CD2-CD2 3.78Å; F82-Y86 HydrophobicContact CD2-CD2 3.78Å; F82-Y86 AromaticContact CD2-CE2 3.98Å; F82-Y86 HydrophobicContact CD2-CE2 3.98Å; F82-Y86 HydrophobicContact CE1-CD2 4.27Å; F82-Y86 AromaticContact CE2-CD2 3.73Å; F82-Y86 HydrophobicContact CE2-CD2 3.73Å; F82-Y86 AromaticContact CE2-CE2 3.85Å; F82-Y86 HydrophobicContact CE2-CE2 3.85Å; F82-Y86 HydrophobicContact CG-CD2 4.08Å; F82-Y86 HydrophobicContact CZ-CD2 4.01Å; F82-Y86 HydrophobicContact CZ-CE2 4.47Å; F82-Y86 PolarHBondContact O-N 3.46Å; Y86-T88 VanDerWaalsContact C-N 3.29Å; Y86-T88 PolarHBondContact O-N 3.39Å; Y86-S140 CarbonylContact C-O 3.58Å; Y86-S140 VanDerWaalsContact CA-O 3.23Å; Y86-S140 WeakPolarHBondContact CA-O 3.37Å; Y86-K141 HydrophobicContact CD1-CB 3.94Å; Y86-K141 HydrophobicContact CE1-CB 3.95Å; Y86-N147 VanDerWaalsContact CE1-O 3.24Å; Y86-N147 WeakPolarHBondContact CE1-O 3.35Å; Y86-N147 PolarHBondContact OH-O 2.94Å; Y86-V149 HydrophobicContact CD1-CB 4.18Å; Y86-V149 HydrophobicContact CD1-CG2 4.06Å; Y86-V149 HydrophobicContact CD2-CG2 4.26Å; Y86-V149 HydrophobicContact CE1-CB 4Å; Y86-V149 HydrophobicContact CE1-CG2 3.47Å; Y86-V149 VanDerWaalsContact CE1-CG2 3.47Å; Y86-V149 HydrophobicContact CE2-CG2 3.69Å; Y86-V149 HydrophobicContact CG-CG2 4.42Å; Y86-V149 WeakPolarHBondContact OH-CG2 3.35Å
87C81.5Confident85.7Confident61 Ų6144.2 Ų44.241%0.41225%0.246SC..THydrogen-bonded Turntrans49.247175.6-60.40000113.4S83 R142S83-C87 WeakPolarHBondContact O-CA 3.32Å; S83-C87 PolarHBondContact O-N 2.94Å; C87-R142 VanDerWaalsContact SG-CG 3.5Å
88T80.3Confident85.9Confident20 Ų2040.4 Ų40.412%0.12323%0.225CC..  trans-111.2129.7-177.9380000110.8S83 Y86 I91 L139S83-T88 WeakPolarHBondContact CA-OG1 3.28Å; S83-T88 WeakPolarHBondContact CB-O 3.35Å; S83-T88 PolarHBondContact O-N 3.2Å; S83-T88 PolarHBondContact OG-O 3.04Å; Y86-T88 VanDerWaalsContact C-N 3.29Å; Y86-T88 PolarHBondContact O-N 3.39Å; T88-I91 HydrophobicContact CG2-CD1 3.81Å; T88-I91 WeakPolarHBondContact OG1-CD1 3Å; T88-L139 HydrophobicContact CG2-CD1 3.8Å; T88-L139 HydrophobicContact CG2-CD2 3.99Å; T88-L139 HydrophobicContact CG2-CG 4.48Å
89D77.6Confident85.4Confident134 Ų13440.7 Ų40.772%0.71723%0.227SC*.SBendtrans-97.9147.7178.5-60.3-37.5000110.8I91D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 3.2Å
90N82.5Confident83.8Confident133 Ų13341 Ų4171%0.71123%0.227SC*.SBendtrans65.217175.1-49.8-53.8000116.7N95N90-N95 PolarHBondContact O-ND2 3.45Å
91I85.5Confident82.2Confident14 Ų1439.3 Ų39.37%0.07221%0.214CC..  trans-72.4138.9167.9-67.1-176.4000109.3W78 D79 F82 T88 D89 Y117 F119W78-I91 HydrophobicContact CH2-CG2 3.55Å; W78-I91 HydrophobicContact CZ3-CG2 3.68Å; D79-I91 HydrophobicContact CB-CG2 4.48Å; F82-I91 HydrophobicContact CD1-CD1 3.98Å; F82-I91 HydrophobicContact CE1-CD1 3.91Å; T88-I91 HydrophobicContact CG2-CD1 3.81Å; T88-I91 WeakPolarHBondContact OG1-CD1 3Å; D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 3.2Å; I91-Y117 HydrophobicContact CG1-CD2 4.38Å; I91-Y117 HydrophobicContact CG1-CE2 4.48Å; I91-F119 HydrophobicContact CD1-CE1 4.02Å; I91-F119 HydrophobicContact CD1-CE2 3.92Å; I91-F119 HydrophobicContact CD1-CZ 3.27Å; I91-F119 HydrophobicContact CG1-CZ 3.98Å
92T85.1Confident80.6Confident50 Ų5038 Ų3831%0.30721%0.207SC..  trans-137.1165.5169.565.20000109.3T94 N95 S96T92-T94 PolarHBondContact O-N 3.26Å; T92-T94 PolarHBondContact OG1-N 2.85Å; T92-T94 PolarHBondContact OG1-OG1 3.01Å; T92-N95 PolarHBondContact N-OD1 2.78Å; T92-N95 PolarHBondContact O-OD1 3.37Å; T92-N95 PolarHBondContact OG1-N 2.79Å; T92-N95 PolarHBondContact OG1-ND2 2.82Å; T92-N95 PolarHBondContact OG1-OD1 2.9Å; T92-N95 VanDerWaalsContact OG1-OD1 3.1Å; T92-S96 WeakPolarHBondContact O-CB 3.34Å; T92-S96 PolarHBondContact O-OG 2.86Å; T92-S96 VanDerWaalsContact O-OG 3.13Å
93T84.3Confident79Confident14 Ų1439.7 Ų39.79%0.08622%0.221CC..SBendtrans-60.2-24.2173.459.60000113.1D79 E527D79-T93 HydrophobicContact CB-CG2 4.24Å; T93-E527 PolarHBondContact OG1-OE1 3.13Å; T93-E527 PolarHBondContact OG1-OE2 2.69Å
94T82.8Confident78Confident28 Ų2838.3 Ų38.317%0.17221%0.212CC..SBendtrans-90.6-26.4-172.3690000114.3T92 L523 E527T92-T94 PolarHBondContact O-N 3.26Å; T92-T94 PolarHBondContact OG1-N 2.85Å; T92-T94 PolarHBondContact OG1-OG1 3.01Å; T94-L523 HydrophobicContact CG2-CD1 3.74Å; T94-L523 HydrophobicContact CG2-CD2 3.97Å; T94-L523 HydrophobicContact CG2-CG 4.1Å; T94-E527 HydrophobicContact CG2-CG 4.49Å
95N88.4Confident77.5Confident17 Ų1733.3 Ų33.39%0.09119%0.188CC..SBendtrans-104.610.3-174.171.82.4000113.3N90 T92 S114 H116 Y117N90-N95 PolarHBondContact O-ND2 3.45Å; T92-N95 PolarHBondContact N-OD1 2.78Å; T92-N95 PolarHBondContact O-OD1 3.37Å; T92-N95 PolarHBondContact OG1-N 2.79Å; T92-N95 PolarHBondContact OG1-ND2 2.82Å; T92-N95 PolarHBondContact OG1-OD1 2.9Å; T92-N95 VanDerWaalsContact OG1-OD1 3.1Å; N95-S114 WeakPolarHBondContact CA-O 3.46Å; N95-H116 HydrophobicContact CB-CB 4.31Å; N95-H116 PolarHBondContact O-N 3.45Å; N95-Y117 PolarHBondContact O-N 3.17Å
96S91.5Very high77Confident2 Ų237.3 Ų37.31%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-132.6136.6-169.6-62.30000112.1T92 Y117T92-S96 WeakPolarHBondContact O-CB 3.34Å; T92-S96 PolarHBondContact O-OG 2.86Å; T92-S96 VanDerWaalsContact O-OG 3.13Å; S96-Y117 WeakPolarHBondContact CA-O 3.37Å
97L90.4Very high76.6Confident0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-128.7158.5169.6-70.3177.8000110.9F64 Y65 E66 A112 V115 Y117 I118 F119F64-L97 HydrophobicContact CB-CD1 4.33Å; F64-L97 HydrophobicContact CD1-CB 4.32Å; F64-L97 HydrophobicContact CD1-CD1 4.06Å; Y65-L97 CarbonylContact O-C 3.59Å; Y65-L97 WeakPolarHBondContact O-CA 3.34Å; Y65-L97 WeakPolarHBondContact O-CD2 3.34Å; E66-L97 HydrophobicContact CG-CD2 4.14Å; L97-A112 HydrophobicContact CD1-CB 4.12Å; L97-V115 HydrophobicContact CB-CG1 4.2Å; L97-V115 HydrophobicContact CD1-CB 4.39Å; L97-V115 HydrophobicContact CD1-CG1 4.14Å; L97-V115 HydrophobicContact CD1-CG2 3.71Å; L97-V115 HydrophobicContact CG-CB 4.46Å; L97-V115 HydrophobicContact CG-CG1 3.94Å; L97-V115 HydrophobicContact CG-CG2 3.69Å; L97-Y117 PolarHBondContact N-O 2.93Å; L97-I118 HydrophobicContact CB-CG1 4.39Å; L97-I118 CarbonylContact O-C 3.51Å; L97-I118 WeakPolarHBondContact O-CA 3.44Å; L97-F119 PolarHBondContact O-N 2.92Å
98F88.1Confident76.7Confident9 Ų935.6 Ų35.64%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-118.8131.2178.9-63.1-94.5000110.4F64 Y65 H67 P68 W78 F82 F119 V121F64-F98 VanDerWaalsContact CA-O 3.27Å; F64-F98 WeakPolarHBondContact CA-O 3.45Å; Y65-F98 PolarHBondContact N-O 3.09Å; Y65-F98 PolarHBondContact O-N 3.22Å; H67-F98 VanDerWaalsContact O-CD2 3.29Å; H67-F98 WeakPolarHBondContact O-CD2 3.25Å; H67-F98 WeakPolarHBondContact O-CG 3.26Å; P68-F98 HydrophobicContact CB-CD1 4.16Å; P68-F98 HydrophobicContact CB-CE1 3.91Å; P68-F98 HydrophobicContact CB-CZ 4.26Å; P68-F98 HydrophobicContact CG-CD1 4.26Å; P68-F98 HydrophobicContact CG-CE1 3.57Å; P68-F98 HydrophobicContact CG-CE2 4.08Å; P68-F98 HydrophobicContact CG-CZ 3.47Å; P68-F98 VanDerWaalsContact CG-CZ 3.47Å; W78-F98 HydrophobicContact CD2-CE2 4.32Å; W78-F98 HydrophobicContact CD2-CZ 4.27Å; W78-F98 AromaticContact CE2-CE2 3.9Å; W78-F98 HydrophobicContact CE3-CE2 4.37Å; W78-F98 AromaticContact CE3-CZ 3.9Å; W78-F98 HydrophobicContact CE3-CZ 3.9Å; W78-F98 AromaticContact CH2-CE2 3.73Å; W78-F98 HydrophobicContact CH2-CE2 3.73Å; W78-F98 AromaticContact CH2-CZ 3.63Å; W78-F98 HydrophobicContact CH2-CZ 3.63Å; W78-F98 AromaticContact CZ2-CE2 3.59Å; W78-F98 HydrophobicContact CZ2-CE2 3.59Å; W78-F98 AromaticContact CZ2-CZ 3.95Å; W78-F98 HydrophobicContact CZ2-CZ 3.95Å; W78-F98 HydrophobicContact CZ3-CE2 4.12Å; W78-F98 AromaticContact CZ3-CZ 3.59Å; W78-F98 HydrophobicContact CZ3-CZ 3.59Å; F82-F98 AromaticContact CE2-CE1 3.89Å; F82-F98 HydrophobicContact CE2-CE1 3.89Å; F82-F98 HydrophobicContact CE2-CZ 4.39Å; F82-F98 AromaticContact CZ-CE1 3.97Å; F82-F98 HydrophobicContact CZ-CE1 3.97Å; F82-F98 HydrophobicContact CZ-CZ 4.43Å; F98-F119 CarbonylContact C-O 3.53Å; F98-F119 VanDerWaalsContact CA-O 3.3Å; F98-F119 WeakPolarHBondContact CA-O 3.44Å; F98-F119 HydrophobicContact CD1-CB 3.5Å; F98-F119 HydrophobicContact CD1-CD2 4.35Å; F98-F119 HydrophobicContact CD1-CG 4.35Å; F98-F119 HydrophobicContact CE1-CB 3.52Å; F98-F119 AromaticContact CE1-CD2 3.75Å; F98-F119 HydrophobicContact CE1-CD2 3.75Å; F98-F119 AromaticContact CE1-CG 3.91Å; F98-F119 HydrophobicContact CE1-CG 3.91Å; F98-F119 HydrophobicContact CE2-CD2 4.39Å; F98-F119 HydrophobicContact CG-CB 4.34Å; F98-F119 HydrophobicContact CZ-CB 4.38Å; F98-F119 AromaticContact CZ-CD2 3.77Å; F98-F119 HydrophobicContact CZ-CD2 3.77Å; F98-F119 HydrophobicContact CZ-CG 4.39Å; F98-V121 HydrophobicContact CD1-CG2 4.16Å; F98-V121 HydrophobicContact CE1-CG2 4.42Å
99I77.6Confident77Confident7 Ų734.6 Ų34.64%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-109.5161.4-166.8-94.8-167.6000114.6F64 L101 L105 I118 F119 F120F64-I99 HydrophobicContact CD1-CD1 4.02Å; F64-I99 HydrophobicContact CD1-CG1 3.38Å; F64-I99 HydrophobicContact CE1-CD1 3.19Å; F64-I99 HydrophobicContact CE1-CG1 3.09Å; F64-I99 HydrophobicContact CE2-CG1 4.37Å; F64-I99 HydrophobicContact CG-CG1 4.17Å; F64-I99 HydrophobicContact CZ-CD1 3.48Å; F64-I99 VanDerWaalsContact CZ-CD1 3.48Å; F64-I99 HydrophobicContact CZ-CG1 3.61Å; I99-L101 VanDerWaalsContact CG2-O 3.3Å; I99-L101 WeakPolarHBondContact CG2-O 3.47Å; I99-L105 HydrophobicContact CD1-CD2 3.4Å; I99-L105 VanDerWaalsContact CD1-CD2 3.4Å; I99-L105 HydrophobicContact CD1-CG 4.24Å; I99-I118 HydrophobicContact CB-CG2 3.92Å; I99-I118 HydrophobicContact CD1-CG2 3.22Å; I99-I118 HydrophobicContact CG1-CG2 3.36Å; I99-F119 PolarHBondContact N-O 2.73Å; I99-F120 HydrophobicContact CG2-CD2 3.98Å; I99-F120 WeakPolarHBondContact O-CD2 3.24Å
100H55.2Low77.2Confident43 Ų4333.1 Ų33.120%0.19918%0.175CC..SBendtrans-119117141.1-67.7-41.8000112.3R33 A62 C63 F120R33-H100 VanDerWaalsContact CZ-CE1 3.49Å; R33-H100 PolarHBondContact NH1-CE1 3.29Å; R33-H100 PolarHBondContact NH1-ND1 3.22Å; R33-H100 PolarHBondContact NH1-NE2 2.9Å; R33-H100 PolarHBondContact NH2-CE1 2.99Å; R33-H100 VanDerWaalsContact NH2-CE1 3.29Å; A62-H100 WeakPolarHBondContact CA-O 3.44Å; A62-H100 WeakPolarHBondContact CB-O 3.23Å; C63-H100 PolarHBondContact O-N 2.86Å; H100-F120 AromaticContact ND1-CE2 3.79Å
101L51.5Low77Confident60 Ų6028.3 Ų28.331%0.31415%0.151SC..  trans88.8148.1175-156.769000120.6H61 I99H61-L101 WeakPolarHBondContact O-CB 3.33Å; H61-L101 WeakPolarHBondContact O-CD2 3.37Å; I99-L101 VanDerWaalsContact CG2-O 3.3Å; I99-L101 WeakPolarHBondContact CG2-O 3.47Å
102L52.4Low77Confident45 Ų4527.7 Ų27.724%0.23615%0.148CC..SBendtrans-88.9-37.3-159.9-150128.4000117.2L104 L105 C130 L131 F136L102-L104 PolarHBondContact O-N 2.84Å; L102-L104 VanDerWaalsContact O-N 3.1Å; L102-L105 WeakPolarHBondContact O-CG 3.48Å; L102-C130 WeakPolarHBondContact CD1-O 3.42Å; L102-L131 HydrophobicContact CD1-CD2 4.09Å; L102-F136 HydrophobicContact CB-CE2 4.22Å; L102-F136 HydrophobicContact CD1-CD2 3.35Å; L102-F136 HydrophobicContact CD1-CE2 3.62Å; L102-F136 HydrophobicContact CG-CD2 3.73Å; L102-F136 HydrophobicContact CG-CE2 3.62Å
103A54.1Low76.6Confident35 Ų3528.7 Ų28.729%0.28915%0.146SC..THydrogen-bonded Turntrans-69-11.7-170.800000114.7M1 V51M1-A103 HydrophobicContact SD-CB 3.58Å; M1-A103 VanDerWaalsContact SD-CB 3.58Å; V51-A103 HydrophobicContact CG2-CB 4.23Å
104L68.7Low76.4Confident0 Ų029.4 Ų29.40%015%0.152CC..THydrogen-bonded Turntrans-98.9-1.3-168.1-72165.2000113.3I10 L49 V51 H61 A62 F64 L102 M107 A108I10-L104 HydrophobicContact CG2-CD2 3.51Å; L49-L104 HydrophobicContact CB-CB 4.31Å; L49-L104 HydrophobicContact CB-CD1 3.93Å; L49-L104 HydrophobicContact CB-CD2 3.5Å; L49-L104 HydrophobicContact CB-CG 4.1Å; L49-L104 HydrophobicContact CD1-CB 4.12Å; L49-L104 HydrophobicContact CD1-CD2 4.23Å; L49-L104 VanDerWaalsContact O-CD1 3.32Å; L49-L104 WeakPolarHBondContact O-CD1 3.19Å; V51-L104 HydrophobicContact CG2-CD1 4.2Å; V51-L104 HydrophobicContact CG2-CD2 3.27Å; V51-L104 HydrophobicContact CG2-CG 3.69Å; H61-L104 VanDerWaalsContact C-CD1 3.47Å; A62-L104 HydrophobicContact CB-CB 4.04Å; A62-L104 HydrophobicContact CB-CD1 3.28Å; A62-L104 HydrophobicContact CB-CG 4.25Å; F64-L104 HydrophobicContact CZ-CB 4.44Å; L102-L104 PolarHBondContact O-N 2.84Å; L102-L104 VanDerWaalsContact O-N 3.1Å; L104-M107 PolarHBondContact O-N 2.99Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.09Å
105L75.2Confident76.7Confident5 Ų528.1 Ų28.13%0.02614%0.144CC..Hα-helixtrans-63.1-45.4-173.3-72.7171.2000114.2I99 L102 M107 A108 F109 I118 P135 F136 A152 I157I99-L105 HydrophobicContact CD1-CD2 3.4Å; I99-L105 VanDerWaalsContact CD1-CD2 3.4Å; I99-L105 HydrophobicContact CD1-CG 4.24Å; L102-L105 WeakPolarHBondContact O-CG 3.48Å; L105-M107 PolarHBondContact O-N 3.1Å; L105-A108 PolarHBondContact O-N 3.36Å; L105-F109 HydrophobicContact CD2-CE2 4.31Å; L105-F109 WeakPolarHBondContact O-CB 3.4Å; L105-F109 VanDerWaalsContact O-CD2 3.29Å; L105-F109 WeakPolarHBondContact O-CD2 3.18Å; L105-F109 PolarHBondContact O-N 2.9Å; L105-I118 HydrophobicContact CD2-CB 4.02Å; L105-I118 HydrophobicContact CD2-CD1 3.7Å; L105-I118 HydrophobicContact CD2-CG1 4.45Å; L105-I118 HydrophobicContact CD2-CG2 3.67Å; L105-P135 HydrophobicContact CD1-CG 3.42Å; L105-P135 VanDerWaalsContact CD1-CG 3.42Å; L105-F136 HydrophobicContact CD1-CD2 4.21Å; L105-F136 HydrophobicContact CD1-CE2 3.57Å; L105-F136 HydrophobicContact CD1-CZ 3.89Å; L105-F136 HydrophobicContact CD2-CZ 4.09Å; L105-F136 HydrophobicContact CG-CE2 4.4Å; L105-F136 HydrophobicContact CG-CZ 4.41Å; L105-A152 HydrophobicContact CD1-CB 3.9Å; L105-A152 HydrophobicContact CD2-CB 4.01Å; L105-I157 HydrophobicContact CB-CD1 3.66Å; L105-I157 HydrophobicContact CD1-CD1 4.17Å
106K76.8Confident76.8Confident104 Ų10429.9 Ų29.945%0.45215%0.152SC..Hα-helixtrans-58.5-47.8-179.6-173.1175.6179.7175.90110.8E5 M110 I157 F158E5-K106 IonicContact OE1-NZ 3.48Å; E5-K106 PolarHBondContact OE1-NZ 3.31Å; K106-M110 WeakPolarHBondContact O-CB 3.38Å; K106-M110 PolarHBondContact O-N 2.72Å; K106-I157 HydrophobicContact CB-CG2 4.06Å; K106-I157 HydrophobicContact CG-CG2 4.13Å; K106-F158 HydrophobicContact CG-CE2 4.23Å; K106-F158 HydrophobicContact CG-CZ 3.78Å; K106-F158 VanDerWaalsContact O-CE2 3.28Å; K106-F158 WeakPolarHBondContact O-CE2 2.88Å
107M79.2Confident76.7Confident27 Ų2731.8 Ų31.813%0.13316%0.159CC..Hα-helixtrans-67.2-42.3176.9-146.3-58.2-8500111.6I10 L49 L104 L105 F109 M110 V111I10-M107 HydrophobicContact CB-CG 4.41Å; I10-M107 HydrophobicContact CD1-CB 4.43Å; I10-M107 HydrophobicContact CG2-CB 3.82Å; I10-M107 HydrophobicContact CG2-CG 3.81Å; L49-M107 HydrophobicContact CD1-CB 4.25Å; L49-M107 HydrophobicContact CD1-CE 3.73Å; L49-M107 HydrophobicContact CD2-CE 3.08Å; L49-M107 HydrophobicContact CG-CE 4.03Å; L104-M107 PolarHBondContact O-N 2.99Å; L105-M107 PolarHBondContact O-N 3.1Å; M107-F109 PolarHBondContact O-N 3.46Å; M107-M110 HydrophobicContact CG-CE 4.03Å; M107-M110 WeakPolarHBondContact O-CB 3.22Å; M107-M110 PolarHBondContact O-N 3.3Å; M107-M110 VanDerWaalsContact O-N 3.07Å; M107-M110 HydrophobicContact SD-CE 3.75Å; M107-V111 HydrophobicContact CE-CG2 3.73Å; M107-V111 PolarHBondContact O-N 2.9Å; M107-V111 HydrophobicContact SD-CB 4.35Å; M107-V111 HydrophobicContact SD-CG2 3.3Å; M107-V111 WeakPolarHBondContact SD-CG2 3.42Å
108A83.4Confident76.7Confident0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-58.9-47.1178.200000112.8L47 L49 F64 L104 L105 M110 V111 A112 I118L47-A108 HydrophobicContact CD2-CB 4.15Å; L49-A108 HydrophobicContact CD1-CB 4.1Å; F64-A108 HydrophobicContact CD1-CB 4.27Å; F64-A108 HydrophobicContact CE1-CB 3.29Å; F64-A108 HydrophobicContact CE2-CB 4.21Å; F64-A108 HydrophobicContact CZ-CB 3.3Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.09Å; L105-A108 PolarHBondContact O-N 3.36Å; A108-M110 VanDerWaalsContact C-N 3.31Å; A108-M110 PolarHBondContact O-N 2.91Å; A108-V111 PolarHBondContact O-N 3.1Å; A108-A112 VanDerWaalsContact O-CB 3.24Å; A108-A112 WeakPolarHBondContact O-CB 3.4Å; A108-A112 PolarHBondContact O-N 3.02Å; A108-I118 HydrophobicContact CB-CD1 4.18Å
109F86.5Confident76.7Confident0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-66.8-31.9173.8-79.2-57.7000112.4L105 M107 A112 V115 I118 R154 I157 F158L105-F109 HydrophobicContact CD2-CE2 4.31Å; L105-F109 WeakPolarHBondContact O-CB 3.4Å; L105-F109 VanDerWaalsContact O-CD2 3.29Å; L105-F109 WeakPolarHBondContact O-CD2 3.18Å; L105-F109 PolarHBondContact O-N 2.9Å; M107-F109 PolarHBondContact O-N 3.46Å; F109-A112 CarbonylContact O-C 3.58Å; F109-V115 HydrophobicContact CD1-CG1 4.41Å; F109-V115 WeakPolarHBondContact CD1-O 3.44Å; F109-V115 HydrophobicContact CE1-CG1 4.07Å; F109-I118 HydrophobicContact CD1-CD1 3.88Å; F109-I118 HydrophobicContact CD1-CG1 4.38Å; F109-I118 HydrophobicContact CD2-CD1 3.85Å; F109-I118 HydrophobicContact CE1-CD1 3.58Å; F109-I118 HydrophobicContact CE1-CG1 3.64Å; F109-I118 HydrophobicContact CE2-CD1 3.56Å; F109-I118 HydrophobicContact CE2-CG1 4.13Å; F109-I118 HydrophobicContact CG-CD1 4.02Å; F109-I118 HydrophobicContact CZ-CB 3.98Å; F109-I118 HydrophobicContact CZ-CD1 3.42Å; F109-I118 VanDerWaalsContact CZ-CD1 3.42Å; F109-I118 HydrophobicContact CZ-CG1 3.5Å; F109-R154 HydrophobicContact CD1-CB 3.81Å; F109-R154 HydrophobicContact CD1-CG 3.98Å; F109-R154 HydrophobicContact CE1-CB 3.65Å; F109-R154 HydrophobicContact CE1-CG 4.34Å; F109-R154 HydrophobicContact CG-CB 4.42Å; F109-R154 HydrophobicContact CG-CG 4.36Å; F109-R154 HydrophobicContact CZ-CB 4.13Å; F109-R154 PolarHBondContact O-NH1 3.03Å; F109-R154 PolarHBondContact O-NH2 3.49Å; F109-I157 HydrophobicContact CD2-CD1 3.79Å; F109-I157 HydrophobicContact CE2-CD1 3.75Å; F109-F158 HydrophobicContact CB-CD2 3.82Å; F109-F158 HydrophobicContact CB-CE2 3.69Å
110M81.7Confident77.1Confident103 Ų10331.6 Ų31.651%0.50716%0.158SC..Hα-helixtrans-65.6-44.2175.7-172.3179.47200111.9K106 M107 A108 F158K106-M110 WeakPolarHBondContact O-CB 3.38Å; K106-M110 PolarHBondContact O-N 2.72Å; M107-M110 HydrophobicContact CG-CE 4.03Å; M107-M110 WeakPolarHBondContact O-CB 3.22Å; M107-M110 PolarHBondContact O-N 3.3Å; M107-M110 VanDerWaalsContact O-N 3.07Å; M107-M110 HydrophobicContact SD-CE 3.75Å; A108-M110 VanDerWaalsContact C-N 3.31Å; A108-M110 PolarHBondContact O-N 2.91Å; M110-F158 HydrophobicContact CB-CE2 4.43Å; M110-F158 HydrophobicContact CB-CZ 4.1Å
111V79.8Confident78.3Confident31 Ų3130.2 Ų30.219%0.18815%0.153CC..Hα-helixtrans-74-45.3178167.70000111.6L47 M107 A108 Y113L47-V111 HydrophobicContact CD1-CG1 4.16Å; L47-V111 HydrophobicContact CD2-CG1 4.45Å; M107-V111 HydrophobicContact CE-CG2 3.73Å; M107-V111 PolarHBondContact O-N 2.9Å; M107-V111 HydrophobicContact SD-CB 4.35Å; M107-V111 HydrophobicContact SD-CG2 3.3Å; M107-V111 WeakPolarHBondContact SD-CG2 3.42Å; A108-V111 PolarHBondContact O-N 3.1Å; V111-Y113 PolarHBondContact O-N 3.1Å
112A83.6Confident79.4Confident2 Ų228 Ų282%0.01714%0.141CC..  trans-94.271.5-178.600000110.8L97 A108 F109 S114 V115 M608L97-A112 HydrophobicContact CD1-CB 4.12Å; A108-A112 VanDerWaalsContact O-CB 3.24Å; A108-A112 WeakPolarHBondContact O-CB 3.4Å; A108-A112 PolarHBondContact O-N 3.02Å; F109-A112 CarbonylContact O-C 3.58Å; A112-S114 PolarHBondContact O-N 3.28Å; A112-V115 HydrophobicContact CB-CB 4Å; A112-V115 HydrophobicContact CB-CG2 3.59Å; A112-V115 WeakPolarHBondContact O-CB 3.37Å; A112-V115 PolarHBondContact O-N 3.26Å; A112-M608 HydrophobicContact CB-CE 3.64Å
113Y78.6Confident80.1Confident70 Ų7032 Ų3228%0.27516%0.158SC..THydrogen-bonded Turntrans-62.5-25-175.661.7-91.7000113.9V111 V115V111-Y113 PolarHBondContact O-N 3.1Å; Y113-V115 VanDerWaalsContact C-N 3.27Å; Y113-V115 PolarHBondContact O-N 2.93Å
114S79.7Confident80.4Confident29 Ų2933.6 Ų33.620%0.20316%0.162CC..THydrogen-bonded Turntrans-75.5-13.9175.268.60000113.7N95 A112N95-S114 WeakPolarHBondContact CA-O 3.46Å; A112-S114 PolarHBondContact O-N 3.28Å
115V88.8Confident79.6Confident1 Ų136 Ų361%0.00618%0.182CC..  trans-88.2125.8-174.2178.70000110L97 F109 A112 Y113 Y117 I118 R154L97-V115 HydrophobicContact CB-CG1 4.2Å; L97-V115 HydrophobicContact CD1-CB 4.39Å; L97-V115 HydrophobicContact CD1-CG1 4.14Å; L97-V115 HydrophobicContact CD1-CG2 3.71Å; L97-V115 HydrophobicContact CG-CB 4.46Å; L97-V115 HydrophobicContact CG-CG1 3.94Å; L97-V115 HydrophobicContact CG-CG2 3.69Å; F109-V115 HydrophobicContact CD1-CG1 4.41Å; F109-V115 WeakPolarHBondContact CD1-O 3.44Å; F109-V115 HydrophobicContact CE1-CG1 4.07Å; A112-V115 HydrophobicContact CB-CB 4Å; A112-V115 HydrophobicContact CB-CG2 3.59Å; A112-V115 WeakPolarHBondContact O-CB 3.37Å; A112-V115 PolarHBondContact O-N 3.26Å; Y113-V115 VanDerWaalsContact C-N 3.27Å; Y113-V115 PolarHBondContact O-N 2.93Å; V115-Y117 VanDerWaalsContact CG1-O 3.29Å; V115-Y117 WeakPolarHBondContact CG1-O 3.28Å; V115-I118 HydrophobicContact CG1-CG1 3.93Å; V115-R154 WeakPolarHBondContact O-CD 3.35Å; V115-R154 PolarHBondContact O-NH1 3.41Å
116H89.3Confident78.4Confident55 Ų5544.2 Ų44.226%0.25522%0.22SC..  trans-105.9-31.2178.7-67.4179.3000112.2N95 R154N95-H116 HydrophobicContact CB-CB 4.31Å; N95-H116 PolarHBondContact O-N 3.45Å; H116-R154 PolarHBondContact O-N 3.1Å
117Y91.3Very high77.3Confident42 Ų4241.2 Ų41.217%0.16521%0.212CC..EExtended strand (participates in β ladder)trans-123.2133.3-175.5-51.3-77.2000110.3I91 N95 S96 L97 V115 F119 Y153I91-Y117 HydrophobicContact CG1-CD2 4.38Å; I91-Y117 HydrophobicContact CG1-CE2 4.48Å; N95-Y117 PolarHBondContact O-N 3.17Å; S96-Y117 WeakPolarHBondContact CA-O 3.37Å; L97-Y117 PolarHBondContact N-O 2.93Å; V115-Y117 VanDerWaalsContact CG1-O 3.29Å; V115-Y117 WeakPolarHBondContact CG1-O 3.28Å; Y117-F119 VanDerWaalsContact CB-CZ 3.42Å; Y117-F119 HydrophobicContact CD1-CZ 4.45Å; Y117-F119 HydrophobicContact CG-CE2 4.41Å; Y117-F119 AromaticContact CG-CZ 3.98Å; Y117-F119 HydrophobicContact CG-CZ 3.98Å; Y117-Y153 AromaticContact CD1-CD1 3.65Å; Y117-Y153 HydrophobicContact CD1-CD1 3.65Å; Y117-Y153 AromaticContact CD1-CE1 3.79Å; Y117-Y153 HydrophobicContact CD1-CE1 3.79Å; Y117-Y153 AromaticContact CE1-CD1 3.7Å; Y117-Y153 HydrophobicContact CE1-CD1 3.7Å; Y117-Y153 AromaticContact CE1-CE1 3.76Å; Y117-Y153 HydrophobicContact CE1-CE1 3.76Å
118I89.8Confident76.3Confident0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-121.9115.5170.6-69.3177.5000108.5F64 L97 I99 L105 A108 F109 V115 C151 A152F64-I118 HydrophobicContact CE1-CD1 4.18Å; L97-I118 HydrophobicContact CB-CG1 4.39Å; L97-I118 CarbonylContact O-C 3.51Å; L97-I118 WeakPolarHBondContact O-CA 3.44Å; I99-I118 HydrophobicContact CB-CG2 3.92Å; I99-I118 HydrophobicContact CD1-CG2 3.22Å; I99-I118 HydrophobicContact CG1-CG2 3.36Å; L105-I118 HydrophobicContact CD2-CB 4.02Å; L105-I118 HydrophobicContact CD2-CD1 3.7Å; L105-I118 HydrophobicContact CD2-CG1 4.45Å; L105-I118 HydrophobicContact CD2-CG2 3.67Å; A108-I118 HydrophobicContact CB-CD1 4.18Å; F109-I118 HydrophobicContact CD1-CD1 3.88Å; F109-I118 HydrophobicContact CD1-CG1 4.38Å; F109-I118 HydrophobicContact CD2-CD1 3.85Å; F109-I118 HydrophobicContact CE1-CD1 3.58Å; F109-I118 HydrophobicContact CE1-CG1 3.64Å; F109-I118 HydrophobicContact CE2-CD1 3.56Å; F109-I118 HydrophobicContact CE2-CG1 4.13Å; F109-I118 HydrophobicContact CG-CD1 4.02Å; F109-I118 HydrophobicContact CZ-CB 3.98Å; F109-I118 HydrophobicContact CZ-CD1 3.42Å; F109-I118 VanDerWaalsContact CZ-CD1 3.42Å; F109-I118 HydrophobicContact CZ-CG1 3.5Å; V115-I118 HydrophobicContact CG1-CG1 3.93Å; I118-C151 WeakPolarHBondContact O-CA 3.19Å; I118-A152 HydrophobicContact CB-CB 4.42Å; I118-A152 PolarHBondContact N-O 3.3Å; I118-A152 PolarHBondContact O-N 3.31Å
119F88.8Confident75.1Confident0 Ų051.7 Ų51.70%026%0.258CS..EExtended strand (participates in β ladder)trans-98.9146.9-176.2-61.3-68.5000112.1F82 I91 L97 F98 I99 Y117 L139 V149 F150 C151F82-F119 HydrophobicContact CE1-CD1 4.14Å; F82-F119 HydrophobicContact CE1-CD2 4.36Å; F82-F119 HydrophobicContact CE1-CE1 4.05Å; F82-F119 HydrophobicContact CE1-CE2 4.26Å; F82-F119 HydrophobicContact CE1-CG 4.32Å; F82-F119 HydrophobicContact CE1-CZ 4.14Å; F82-F119 HydrophobicContact CZ-CB 4.49Å; F82-F119 HydrophobicContact CZ-CD1 4.02Å; F82-F119 HydrophobicContact CZ-CD2 4.35Å; F82-F119 HydrophobicContact CZ-CE1 4.4Å; F82-F119 HydrophobicContact CZ-CG 4.02Å; I91-F119 HydrophobicContact CD1-CE1 4.02Å; I91-F119 HydrophobicContact CD1-CE2 3.92Å; I91-F119 HydrophobicContact CD1-CZ 3.27Å; I91-F119 HydrophobicContact CG1-CZ 3.98Å; L97-F119 PolarHBondContact O-N 2.92Å; F98-F119 CarbonylContact C-O 3.53Å; F98-F119 VanDerWaalsContact CA-O 3.3Å; F98-F119 WeakPolarHBondContact CA-O 3.44Å; F98-F119 HydrophobicContact CD1-CB 3.5Å; F98-F119 HydrophobicContact CD1-CD2 4.35Å; F98-F119 HydrophobicContact CD1-CG 4.35Å; F98-F119 HydrophobicContact CE1-CB 3.52Å; F98-F119 AromaticContact CE1-CD2 3.75Å; F98-F119 HydrophobicContact CE1-CD2 3.75Å; F98-F119 AromaticContact CE1-CG 3.91Å; F98-F119 HydrophobicContact CE1-CG 3.91Å; F98-F119 HydrophobicContact CE2-CD2 4.39Å; F98-F119 HydrophobicContact CG-CB 4.34Å; F98-F119 HydrophobicContact CZ-CB 4.38Å; F98-F119 AromaticContact CZ-CD2 3.77Å; F98-F119 HydrophobicContact CZ-CD2 3.77Å; F98-F119 HydrophobicContact CZ-CG 4.39Å; I99-F119 PolarHBondContact N-O 2.73Å; Y117-F119 VanDerWaalsContact CB-CZ 3.42Å; Y117-F119 HydrophobicContact CD1-CZ 4.45Å; Y117-F119 HydrophobicContact CG-CE2 4.41Å; Y117-F119 AromaticContact CG-CZ 3.98Å; Y117-F119 HydrophobicContact CG-CZ 3.98Å; F119-L139 HydrophobicContact CD1-CD1 4.09Å; F119-L139 HydrophobicContact CE1-CD1 3.92Å; F119-V149 HydrophobicContact CB-CG1 4.38Å; F119-V149 HydrophobicContact CD1-CG1 4.09Å; F119-F150 CarbonylContact C-O 3.42Å; F119-F150 WeakPolarHBondContact CA-O 3.42Å; F119-C151 HydrophobicContact CD1-CB 3.84Å; F119-C151 HydrophobicContact CE1-CB 3.75Å; F119-C151 WeakPolarHBondContact CE1-SG 3.3Å
120F84.8Confident73.7Confident11 Ų1154.7 Ų54.75%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-129.4111.2172-173.9-104000108.8I99 H100 L122 I128 L131 F136 V149 F150I99-F120 HydrophobicContact CG2-CD2 3.98Å; I99-F120 WeakPolarHBondContact O-CD2 3.24Å; H100-F120 AromaticContact ND1-CE2 3.79Å; F120-L122 HydrophobicContact CD1-CD1 4.19Å; F120-L122 HydrophobicContact CD1-CD2 4.29Å; F120-L122 HydrophobicContact CD1-CG 3.77Å; F120-L122 HydrophobicContact CE1-CD1 3.87Å; F120-L122 HydrophobicContact CE1-CD2 3.38Å; F120-L122 HydrophobicContact CE1-CG 3.35Å; F120-L122 HydrophobicContact CZ-CD2 3.95Å; F120-L122 HydrophobicContact CZ-CG 4.34Å; F120-I128 HydrophobicContact CE1-CD1 3.95Å; F120-I128 HydrophobicContact CZ-CD1 3.79Å; F120-L131 HydrophobicContact CD1-CD1 3.53Å; F120-L131 HydrophobicContact CD1-CD2 3.8Å; F120-L131 HydrophobicContact CD1-CG 4.35Å; F120-L131 HydrophobicContact CE1-CD1 3.29Å; F120-L131 HydrophobicContact CE1-CD2 4.2Å; F120-L131 HydrophobicContact CE1-CG 4.37Å; F120-L131 HydrophobicContact CG-CD2 4.35Å; F120-L131 HydrophobicContact CZ-CD1 4.36Å; F120-F136 HydrophobicContact CB-CE1 4.04Å; F120-F136 HydrophobicContact CB-CZ 4.47Å; F120-V149 WeakPolarHBondContact O-CA 3.05Å; F120-F150 HydrophobicContact CB-CB 4.32Å; F120-F150 PolarHBondContact N-O 3.05Å; F120-F150 PolarHBondContact O-N 3.18Å
121V80Confident72.8Confident15 Ų1550.1 Ų50.19%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-93.4120-179.3-175.10000109F98 N147 V149F98-V121 HydrophobicContact CD1-CG2 4.16Å; F98-V121 HydrophobicContact CE1-CG2 4.42Å; V121-N147 HydrophobicContact CG1-CB 4.02Å; V121-V149 HydrophobicContact CB-CG2 4.46Å; V121-V149 HydrophobicContact CG1-CG2 4.27Å; V121-V149 HydrophobicContact CG2-CG2 4.11Å
122L75.3Confident72.1Confident13 Ų1354.8 Ų54.87%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-106.5124.7176.8-83.8172.7000111.6F120 I128 L131 N147 D148 F150F120-L122 HydrophobicContact CD1-CD1 4.19Å; F120-L122 HydrophobicContact CD1-CD2 4.29Å; F120-L122 HydrophobicContact CD1-CG 3.77Å; F120-L122 HydrophobicContact CE1-CD1 3.87Å; F120-L122 HydrophobicContact CE1-CD2 3.38Å; F120-L122 HydrophobicContact CE1-CG 3.35Å; F120-L122 HydrophobicContact CZ-CD2 3.95Å; F120-L122 HydrophobicContact CZ-CG 4.34Å; L122-I128 HydrophobicContact CD2-CD1 4.29Å; L122-L131 HydrophobicContact CD1-CD1 3.45Å; L122-L131 VanDerWaalsContact CD1-CD1 3.45Å; L122-L131 HydrophobicContact CG-CD1 4.26Å; L122-N147 WeakPolarHBondContact O-CB 3.41Å; L122-D148 PolarHBondContact N-O 3.29Å; L122-D148 PolarHBondContact O-N 2.76Å; L122-F150 HydrophobicContact CD1-CD2 3.95Å; L122-F150 HydrophobicContact CD1-CE2 3.58Å
123E66.1Low71.4Confident128 Ų12857.4 Ų57.460%0.59830%0.298SS*.SBendtrans-76.5-31.3168.1-68.4176.316600111.8
124D61.2Low70.9Confident70 Ų7059.1 Ų59.137%0.37431%0.307SS..  trans-130.5110.9178.4-171.6-7.6000111.2H126 S127D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 IonicContact OD1-CD2 3.95Å; D124-H126 IonicContact OD1-CG 2.73Å; D124-H126 PolarHBondContact OD1-N 3.34Å; D124-H126 VanDerWaalsContact OD1-N 3.13Å; D124-S127 PolarHBondContact O-OG 3.38Å
125A51Low70.8Confident50 Ų5058.2 Ų58.241%0.41330%0.301SS..THydrogen-bonded Turntrans-65.9-17.9-176.500000114S127 D148A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 2.95Å; A125-D148 VanDerWaalsContact CB-OD2 3.32Å; A125-D148 WeakPolarHBondContact CB-OD2 3.46Å
126H50.4Low70.6Confident177 Ų17758.4 Ų58.482%0.81930%0.302SS*.THydrogen-bonded Turntrans-82-6.3-174-67.5-61.3000114.6D124D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 IonicContact OD1-CD2 3.95Å; D124-H126 IonicContact OD1-CG 2.73Å; D124-H126 PolarHBondContact OD1-N 3.34Å; D124-H126 VanDerWaalsContact OD1-N 3.13Å
127S53.7Low70.4Confident41 Ų4159.1 Ų59.129%0.28731%0.305SS..SBendtrans-87.6-23.4-163.3570000115.7S30 D124 A125S30-S127 WeakPolarHBondContact OG-CB 3.15Å; D124-S127 PolarHBondContact O-OG 3.38Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 2.95Å
128I58.7Low70.2Confident42 Ų4262.5 Ų62.522%0.21532%0.32CS..  trans-139.195.9-170.8-55.1175.5000111.5F120 L122 C130 L131F120-I128 HydrophobicContact CE1-CD1 3.95Å; F120-I128 HydrophobicContact CZ-CD1 3.79Å; L122-I128 HydrophobicContact CD2-CD1 4.29Å; I128-C130 WeakPolarHBondContact CG2-SG 3.21Å; I128-C130 PolarHBondContact O-N 3.41Å; I128-L131 HydrophobicContact CB-CD1 3.64Å; I128-L131 HydrophobicContact CB-CG 4.24Å; I128-L131 HydrophobicContact CD1-CD1 4.01Å; I128-L131 HydrophobicContact CG1-CD1 4.37Å; I128-L131 HydrophobicContact CG2-CD1 3.65Å; I128-L131 HydrophobicContact CG2-CG 3.72Å; I128-L131 PolarHBondContact O-N 2.95Å
129K57.3Low70.1Confident205 Ų20563.3 Ų63.389%0.89133%0.325SS*.G310 helixtrans-60.8-25.4179.5-71.9-176.5179.3178.20114.4L131K129-L131 PolarHBondContact O-N 3.43Å
130C58.1Low69.9Low63 Ų6366.9 Ų66.943%0.42635%0.35SS..G310 helixtrans-83.30.2-175.254.60000115.4L102 I128 S133L102-C130 WeakPolarHBondContact CD1-O 3.42Å; I128-C130 WeakPolarHBondContact CG2-SG 3.21Å; I128-C130 PolarHBondContact O-N 3.41Å; C130-S133 PolarHBondContact O-OG 3.25Å
131L62.7Low70Confident7 Ų769.6 Ų69.64%0.03736%0.361CS..G310 helixtrans-84.8-16.8177.3-74.5161.9000113.9L102 F120 L122 I128 K129 S133 F136 F150L102-L131 HydrophobicContact CD1-CD2 4.09Å; F120-L131 HydrophobicContact CD1-CD1 3.53Å; F120-L131 HydrophobicContact CD1-CD2 3.8Å; F120-L131 HydrophobicContact CD1-CG 4.35Å; F120-L131 HydrophobicContact CE1-CD1 3.29Å; F120-L131 HydrophobicContact CE1-CD2 4.2Å; F120-L131 HydrophobicContact CE1-CG 4.37Å; F120-L131 HydrophobicContact CG-CD2 4.35Å; F120-L131 HydrophobicContact CZ-CD1 4.36Å; L122-L131 HydrophobicContact CD1-CD1 3.45Å; L122-L131 VanDerWaalsContact CD1-CD1 3.45Å; L122-L131 HydrophobicContact CG-CD1 4.26Å; I128-L131 HydrophobicContact CB-CD1 3.64Å; I128-L131 HydrophobicContact CB-CG 4.24Å; I128-L131 HydrophobicContact CD1-CD1 4.01Å; I128-L131 HydrophobicContact CG1-CD1 4.37Å; I128-L131 HydrophobicContact CG2-CD1 3.65Å; I128-L131 HydrophobicContact CG2-CG 3.72Å; I128-L131 PolarHBondContact O-N 2.95Å; K129-L131 PolarHBondContact O-N 3.43Å; L131-S133 PolarHBondContact O-N 2.96Å; L131-F136 HydrophobicContact CD2-CB 4.44Å; L131-F136 HydrophobicContact CD2-CD2 3.91Å; L131-F136 HydrophobicContact CD2-CE2 4.2Å; L131-F136 HydrophobicContact CD2-CG 4.06Å; L131-F136 WeakPolarHBondContact O-CB 3.46Å; L131-F150 HydrophobicContact CB-CD1 3.92Å; L131-F150 HydrophobicContact CB-CD2 4.45Å; L131-F150 HydrophobicContact CB-CE1 3.87Å; L131-F150 HydrophobicContact CB-CE2 4.44Å; L131-F150 HydrophobicContact CB-CG 4.21Å; L131-F150 HydrophobicContact CB-CZ 4.14Å; L131-F150 HydrophobicContact CD1-CD2 4.47Å; L131-F150 VanDerWaalsContact O-CD1 3.3Å; L131-F150 WeakPolarHBondContact O-CD1 3.33Å; L131-F150 WeakPolarHBondContact O-CE1 3.41Å
132N64.4Low70.2Confident129 Ų12975.9 Ų75.969%0.6938%0.384SS*.G310 helixtrans-80.78.8173.5-70.2-24.1000112.6F150N132-F150 WeakPolarHBondContact OD1-CE1 3.48Å
133S68.7Low70.6Confident58 Ų5878.5 Ų78.541%0.40640%0.4SS..SBendtrans-112.5153.3175.451.40000111.2C130 L131 F136C130-S133 PolarHBondContact O-OG 3.25Å; L131-S133 PolarHBondContact O-N 2.96Å; S133-F136 PolarHBondContact O-N 3.46Å; S133-F136 VanDerWaalsContact O-N 3.14Å
134F69Low71.1Confident106 Ų10676.5 Ų76.547%0.46541%0.406SS..THydrogen-bonded Turntrans-43.2138168.2179.3-92.3000111.4E156F134-E156 HydrophobicContact CE2-CB 3.8Å; F134-E156 HydrophobicContact CE2-CG 4.4Å; F134-E156 HydrophobicContact CZ-CB 4.16Å
135P77.3Confident71.8Confident10 Ų1081.7 Ų81.77%0.06543%0.428CS..THydrogen-bonded Turncis-95.719.5638.8-38000114.7L105 A152 I157L105-P135 HydrophobicContact CD1-CG 3.42Å; L105-P135 VanDerWaalsContact CD1-CG 3.42Å; P135-A152 VanDerWaalsContact O-CA 3.28Å; P135-A152 WeakPolarHBondContact O-CA 3.45Å; P135-I157 HydrophobicContact CB-CD1 4.12Å; P135-I157 HydrophobicContact CB-CG1 4.08Å; P135-I157 HydrophobicContact CG-CD1 3.91Å; P135-I157 HydrophobicContact CG-CG1 4.35Å
136F84.2Confident73.1Confident5 Ų580.9 Ų80.92%0.02242%0.415CS..EExtended strand (participates in β ladder)trans-98.3133.9-179.8-82.1-75.1000112.6L102 L105 F120 L131 S133 F150 A152L102-F136 HydrophobicContact CB-CE2 4.22Å; L102-F136 HydrophobicContact CD1-CD2 3.35Å; L102-F136 HydrophobicContact CD1-CE2 3.62Å; L102-F136 HydrophobicContact CG-CD2 3.73Å; L102-F136 HydrophobicContact CG-CE2 3.62Å; L105-F136 HydrophobicContact CD1-CD2 4.21Å; L105-F136 HydrophobicContact CD1-CE2 3.57Å; L105-F136 HydrophobicContact CD1-CZ 3.89Å; L105-F136 HydrophobicContact CD2-CZ 4.09Å; L105-F136 HydrophobicContact CG-CE2 4.4Å; L105-F136 HydrophobicContact CG-CZ 4.41Å; F120-F136 HydrophobicContact CB-CE1 4.04Å; F120-F136 HydrophobicContact CB-CZ 4.47Å; L131-F136 HydrophobicContact CD2-CB 4.44Å; L131-F136 HydrophobicContact CD2-CD2 3.91Å; L131-F136 HydrophobicContact CD2-CE2 4.2Å; L131-F136 HydrophobicContact CD2-CG 4.06Å; L131-F136 WeakPolarHBondContact O-CB 3.46Å; S133-F136 PolarHBondContact O-N 3.46Å; S133-F136 VanDerWaalsContact O-N 3.14Å; F136-F150 HydrophobicContact CB-CB 4.18Å; F136-F150 HydrophobicContact CB-CD1 4.37Å; F136-F150 HydrophobicContact CD1-CB 3.81Å; F136-F150 HydrophobicContact CG-CB 4.3Å; F136-A152 HydrophobicContact CD1-CB 3.82Å; F136-A152 HydrophobicContact CE1-CB 3.7Å; F136-A152 HydrophobicContact CG-CB 4.32Å; F136-A152 HydrophobicContact CZ-CB 4.13Å
137H86.5Confident74.6Confident70 Ų7074 Ų7432%0.32438%0.384SS..EExtended strand (participates in β ladder)trans-117.5129.5176.9-57.8-87.3000110.7L139 F150 C151 Y153 E156H137-L139 PolarHBondContact O-N 3.03Å; H137-F150 CarbonylContact O-C 3.56Å; H137-F150 VanDerWaalsContact O-CA 3.29Å; H137-F150 WeakPolarHBondContact O-CA 3.22Å; H137-C151 PolarHBondContact N-O 3.12Å; H137-C151 PolarHBondContact O-N 3.24Å; H137-Y153 HydrophobicContact CB-CE2 4.11Å; H137-Y153 AromaticContact CD2-CD2 3.46Å; H137-Y153 VanDerWaalsContact CD2-CD2 3.46Å; H137-Y153 WeakPolarHBondContact CD2-CD2 3.49Å; H137-Y153 AromaticContact CD2-CE2 3.39Å; H137-Y153 WeakPolarHBondContact CD2-CE2 3.36Å; H137-Y153 AromaticContact CG-CE2 3.9Å; H137-Y153 AromaticContact NE2-CD2 3.96Å; H137-E156 IonicContact CD2-OE1 2.77Å; H137-E156 IonicContact CD2-OE2 2.93Å; H137-E156 PolarHBondContact CD2-OE2 3.41Å; H137-E156 IonicContact CE1-OE1 2.76Å; H137-E156 PolarHBondContact CE1-OE1 2.98Å; H137-E156 IonicContact CE1-OE2 2.94Å; H137-E156 IonicContact NE2-OE1 3.77Å; H137-E156 PolarHBondContact NE2-OE1 3.4Å; H137-E156 IonicContact NE2-OE2 2.97Å; H137-E156 PolarHBondContact NE2-OE2 3.31Å
138K86.2Confident76Confident112 Ų11272.9 Ų72.949%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-69.1123174.2-173.6175-179.4167.30110D148 F150K138-D148 VanDerWaalsContact CE-OD1 3.24Å; K138-D148 WeakPolarHBondContact CE-OD1 3.22Å; K138-D148 VanDerWaalsContact CE-OD2 3.32Å; K138-D148 WeakPolarHBondContact CE-OD2 3.28Å; K138-D148 IonicContact NZ-OD1 2.69Å; K138-D148 PolarHBondContact NZ-OD1 2.83Å; K138-D148 IonicContact NZ-OD2 2.95Å; K138-D148 PolarHBondContact NZ-OD2 2.75Å; K138-F150 HydrophobicContact CB-CD1 4.07Å; K138-F150 HydrophobicContact CB-CE1 3.76Å; K138-F150 HydrophobicContact CB-CZ 4.22Å; K138-F150 HydrophobicContact CD-CZ 4.3Å; K138-F150 HydrophobicContact CG-CE1 4.3Å; K138-F150 HydrophobicContact CG-CZ 4.26Å
139L87.1Confident77.3Confident17 Ų1770.9 Ų70.99%0.08937%0.365CS..PPolyproline II helixtrans-76146.2176.7-62.5-178.5000111.4T88 F119 H137 V149 C151T88-L139 HydrophobicContact CG2-CD1 3.8Å; T88-L139 HydrophobicContact CG2-CD2 3.99Å; T88-L139 HydrophobicContact CG2-CG 4.48Å; F119-L139 HydrophobicContact CD1-CD1 4.09Å; F119-L139 HydrophobicContact CE1-CD1 3.92Å; H137-L139 PolarHBondContact O-N 3.03Å; L139-V149 HydrophobicContact CD1-CB 4.2Å; L139-V149 HydrophobicContact CD1-CG1 3.71Å; L139-V149 HydrophobicContact CG-CG1 4.4Å; L139-V149 PolarHBondContact N-O 2.68Å; L139-C151 HydrophobicContact CD1-CB 4.23Å; L139-C151 HydrophobicContact CD2-CB 3.78Å; L139-C151 HydrophobicContact CG-CB 4.03Å
140S86.1Confident78.7Confident76 Ų7661.5 Ų61.553%0.53132%0.324SS..PPolyproline II helixtrans-68.3142.7167.756.70000110.4Y86Y86-S140 CarbonylContact C-O 3.58Å; Y86-S140 VanDerWaalsContact CA-O 3.23Å; Y86-S140 WeakPolarHBondContact CA-O 3.37Å
141K85.8Confident80.2Confident67 Ų6758.6 Ų58.629%0.29130%0.304SS..  trans-123.1141176.261.8-170.9-175.1-172.20110.3I85 Y86 V143 A144 E146 D148I85-K141 WeakPolarHBondContact O-CA 3.19Å; Y86-K141 HydrophobicContact CD1-CB 3.94Å; Y86-K141 HydrophobicContact CE1-CB 3.95Å; K141-V143 VanDerWaalsContact C-N 3.33Å; K141-V143 WeakPolarHBondContact CD-O 3.28Å; K141-V143 WeakPolarHBondContact CG-O 3.49Å; K141-A144 WeakPolarHBondContact CE-O 3.2Å; K141-A144 PolarHBondContact NZ-O 3.3Å; K141-E146 HydrophobicContact CD-CB 4.24Å; K141-E146 WeakPolarHBondContact CD-O 3.11Å; K141-E146 PolarHBondContact NZ-O 2.91Å; K141-D148 IonicContact NZ-OD1 3.63Å; K141-D148 PolarHBondContact NZ-OD1 3.4Å
142R85.3Confident81.4Confident147 Ų14758.2 Ų58.256%0.55530%0.303SS*.SBendtrans-71.9-27.7177.6-66.8-168.5-178.8176.3-0.2113.2H84 I85 C87H84-R142 PolarHBondContact CE1-NH1 3.07Å; H84-R142 PolarHBondContact ND1-NH1 3.36Å; H84-R142 PolarHBondContact NE2-NH1 3.03Å; H84-R142 WeakPolarHBondContact O-CD 2.97Å; H84-R142 VanDerWaalsContact O-CZ 3.28Å; H84-R142 PolarHBondContact O-NE 3.37Å; I85-R142 PolarHBondContact O-N 2.89Å; C87-R142 VanDerWaalsContact SG-CG 3.5Å
143V82.3Confident82.6Confident68 Ų6854.5 Ų54.541%0.41228%0.279SS..SBendtrans-119.7125.7-175.8179.70000108.9K141 E145 E146K141-V143 VanDerWaalsContact C-N 3.33Å; K141-V143 WeakPolarHBondContact CD-O 3.28Å; K141-V143 WeakPolarHBondContact CG-O 3.49Å; V143-E145 VanDerWaalsContact C-N 3.3Å; V143-E145 HydrophobicContact CG1-CB 4.23Å; V143-E145 PolarHBondContact O-N 3.2Å; V143-E146 HydrophobicContact CB-CG 3.84Å; V143-E146 HydrophobicContact CG1-CG 4.16Å; V143-E146 WeakPolarHBondContact O-CB 3.23Å; V143-E146 PolarHBondContact O-N 3.08Å
144A76.7Confident83.6Confident87 Ų8752.2 Ų52.272%0.71926%0.262SS*.THydrogen-bonded Turntrans-65.5-31.9-174.900000113.4K141 E146K141-A144 WeakPolarHBondContact CE-O 3.2Å; K141-A144 PolarHBondContact NZ-O 3.3Å; A144-E146 PolarHBondContact O-N 3.12Å
145E77.3Confident84.5Confident179 Ų17952 Ų5284%0.83626%0.262SS*.THydrogen-bonded Turntrans-71.5-9.1179-62178.2179.200113.6V143V143-E145 VanDerWaalsContact C-N 3.3Å; V143-E145 HydrophobicContact CG1-CB 4.23Å; V143-E145 PolarHBondContact O-N 3.2Å
146E78.2Confident85Confident32 Ų3254.3 Ų54.315%0.1527%0.272CS..SBendtrans-77.8154-179.1-72.4-62.6157.200112.9K72 I85 K141 V143 A144K72-E146 IonicContact NZ-OE1 3.3Å; K72-E146 PolarHBondContact NZ-OE1 3Å; K72-E146 IonicContact NZ-OE2 3.72Å; K72-E146 PolarHBondContact NZ-OE2 2.74Å; I85-E146 HydrophobicContact CG2-CB 4.33Å; I85-E146 HydrophobicContact CG2-CG 3.96Å; K141-E146 HydrophobicContact CD-CB 4.24Å; K141-E146 WeakPolarHBondContact CD-O 3.11Å; K141-E146 PolarHBondContact NZ-O 2.91Å; V143-E146 HydrophobicContact CB-CG 3.84Å; V143-E146 HydrophobicContact CG1-CG 4.16Å; V143-E146 WeakPolarHBondContact O-CB 3.23Å; V143-E146 PolarHBondContact O-N 3.08Å; A144-E146 PolarHBondContact O-N 3.12Å
147N81.2Confident84.9Confident32 Ų3255.9 Ų55.917%0.17128%0.28CS..PPolyproline II helixtrans-57.9144.6178.2-75.7-7.6000111.1Y86 V121 L122Y86-N147 VanDerWaalsContact CE1-O 3.24Å; Y86-N147 WeakPolarHBondContact CE1-O 3.35Å; Y86-N147 PolarHBondContact OH-O 2.94Å; V121-N147 HydrophobicContact CG1-CB 4.02Å; L122-N147 WeakPolarHBondContact O-CB 3.41Å
148D83.7Confident84.8Confident18 Ų1853 Ų5310%0.09627%0.267CS..EExtended strand (participates in β ladder)trans-74.7131.7172.7-76.2-18.7000109.3L122 A125 K138 K141 F150L122-D148 PolarHBondContact N-O 3.29Å; L122-D148 PolarHBondContact O-N 2.76Å; A125-D148 VanDerWaalsContact CB-OD2 3.32Å; A125-D148 WeakPolarHBondContact CB-OD2 3.46Å; K138-D148 VanDerWaalsContact CE-OD1 3.24Å; K138-D148 WeakPolarHBondContact CE-OD1 3.22Å; K138-D148 VanDerWaalsContact CE-OD2 3.32Å; K138-D148 WeakPolarHBondContact CE-OD2 3.28Å; K138-D148 IonicContact NZ-OD1 2.69Å; K138-D148 PolarHBondContact NZ-OD1 2.83Å; K138-D148 IonicContact NZ-OD2 2.95Å; K138-D148 PolarHBondContact NZ-OD2 2.75Å; K141-D148 IonicContact NZ-OD1 3.63Å; K141-D148 PolarHBondContact NZ-OD1 3.4Å; D148-F150 HydrophobicContact CB-CE2 4.23Å
149V86.3Confident84.9Confident1 Ų149.2 Ų49.21%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-119.1133.1179.3178.60000109.6F82 Y86 F119 F120 V121 L139F82-V149 HydrophobicContact CZ-CG1 3.93Å; Y86-V149 HydrophobicContact CD1-CB 4.18Å; Y86-V149 HydrophobicContact CD1-CG2 4.06Å; Y86-V149 HydrophobicContact CD2-CG2 4.26Å; Y86-V149 HydrophobicContact CE1-CB 4Å; Y86-V149 HydrophobicContact CE1-CG2 3.47Å; Y86-V149 VanDerWaalsContact CE1-CG2 3.47Å; Y86-V149 HydrophobicContact CE2-CG2 3.69Å; Y86-V149 HydrophobicContact CG-CG2 4.42Å; Y86-V149 WeakPolarHBondContact OH-CG2 3.35Å; F119-V149 HydrophobicContact CB-CG1 4.38Å; F119-V149 HydrophobicContact CD1-CG1 4.09Å; F120-V149 WeakPolarHBondContact O-CA 3.05Å; V121-V149 HydrophobicContact CB-CG2 4.46Å; V121-V149 HydrophobicContact CG1-CG2 4.27Å; V121-V149 HydrophobicContact CG2-CG2 4.11Å; L139-V149 HydrophobicContact CD1-CB 4.2Å; L139-V149 HydrophobicContact CD1-CG1 3.71Å; L139-V149 HydrophobicContact CG-CG1 4.4Å; L139-V149 PolarHBondContact N-O 2.68Å
150F86.3Confident85Confident8 Ų853 Ų534%0.03528%0.277CS..EExtended strand (participates in β ladder)trans-109.8138.4174.7-67-99.7000109.6F119 F120 L122 L131 N132 F136 H137 K138 D148F119-F150 CarbonylContact C-O 3.42Å; F119-F150 WeakPolarHBondContact CA-O 3.42Å; F120-F150 HydrophobicContact CB-CB 4.32Å; F120-F150 PolarHBondContact N-O 3.05Å; F120-F150 PolarHBondContact O-N 3.18Å; L122-F150 HydrophobicContact CD1-CD2 3.95Å; L122-F150 HydrophobicContact CD1-CE2 3.58Å; L131-F150 HydrophobicContact CB-CD1 3.92Å; L131-F150 HydrophobicContact CB-CD2 4.45Å; L131-F150 HydrophobicContact CB-CE1 3.87Å; L131-F150 HydrophobicContact CB-CE2 4.44Å; L131-F150 HydrophobicContact CB-CG 4.21Å; L131-F150 HydrophobicContact CB-CZ 4.14Å; L131-F150 HydrophobicContact CD1-CD2 4.47Å; L131-F150 VanDerWaalsContact O-CD1 3.3Å; L131-F150 WeakPolarHBondContact O-CD1 3.33Å; L131-F150 WeakPolarHBondContact O-CE1 3.41Å; N132-F150 WeakPolarHBondContact OD1-CE1 3.48Å; F136-F150 HydrophobicContact CB-CB 4.18Å; F136-F150 HydrophobicContact CB-CD1 4.37Å; F136-F150 HydrophobicContact CD1-CB 3.81Å; F136-F150 HydrophobicContact CG-CB 4.3Å; H137-F150 CarbonylContact O-C 3.56Å; H137-F150 VanDerWaalsContact O-CA 3.29Å; H137-F150 WeakPolarHBondContact O-CA 3.22Å; K138-F150 HydrophobicContact CB-CD1 4.07Å; K138-F150 HydrophobicContact CB-CE1 3.76Å; K138-F150 HydrophobicContact CB-CZ 4.22Å; K138-F150 HydrophobicContact CD-CZ 4.3Å; K138-F150 HydrophobicContact CG-CE1 4.3Å; K138-F150 HydrophobicContact CG-CZ 4.26Å; D148-F150 HydrophobicContact CB-CE2 4.23Å
151C88.7Confident85.3Confident1 Ų149.6 Ų49.61%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-120.6127.9179.7-178.50000110I118 F119 H137 L139 Y153I118-C151 WeakPolarHBondContact O-CA 3.19Å; F119-C151 HydrophobicContact CD1-CB 3.84Å; F119-C151 HydrophobicContact CE1-CB 3.75Å; F119-C151 WeakPolarHBondContact CE1-SG 3.3Å; H137-C151 PolarHBondContact N-O 3.12Å; H137-C151 PolarHBondContact O-N 3.24Å; L139-C151 HydrophobicContact CD1-CB 4.23Å; L139-C151 HydrophobicContact CD2-CB 3.78Å; L139-C151 HydrophobicContact CG-CB 4.03Å; C151-Y153 WeakPolarHBondContact SG-CE1 3.31Å
152A88.4Confident85.7Confident0 Ų052.2 Ų52.20%026%0.264CS..EExtended strand (participates in β ladder)trans-99134.3164.400000109.7L105 I118 P135 F136L105-A152 HydrophobicContact CD1-CB 3.9Å; L105-A152 HydrophobicContact CD2-CB 4.01Å; I118-A152 HydrophobicContact CB-CB 4.42Å; I118-A152 PolarHBondContact N-O 3.3Å; I118-A152 PolarHBondContact O-N 3.31Å; P135-A152 VanDerWaalsContact O-CA 3.28Å; P135-A152 WeakPolarHBondContact O-CA 3.45Å; F136-A152 HydrophobicContact CD1-CB 3.82Å; F136-A152 HydrophobicContact CE1-CB 3.7Å; F136-A152 HydrophobicContact CG-CB 4.32Å; F136-A152 HydrophobicContact CZ-CB 4.13Å
153Y89.9Confident86Confident51 Ų5146.6 Ų46.620%0.225%0.248CC..EExtended strand (participates in β ladder)trans-101.9133.3-177.8-60.3-75000111.2Y117 H137 C151 H155 E156Y117-Y153 AromaticContact CD1-CD1 3.65Å; Y117-Y153 HydrophobicContact CD1-CD1 3.65Å; Y117-Y153 AromaticContact CD1-CE1 3.79Å; Y117-Y153 HydrophobicContact CD1-CE1 3.79Å; Y117-Y153 AromaticContact CE1-CD1 3.7Å; Y117-Y153 HydrophobicContact CE1-CD1 3.7Å; Y117-Y153 AromaticContact CE1-CE1 3.76Å; Y117-Y153 HydrophobicContact CE1-CE1 3.76Å; H137-Y153 HydrophobicContact CB-CE2 4.11Å; H137-Y153 AromaticContact CD2-CD2 3.46Å; H137-Y153 VanDerWaalsContact CD2-CD2 3.46Å; H137-Y153 WeakPolarHBondContact CD2-CD2 3.49Å; H137-Y153 AromaticContact CD2-CE2 3.39Å; H137-Y153 WeakPolarHBondContact CD2-CE2 3.36Å; H137-Y153 AromaticContact CG-CE2 3.9Å; H137-Y153 AromaticContact NE2-CD2 3.96Å; C151-Y153 WeakPolarHBondContact SG-CE1 3.31Å; Y153-H155 VanDerWaalsContact C-N 3.27Å; Y153-H155 VanDerWaalsContact CB-CE1 3.42Å; Y153-H155 WeakPolarHBondContact CB-CE1 3.19Å; Y153-H155 AromaticContact CD1-CE1 3.92Å; Y153-H155 AromaticContact CG-CE1 3.75Å; Y153-H155 PolarHBondContact O-N 2.74Å; Y153-E156 PolarHBondContact O-N 2.89Å
154R89.5Confident86.6Confident10 Ų1045.9 Ų45.94%0.03824%0.238CC..Hα-helixtrans-53.2-45.9176.8-179.1-174.1-170.373.77.9112F109 V115 H116 E156 I157 F158 S349F109-R154 HydrophobicContact CD1-CB 3.81Å; F109-R154 HydrophobicContact CD1-CG 3.98Å; F109-R154 HydrophobicContact CE1-CB 3.65Å; F109-R154 HydrophobicContact CE1-CG 4.34Å; F109-R154 HydrophobicContact CG-CB 4.42Å; F109-R154 HydrophobicContact CG-CG 4.36Å; F109-R154 HydrophobicContact CZ-CB 4.13Å; F109-R154 PolarHBondContact O-NH1 3.03Å; F109-R154 PolarHBondContact O-NH2 3.49Å; V115-R154 WeakPolarHBondContact O-CD 3.35Å; V115-R154 PolarHBondContact O-NH1 3.41Å; H116-R154 PolarHBondContact O-N 3.1Å; R154-E156 PolarHBondContact O-N 2.95Å; R154-I157 PolarHBondContact O-N 3.19Å; R154-I157 VanDerWaalsContact O-N 3.08Å; R154-F158 HydrophobicContact CG-CB 4.47Å; R154-F158 PolarHBondContact O-N 2.93Å; R154-S349 PolarHBondContact NH2-O 3.25Å; R154-S349 VanDerWaalsContact NH2-O 3.14Å; R154-S349 PolarHBondContact NH2-OG 3.45Å
155H88.7Confident87.5Confident100 Ų10045 Ų4546%0.46322%0.224SC..Hα-helixtrans-68.2-13.8-173.460.6-95.2000113.9Y153 F158 P159 V160Y153-H155 VanDerWaalsContact C-N 3.27Å; Y153-H155 VanDerWaalsContact CB-CE1 3.42Å; Y153-H155 WeakPolarHBondContact CB-CE1 3.19Å; Y153-H155 AromaticContact CD1-CE1 3.92Å; Y153-H155 AromaticContact CG-CE1 3.75Å; Y153-H155 PolarHBondContact O-N 2.74Å; H155-F158 WeakPolarHBondContact CA-O 3.34Å; H155-P159 WeakPolarHBondContact O-CA 3.19Å; H155-V160 HydrophobicContact CB-CG2 3.93Å
156E86.1Confident88.2Confident59 Ų5936.9 Ų36.928%0.27619%0.188SC..Hα-helixtrans-82.8-27.3173.4-70.4-176.7164.500112.4F134 H137 Y153 R154F134-E156 HydrophobicContact CE2-CB 3.8Å; F134-E156 HydrophobicContact CE2-CG 4.4Å; F134-E156 HydrophobicContact CZ-CB 4.16Å; H137-E156 IonicContact CD2-OE1 2.77Å; H137-E156 IonicContact CD2-OE2 2.93Å; H137-E156 PolarHBondContact CD2-OE2 3.41Å; H137-E156 IonicContact CE1-OE1 2.76Å; H137-E156 PolarHBondContact CE1-OE1 2.98Å; H137-E156 IonicContact CE1-OE2 2.94Å; H137-E156 IonicContact NE2-OE1 3.77Å; H137-E156 PolarHBondContact NE2-OE1 3.4Å; H137-E156 IonicContact NE2-OE2 2.97Å; H137-E156 PolarHBondContact NE2-OE2 3.31Å; Y153-E156 PolarHBondContact O-N 2.89Å; R154-E156 PolarHBondContact O-N 2.95Å
157I83.3Confident88.9Confident39 Ų3936.8 Ų36.820%0.219%0.193CC..Hα-helixtrans-97.1-42.5179.3-59.1179.2000111L105 K106 F109 P135 R154L105-I157 HydrophobicContact CB-CD1 3.66Å; L105-I157 HydrophobicContact CD1-CD1 4.17Å; K106-I157 HydrophobicContact CB-CG2 4.06Å; K106-I157 HydrophobicContact CG-CG2 4.13Å; F109-I157 HydrophobicContact CD2-CD1 3.79Å; F109-I157 HydrophobicContact CE2-CD1 3.75Å; P135-I157 HydrophobicContact CB-CD1 4.12Å; P135-I157 HydrophobicContact CB-CG1 4.08Å; P135-I157 HydrophobicContact CG-CD1 3.91Å; P135-I157 HydrophobicContact CG-CG1 4.35Å; R154-I157 PolarHBondContact O-N 3.19Å; R154-I157 VanDerWaalsContact O-N 3.08Å
158F84.8Confident89.3Confident10 Ų1037.7 Ų37.74%0.04420%0.2CC..SBendtrans-119.891.8174.1-67.3-75.1000109.1K106 F109 M110 R154 H155 R350K106-F158 HydrophobicContact CG-CE2 4.23Å; K106-F158 HydrophobicContact CG-CZ 3.78Å; K106-F158 VanDerWaalsContact O-CE2 3.28Å; K106-F158 WeakPolarHBondContact O-CE2 2.88Å; F109-F158 HydrophobicContact CB-CD2 3.82Å; F109-F158 HydrophobicContact CB-CE2 3.69Å; M110-F158 HydrophobicContact CB-CE2 4.43Å; M110-F158 HydrophobicContact CB-CZ 4.1Å; R154-F158 HydrophobicContact CG-CB 4.47Å; R154-F158 PolarHBondContact O-N 2.93Å; H155-F158 WeakPolarHBondContact CA-O 3.34Å; F158-R350 HydrophobicContact CB-CG 4.24Å; F158-R350 PolarHBondContact O-NH1 2.79Å
159P87.3Confident89.6Confident31 Ų3144 Ų4420%0.20123%0.228CC..PPolyproline II helixtrans-55.7147.9-175.521.8-31.6000111.8H155 L161 Y212 F347 R350H155-P159 WeakPolarHBondContact O-CA 3.19Å; P159-L161 PolarHBondContact O-N 2.86Å; P159-Y212 HydrophobicContact CB-CD2 4.08Å; P159-Y212 HydrophobicContact CB-CE2 3.66Å; P159-Y212 HydrophobicContact CG-CD2 3.66Å; P159-Y212 HydrophobicContact CG-CE2 3.23Å; P159-F347 HydrophobicContact CG-CE1 4.28Å; P159-R350 PolarHBondContact O-NE 2.86Å
160V89.3Confident89.7Confident96 Ų9644.5 Ų44.558%0.58223%0.231SC*.PPolyproline II helixtrans-67.1123.3173.8-176.20000108.3H155 R350H155-V160 HydrophobicContact CB-CG2 3.93Å; V160-R350 VanDerWaalsContact CA-NH2 3.32Å
161L92.7Very high89.8Confident5 Ų544.9 Ų44.93%0.02623%0.234CC..PPolyproline II helixtrans-80.4136.6178.6-59.6-178.9000109.5P159 S163 V210 V217 M343 F347 R350 D353P159-L161 PolarHBondContact O-N 2.86Å; L161-S163 PolarHBondContact O-N 2.82Å; L161-V210 HydrophobicContact CB-CB 3.91Å; L161-V210 HydrophobicContact CB-CG1 3.88Å; L161-V210 HydrophobicContact CD1-CB 4.01Å; L161-V210 HydrophobicContact CD1-CG1 4.43Å; L161-V210 HydrophobicContact CD1-CG2 3.94Å; L161-V217 HydrophobicContact CD1-CG2 4.21Å; L161-V217 HydrophobicContact CD2-CG2 4.03Å; L161-M343 HydrophobicContact CD1-SD 4.36Å; L161-F347 HydrophobicContact CD1-CB 4.21Å; L161-F347 HydrophobicContact CD1-CD1 4.41Å; L161-F347 HydrophobicContact CD2-CD1 3.74Å; L161-F347 HydrophobicContact CD2-CE1 4.03Å; L161-F347 HydrophobicContact CD2-CG 4.47Å; L161-R350 HydrophobicContact CD1-CB 3.67Å; L161-R350 HydrophobicContact CD1-CG 4.46Å; L161-R350 HydrophobicContact CG-CB 4.01Å; L161-R350 HydrophobicContact CG-CG 4.4Å; L161-D353 HydrophobicContact CB-CB 4.24Å; L161-D353 PolarHBondContact N-OD2 3.16Å
162F93Very high89.7Confident122 Ų12251 Ų5154%0.53527%0.267SS..EExtended strand (participates in β ladder)trans-82.6116.2174.2-179.3-107.7000108.7R164 V210 E211F162-R164 HydrophobicContact CD1-CB 4.32Å; F162-R164 HydrophobicContact CD1-CG 4.29Å; F162-R164 HydrophobicContact CE1-CB 3.78Å; F162-R164 HydrophobicContact CE1-CG 4.08Å; F162-R164 HydrophobicContact CZ-CB 4.45Å; F162-V210 WeakPolarHBondContact O-CA 3.38Å; F162-E211 HydrophobicContact CB-CG 3.92Å; F162-E211 HydrophobicContact CD1-CG 3.86Å; F162-E211 VanDerWaalsContact CD1-OE1 3.23Å; F162-E211 WeakPolarHBondContact CD1-OE1 3Å; F162-E211 HydrophobicContact CG-CG 4.4Å; F162-E211 PolarHBondContact N-O 2.8Å; F162-E211 PolarHBondContact O-N 3.34Å
163S93.4Very high89.8Confident29 Ų2954.1 Ų54.120%0.20328%0.283CS..EExtended strand (participates in β ladder)trans-91133.4173.950.30000110.4L161 V209 D353 L357L161-S163 PolarHBondContact O-N 2.82Å; S163-V209 WeakPolarHBondContact CA-O 3.28Å; S163-D353 PolarHBondContact OG-O 2.82Å; S163-D353 VanDerWaalsContact OG-O 3.05Å; S163-L357 VanDerWaalsContact C-CD2 3.43Å
164R94.7Very high89.8Confident54 Ų5451.7 Ų51.720%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-145.7162.5173.659.3167.5174.480.21111.2F162 D170 V209 E211 L357F162-R164 HydrophobicContact CD1-CB 4.32Å; F162-R164 HydrophobicContact CD1-CG 4.29Å; F162-R164 HydrophobicContact CE1-CB 3.78Å; F162-R164 HydrophobicContact CE1-CG 4.08Å; F162-R164 HydrophobicContact CZ-CB 4.45Å; R164-D170 IonicContact CZ-OD1 2.71Å; R164-D170 IonicContact CZ-OD2 3.89Å; R164-D170 IonicContact NH1-OD1 2.86Å; R164-D170 PolarHBondContact NH1-OD1 2.9Å; R164-D170 IonicContact NH1-OD2 3.55Å; R164-D170 PolarHBondContact NH1-OD2 2.81Å; R164-D170 IonicContact NH2-OD1 2.88Å; R164-D170 PolarHBondContact NH2-OD1 3.17Å; R164-D170 IonicContact NH2-OD2 2.77Å; R164-V209 PolarHBondContact N-O 3.03Å; R164-V209 PolarHBondContact O-N 3.04Å; R164-V209 VanDerWaalsContact O-O 3.13Å; R164-E211 IonicContact CZ-OE2 3.71Å; R164-E211 VanDerWaalsContact CZ-OE2 3.32Å; R164-E211 IonicContact NE-OE2 3.33Å; R164-E211 PolarHBondContact NE-OE2 3.15Å; R164-E211 IonicContact NH2-OE2 2.53Å; R164-E211 PolarHBondContact NH2-OE2 3.26Å; R164-L357 VanDerWaalsContact C-CD2 3.42Å; R164-L357 VanDerWaalsContact N-CD2 3.33Å
165P93.9Very high89.7Confident67 Ų6752.3 Ų52.344%0.43528%0.279SS..EExtended strand (participates in β ladder)trans-54.8142.2168.3-23.835.2000110.9
166A93.1Very high89.7Confident9 Ų951.4 Ų51.47%0.07428%0.282CS..  trans-67.1138.5178.100000110.5V198 Q201 C207 V209 F219A166-V198 HydrophobicContact CB-CG1 4.04Å; A166-V198 HydrophobicContact CB-CG2 3.93Å; A166-Q201 PolarHBondContact O-NE2 3.09Å; A166-Q201 VanDerWaalsContact O-NE2 3.15Å; A166-C207 HydrophobicContact CB-CB 3.61Å; A166-C207 PolarHBondContact N-O 2.91Å; A166-V209 HydrophobicContact CB-CG2 3.63Å; A166-F219 HydrophobicContact CB-CD2 4.41Å; A166-F219 HydrophobicContact CB-CE2 4.06Å
167A92.8Very high89.7Confident31 Ų3149.6 Ų49.626%0.25627%0.274SS..  trans-115.4156.217400000109.9E169 D170A167-E169 WeakPolarHBondContact CB-OE2 3.31Å; A167-E169 PolarHBondContact O-N 3.42Å; A167-D170 PolarHBondContact N-OD2 3.43Å; A167-D170 VanDerWaalsContact O-CB 3.32Å; A167-D170 WeakPolarHBondContact O-CB 3.38Å; A167-D170 PolarHBondContact O-N 3.09Å
168V90.3Very high89.9Confident51 Ų5148.4 Ų48.431%0.30927%0.268SS..G310 helixtrans-64.3-28.1-174.7-176.80000110.8D170 T171 V198 E199V168-D170 PolarHBondContact O-N 3.39Å; V168-T171 WeakPolarHBondContact O-CB 3.38Å; V168-T171 WeakPolarHBondContact O-CG2 3.34Å; V168-T171 PolarHBondContact O-N 3.26Å; V168-T171 PolarHBondContact O-OG1 3.31Å; V168-V198 HydrophobicContact CG2-CG1 4.16Å; V168-E199 HydrophobicContact CG2-CG 3.55Å
169E89.6Confident90Very high150 Ų15048.9 Ų48.970%0.70127%0.271SS*.G310 helixtrans-64.8-22.3176.4-54.884.2178.600113.3A167 T171A167-E169 WeakPolarHBondContact CB-OE2 3.31Å; A167-E169 PolarHBondContact O-N 3.42Å; E169-T171 PolarHBondContact O-N 2.69Å
170D88.9Confident89.8Confident11 Ų1154.2 Ų54.26%0.05930%0.298CS..G310 helixtrans-70.1-15179-60.4-44.8000112.3R164 A167 V168 D172 D173 L174 V209 A216R164-D170 IonicContact CZ-OD1 2.71Å; R164-D170 IonicContact CZ-OD2 3.89Å; R164-D170 IonicContact NH1-OD1 2.86Å; R164-D170 PolarHBondContact NH1-OD1 2.9Å; R164-D170 IonicContact NH1-OD2 3.55Å; R164-D170 PolarHBondContact NH1-OD2 2.81Å; R164-D170 IonicContact NH2-OD1 2.88Å; R164-D170 PolarHBondContact NH2-OD1 3.17Å; R164-D170 IonicContact NH2-OD2 2.77Å; A167-D170 PolarHBondContact N-OD2 3.43Å; A167-D170 VanDerWaalsContact O-CB 3.32Å; A167-D170 WeakPolarHBondContact O-CB 3.38Å; A167-D170 PolarHBondContact O-N 3.09Å; V168-D170 PolarHBondContact O-N 3.39Å; D170-D172 PolarHBondContact O-N 3.38Å; D170-D173 PolarHBondContact O-N 2.92Å; D170-D173 VanDerWaalsContact O-N 3.09Å; D170-L174 HydrophobicContact CB-CD1 3.92Å; D170-L174 HydrophobicContact CB-CG 4.39Å; D170-L174 VanDerWaalsContact O-CG 3.29Å; D170-L174 WeakPolarHBondContact O-CG 3.17Å; D170-L174 PolarHBondContact O-N 3.43Å; D170-V209 HydrophobicContact CB-CG2 4.35Å; D170-A216 HydrophobicContact CB-CB 4.24Å
171T87.1Confident89.2Confident16 Ų1655.2 Ų55.210%0.09830%0.296CS..Hα-helixtrans-63.8-28.5-172.459.90000112.7V168 E169 D173 L174 T175 V194 S195V168-T171 WeakPolarHBondContact O-CB 3.38Å; V168-T171 WeakPolarHBondContact O-CG2 3.34Å; V168-T171 PolarHBondContact O-N 3.26Å; V168-T171 PolarHBondContact O-OG1 3.31Å; E169-T171 PolarHBondContact O-N 2.69Å; T171-D173 VanDerWaalsContact C-N 3.31Å; T171-D173 PolarHBondContact O-N 2.98Å; T171-L174 PolarHBondContact O-N 3.38Å; T171-T175 WeakPolarHBondContact O-CB 3.48Å; T171-T175 PolarHBondContact O-N 3.32Å; T171-T175 PolarHBondContact O-OG1 3.25Å; T171-V194 HydrophobicContact CG2-CB 4.15Å; T171-V194 HydrophobicContact CG2-CG1 3.95Å; T171-S195 VanDerWaalsContact CG2-CA 3.47Å
172D87.9Confident88.6Confident131 Ų13157.5 Ų57.570%0.70131%0.313SS*.Hα-helixtrans-66.3-34.4177.6-72.6-6.9000111.7D170 P176D170-D172 PolarHBondContact O-N 3.38Å; D172-P176 WeakPolarHBondContact O-CD 3.46Å; D172-P176 VanDerWaalsContact O-CG 3.24Å; D172-P176 WeakPolarHBondContact O-CG 3.5Å
173D89.7Confident88.2Confident64 Ų6457.8 Ų57.834%0.34231%0.314SS..Hα-helixtrans-82.1-37.7176.4-77.7-22.8000111.9D170 T171 R215 A216D170-D173 PolarHBondContact O-N 2.92Å; D170-D173 VanDerWaalsContact O-N 3.09Å; T171-D173 VanDerWaalsContact C-N 3.31Å; T171-D173 PolarHBondContact O-N 2.98Å; D173-R215 WeakPolarHBondContact OD2-CA 3.41Å; D173-A216 HydrophobicContact CB-CB 3.82Å; D173-A216 PolarHBondContact OD2-N 3.48Å
174L89.2Confident87.7Confident0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-82.4-37.8-172.4-65.8176.2000113.9D170 T171 L177 I178 V194 V209 A216 F219D170-L174 HydrophobicContact CB-CD1 3.92Å; D170-L174 HydrophobicContact CB-CG 4.39Å; D170-L174 VanDerWaalsContact O-CG 3.29Å; D170-L174 WeakPolarHBondContact O-CG 3.17Å; D170-L174 PolarHBondContact O-N 3.43Å; T171-L174 PolarHBondContact O-N 3.38Å; L174-L177 WeakPolarHBondContact O-CB 3.5Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L177 VanDerWaalsContact O-N 3.1Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 2.89Å; L174-V194 HydrophobicContact CB-CG1 4.28Å; L174-V194 HydrophobicContact CD1-CG1 4.37Å; L174-V209 HydrophobicContact CD1-CG2 3.85Å; L174-A216 HydrophobicContact CD2-CB 3.75Å; L174-A216 HydrophobicContact CG-CB 3.97Å; L174-F219 HydrophobicContact CD1-CB 3.91Å; L174-F219 HydrophobicContact CD1-CD2 3.49Å; L174-F219 VanDerWaalsContact CD1-CD2 3.49Å; L174-F219 HydrophobicContact CD1-CE2 4.17Å; L174-F219 HydrophobicContact CD1-CG 3.87Å; L174-F219 HydrophobicContact CD2-CB 3.56Å; L174-F219 HydrophobicContact CD2-CG 4.41Å; L174-F219 HydrophobicContact CG-CB 4.31Å
175T88.7Confident87.2Confident23 Ų2361.3 Ų61.314%0.14133%0.333CS..Hα-helixtrans-60.9-45.4-177.4-57.60000111.8T171 L177 I178 N179 Y193T171-T175 WeakPolarHBondContact O-CB 3.48Å; T171-T175 PolarHBondContact O-N 3.32Å; T171-T175 PolarHBondContact O-OG1 3.25Å; T175-L177 VanDerWaalsContact C-N 3.3Å; T175-L177 PolarHBondContact O-N 3.31Å; T175-I178 PolarHBondContact O-N 3.26Å; T175-N179 VanDerWaalsContact CG2-ND2 3.3Å; T175-N179 WeakPolarHBondContact CG2-ND2 3.5Å; T175-N179 WeakPolarHBondContact O-CB 3.36Å; T175-N179 PolarHBondContact O-N 2.9Å; T175-N179 PolarHBondContact O-ND2 3.27Å; T175-Y193 HydrophobicContact CG2-CE1 4.41Å
176P88.2Confident86.9Confident81 Ų8160.5 Ų60.553%0.52632%0.323SS..Hα-helixtrans-59.2-41.4172.3-23.134.2000112.4D172 N179 D180D172-P176 WeakPolarHBondContact O-CD 3.46Å; D172-P176 VanDerWaalsContact O-CG 3.24Å; D172-P176 WeakPolarHBondContact O-CG 3.5Å; P176-N179 PolarHBondContact O-N 2.72Å; P176-D180 WeakPolarHBondContact O-CB 3.29Å; P176-D180 PolarHBondContact O-N 3.29Å
177L86.9Confident86.7Confident21 Ų2168.3 Ų68.311%0.1136%0.356CS..Hα-helixtrans-62.9-45.9-179.4-172.767.1000111.7L174 T175 I342 K344L174-L177 WeakPolarHBondContact O-CB 3.5Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L177 VanDerWaalsContact O-N 3.1Å; T175-L177 VanDerWaalsContact C-N 3.3Å; T175-L177 PolarHBondContact O-N 3.31Å; L177-I342 VanDerWaalsContact C-CD1 3.48Å; L177-I342 HydrophobicContact CB-CD1 4.45Å; L177-I342 HydrophobicContact CD2-CD1 4.39Å; L177-I342 HydrophobicContact CD2-CG1 4Å; L177-I342 HydrophobicContact CD2-CG2 4.16Å; L177-I342 HydrophobicContact CG-CD1 3.79Å; L177-I342 HydrophobicContact CG-CG1 3.89Å; L177-I342 WeakPolarHBondContact O-CD1 3.34Å; L177-K344 HydrophobicContact CD1-CB 4.48Å; L177-K344 HydrophobicContact CD1-CG 3.47Å; L177-K344 VanDerWaalsContact CD1-CG 3.47Å; L177-K344 HydrophobicContact CD2-CG 4.18Å; L177-K344 HydrophobicContact CG-CG 4.49Å
178I86Confident86.5Confident14 Ų1471 Ų717%0.07237%0.369CS..Hα-helixtrans-69.4-41.6178.6-59.6164.9000111.1L174 T175 D180 Q181 S182 L185 Y193 V194 F219 I342L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 2.89Å; T175-I178 PolarHBondContact O-N 3.26Å; I178-D180 VanDerWaalsContact C-N 3.27Å; I178-D180 PolarHBondContact O-N 2.89Å; I178-Q181 PolarHBondContact O-N 2.7Å; I178-S182 PolarHBondContact O-N 2.77Å; I178-L185 HydrophobicContact CG2-CD1 4.13Å; I178-Y193 VanDerWaalsContact CB-OH 3.28Å; I178-Y193 WeakPolarHBondContact CB-OH 3.4Å; I178-Y193 HydrophobicContact CD1-CE2 4.5Å; I178-Y193 HydrophobicContact CG2-CE2 4.4Å; I178-Y193 WeakPolarHBondContact CG2-OH 3.17Å; I178-V194 HydrophobicContact CD1-CG2 3.81Å; I178-F219 HydrophobicContact CD1-CD1 4.41Å; I178-I342 VanDerWaalsContact CA-CD1 3.42Å; I178-I342 HydrophobicContact CB-CD1 4.18Å; I178-I342 HydrophobicContact CD1-CG2 4.44Å; I178-I342 HydrophobicContact CG1-CB 4.42Å; I178-I342 HydrophobicContact CG1-CD1 3.86Å; I178-I342 HydrophobicContact CG1-CG2 3.81Å
179N86.4Confident86.4Confident20 Ų2075.8 Ų75.811%0.10738%0.383CS..Hα-helixtrans-70.8-22.7-179.2-68.4-14.5000113.2T175 P176 Q181 K183 Q186 Y193T175-N179 VanDerWaalsContact CG2-ND2 3.3Å; T175-N179 WeakPolarHBondContact CG2-ND2 3.5Å; T175-N179 WeakPolarHBondContact O-CB 3.36Å; T175-N179 PolarHBondContact O-N 2.9Å; T175-N179 PolarHBondContact O-ND2 3.27Å; P176-N179 PolarHBondContact O-N 2.72Å; N179-Q181 VanDerWaalsContact C-N 3.33Å; N179-K183 HydrophobicContact CB-CG 4.4Å; N179-K183 WeakPolarHBondContact O-CG 3.44Å; N179-Q186 PolarHBondContact ND2-OE1 3.02Å; N179-Y193 PolarHBondContact OD1-OH 3.31Å; N179-Y193 VanDerWaalsContact OD1-OH 3.1Å
180D83.4Confident86.4Confident144 Ų14470.2 Ų70.277%0.7737%0.366SS*.Hα-helixtrans-63.5-40.6170.8-169.261000111P176 I178P176-D180 WeakPolarHBondContact O-CB 3.29Å; P176-D180 PolarHBondContact O-N 3.29Å; I178-D180 VanDerWaalsContact C-N 3.27Å; I178-D180 PolarHBondContact O-N 2.89Å
181Q77.6Confident86.3Confident116 Ų11674.6 Ų74.654%0.54239%0.389SS..Hα-helixtrans-80.7-43.8177.2-63.9-170.3-8.200113I178 N179 I342I178-Q181 PolarHBondContact O-N 2.7Å; N179-Q181 VanDerWaalsContact C-N 3.33Å; Q181-I342 HydrophobicContact CB-CD1 4.45Å; Q181-I342 VanDerWaalsContact CD-CD1 3.44Å; Q181-I342 HydrophobicContact CG-CD1 3.93Å
182S80.9Confident86.3Confident54 Ų5481.7 Ų81.738%0.37842%0.415SS..  trans-157.3120179.8-177.30000113.1I178 L184I178-S182 PolarHBondContact O-N 2.77Å; S182-L184 PolarHBondContact O-N 3.15Å; S182-L184 VanDerWaalsContact OG-CB 3.31Å; S182-L184 WeakPolarHBondContact OG-CB 3.27Å; S182-L184 PolarHBondContact OG-N 2.97Å
183K83Confident86.4Confident128 Ų12876.1 Ų76.156%0.55738%0.384SS*.THydrogen-bonded Turntrans-79.64.7171.4-59.1-172-179.7-175.40113.7N179 K187N179-K183 HydrophobicContact CB-CG 4.4Å; N179-K183 WeakPolarHBondContact O-CG 3.44Å; K183-K187 WeakPolarHBondContact O-CG 3.34Å; K183-K187 PolarHBondContact O-N 2.86Å; K183-K187 VanDerWaalsContact O-N 3.1Å
184L84Confident86.3Confident114 Ų11473.1 Ų73.160%0.59737%0.368SS*.Hα-helixtrans-64.4-41.8-176.5-177.863.9000111.7S182 K187 T188S182-L184 PolarHBondContact O-N 3.15Å; S182-L184 VanDerWaalsContact OG-CB 3.31Å; S182-L184 WeakPolarHBondContact OG-CB 3.27Å; S182-L184 PolarHBondContact OG-N 2.97Å; L184-K187 PolarHBondContact O-N 3.12Å; L184-T188 WeakPolarHBondContact O-CB 3.34Å; L184-T188 PolarHBondContact O-N 3.49Å; L184-T188 VanDerWaalsContact O-N 3.09Å; L184-T188 PolarHBondContact O-OG1 3.39Å
185L84.2Confident86.4Confident43 Ų4373.8 Ų73.823%0.22537%0.373CS..Hα-helixtrans-66.8-47.7-179.4-64.7174.5000111.2I178 K187 T188 Y189 Y193 L340I178-L185 HydrophobicContact CG2-CD1 4.13Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 2.97Å; L185-T188 PolarHBondContact O-N 3.05Å; L185-Y189 HydrophobicContact CD2-CD2 4.36Å; L185-Y189 HydrophobicContact CD2-CE2 4.16Å; L185-Y189 PolarHBondContact O-N 2.95Å; L185-Y193 HydrophobicContact CB-CD2 3.99Å; L185-Y193 HydrophobicContact CB-CE1 4.47Å; L185-Y193 HydrophobicContact CB-CE2 3.63Å; L185-Y193 HydrophobicContact CD1-CE2 3.96Å; L185-Y193 HydrophobicContact CG-CE2 4.44Å; L185-L340 HydrophobicContact CD1-CD1 4.37Å; L185-L340 HydrophobicContact CD1-CD2 3.68Å
186Q86.6Confident86.5Confident49 Ų4978 Ų7823%0.22939%0.391CS..Hα-helixtrans-54.9-42.5174.4-173-17727.200112.2N179 T188 G190 D191 Y193N179-Q186 PolarHBondContact ND2-OE1 3.02Å; Q186-T188 VanDerWaalsContact C-N 3.32Å; Q186-T188 PolarHBondContact O-N 3.46Å; Q186-G190 WeakPolarHBondContact CA-O 3.09Å; Q186-G190 CarbonylContact O-C 3.56Å; Q186-G190 VanDerWaalsContact O-C 3.3Å; Q186-G190 WeakPolarHBondContact O-CA 3.48Å; Q186-G190 PolarHBondContact O-N 3.17Å; Q186-D191 WeakPolarHBondContact CG-OD1 3.46Å; Q186-D191 PolarHBondContact NE2-OD1 3.42Å; Q186-Y193 HydrophobicContact CB-CD1 4.42Å; Q186-Y193 HydrophobicContact CB-CE1 4Å
187K88.9Confident86.6Confident174 Ų17475.7 Ų75.776%0.75737%0.374SS*.Hα-helixtrans-68-30.4177.3-74.6177.6-179.9-177.60113.7K183 L184 L185K183-K187 WeakPolarHBondContact O-CG 3.34Å; K183-K187 PolarHBondContact O-N 2.86Å; K183-K187 VanDerWaalsContact O-N 3.1Å; L184-K187 PolarHBondContact O-N 3.12Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 2.97Å
188T88.7Confident86.8Confident88 Ų8875 Ų7554%0.5437%0.371SS..Hα-helixtrans-87.4-39.4-173.3-53.40000111.7L184 L185 Q186L184-T188 WeakPolarHBondContact O-CB 3.34Å; L184-T188 PolarHBondContact O-N 3.49Å; L184-T188 VanDerWaalsContact O-N 3.09Å; L184-T188 PolarHBondContact O-OG1 3.39Å; L185-T188 PolarHBondContact O-N 3.05Å; Q186-T188 VanDerWaalsContact C-N 3.32Å; Q186-T188 PolarHBondContact O-N 3.46Å
189Y88Confident87.1Confident151 Ų15180.8 Ų80.859%0.59240%0.398SS*.Hα-helixtrans-113.6-3.6-173.2-62.2-73.1000113.5L185 Y193L185-Y189 HydrophobicContact CD2-CD2 4.36Å; L185-Y189 HydrophobicContact CD2-CE2 4.16Å; L185-Y189 PolarHBondContact O-N 2.95Å; Y189-Y193 VanDerWaalsContact CB-CB 3.5Å
190G89.3Confident87.3Confident33 Ų3382.5 Ų82.534%0.3442%0.415SS..  trans90.2-177.3-178.100000113.3Q186 Y192 Y193Q186-G190 WeakPolarHBondContact CA-O 3.09Å; Q186-G190 CarbonylContact O-C 3.56Å; Q186-G190 VanDerWaalsContact O-C 3.3Å; Q186-G190 WeakPolarHBondContact O-CA 3.48Å; Q186-G190 PolarHBondContact O-N 3.17Å; G190-Y192 VanDerWaalsContact C-N 3.3Å; G190-Y192 PolarHBondContact O-N 2.98Å; G190-Y193 VanDerWaalsContact O-CD1 3.28Å; G190-Y193 WeakPolarHBondContact O-CD1 3.14Å
191D86.9Confident87.7Confident102 Ų10278.2 Ų78.255%0.54539%0.39SS..THydrogen-bonded Turntrans-71.8-22-173.5-67.5-37.9000113.8Q186Q186-D191 WeakPolarHBondContact CG-OD1 3.46Å; Q186-D191 PolarHBondContact NE2-OD1 3.42Å
192Y88.2Confident88.4Confident166 Ų16676.6 Ų76.665%0.65139%0.385SS*.THydrogen-bonded Turntrans-101.716.2-174.2-60.2-70.7000113.6G190 V194 S195 E196G190-Y192 VanDerWaalsContact C-N 3.3Å; G190-Y192 PolarHBondContact O-N 2.98Å; Y192-V194 VanDerWaalsContact C-N 3.27Å; Y192-V194 PolarHBondContact O-N 3.44Å; Y192-S195 WeakPolarHBondContact CB-OG 3.25Å; Y192-S195 PolarHBondContact O-N 3.06Å; Y192-S195 VanDerWaalsContact O-N 3.15Å; Y192-S195 PolarHBondContact O-OG 3.32Å; Y192-E196 WeakPolarHBondContact O-CG 3.45Å; Y192-E196 PolarHBondContact O-N 2.85Å
193Y89.3Confident88.8Confident13 Ų1379.6 Ų79.65%0.05140%0.397CS..Hα-helixtrans-61.7-31.8-174.475.9-82.6000113.9T175 I178 N179 L185 Q186 Y189 G190 L197T175-Y193 HydrophobicContact CG2-CE1 4.41Å; I178-Y193 VanDerWaalsContact CB-OH 3.28Å; I178-Y193 WeakPolarHBondContact CB-OH 3.4Å; I178-Y193 HydrophobicContact CD1-CE2 4.5Å; I178-Y193 HydrophobicContact CG2-CE2 4.4Å; I178-Y193 WeakPolarHBondContact CG2-OH 3.17Å; N179-Y193 PolarHBondContact OD1-OH 3.31Å; N179-Y193 VanDerWaalsContact OD1-OH 3.1Å; L185-Y193 HydrophobicContact CB-CD2 3.99Å; L185-Y193 HydrophobicContact CB-CE1 4.47Å; L185-Y193 HydrophobicContact CB-CE2 3.63Å; L185-Y193 HydrophobicContact CD1-CE2 3.96Å; L185-Y193 HydrophobicContact CG-CE2 4.44Å; Q186-Y193 HydrophobicContact CB-CD1 4.42Å; Q186-Y193 HydrophobicContact CB-CE1 4Å; Y189-Y193 VanDerWaalsContact CB-CB 3.5Å; G190-Y193 VanDerWaalsContact O-CD1 3.28Å; G190-Y193 WeakPolarHBondContact O-CD1 3.14Å; Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.42Å; Y193-L197 PolarHBondContact O-N 2.85Å
194V89Confident89.3Confident1 Ų176.5 Ų76.51%0.00639%0.386CS..Hα-helixtrans-71.6-43.3176.8-1720000110.2T171 L174 I178 Y192 L197 V198T171-V194 HydrophobicContact CG2-CB 4.15Å; T171-V194 HydrophobicContact CG2-CG1 3.95Å; L174-V194 HydrophobicContact CB-CG1 4.28Å; L174-V194 HydrophobicContact CD1-CG1 4.37Å; I178-V194 HydrophobicContact CD1-CG2 3.81Å; Y192-V194 VanDerWaalsContact C-N 3.27Å; Y192-V194 PolarHBondContact O-N 3.44Å; V194-L197 PolarHBondContact O-N 2.8Å; V194-V198 HydrophobicContact CG1-CG2 4.45Å; V194-V198 WeakPolarHBondContact O-CB 3.49Å; V194-V198 VanDerWaalsContact O-CG2 3.26Å; V194-V198 WeakPolarHBondContact O-CG2 3.1Å; V194-V198 PolarHBondContact O-N 2.86Å
195S89.8Confident89.8Confident15 Ų1572 Ų7211%0.10536%0.363CS..Hα-helixtrans-64.5-44.2177.645.70000111T171 Y192 L197 V198 E199T171-S195 VanDerWaalsContact CG2-CA 3.47Å; Y192-S195 WeakPolarHBondContact CB-OG 3.25Å; Y192-S195 PolarHBondContact O-N 3.06Å; Y192-S195 VanDerWaalsContact O-N 3.15Å; Y192-S195 PolarHBondContact O-OG 3.32Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 PolarHBondContact O-N 2.88Å; S195-V198 PolarHBondContact O-N 3.28Å; S195-E199 WeakPolarHBondContact O-CB 3.16Å; S195-E199 WeakPolarHBondContact O-CG 3.37Å; S195-E199 PolarHBondContact O-N 2.93Å
196E91.1Very high90.3Very high110 Ų11071.6 Ų71.651%0.51436%0.359SS..Hα-helixtrans-61.2-40.1175.9-70.7179.2-177.900111.9Y192 A200Y192-E196 WeakPolarHBondContact O-CG 3.45Å; Y192-E196 PolarHBondContact O-N 2.85Å; E196-A200 WeakPolarHBondContact O-CB 3.21Å; E196-A200 PolarHBondContact O-N 3.42Å
197L90.5Very high90.7Very high33 Ų3369.3 Ų69.317%0.17335%0.349CS..Hα-helixtrans-65.6-39.5176.8-175.969.9000112.3Y193 V194 S195 L205 F219 L340Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.42Å; Y193-L197 PolarHBondContact O-N 2.85Å; V194-L197 PolarHBondContact O-N 2.8Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 PolarHBondContact O-N 2.88Å; L197-L205 HydrophobicContact CD1-CD1 4.34Å; L197-L205 HydrophobicContact CD1-CD2 3.9Å; L197-F219 HydrophobicContact CD2-CE1 4.15Å; L197-F219 HydrophobicContact CD2-CZ 3.95Å; L197-L340 HydrophobicContact CD2-CD1 3.63Å
198V91.9Very high91Very high6 Ų661 Ų614%0.03631%0.313CS..Hα-helixtrans-73.4-37.5178.3171.90000111.4A166 V168 V194 S195 Q201 C207 F219A166-V198 HydrophobicContact CB-CG1 4.04Å; A166-V198 HydrophobicContact CB-CG2 3.93Å; V168-V198 HydrophobicContact CG2-CG1 4.16Å; V194-V198 HydrophobicContact CG1-CG2 4.45Å; V194-V198 WeakPolarHBondContact O-CB 3.49Å; V194-V198 VanDerWaalsContact O-CG2 3.26Å; V194-V198 WeakPolarHBondContact O-CG2 3.1Å; V194-V198 PolarHBondContact O-N 2.86Å; S195-V198 PolarHBondContact O-N 3.28Å; V198-Q201 WeakPolarHBondContact O-CG 3.09Å; V198-Q201 PolarHBondContact O-N 2.88Å; V198-Q201 PolarHBondContact O-NE2 2.99Å; V198-C207 HydrophobicContact CG2-CB 4.46Å; V198-F219 HydrophobicContact CG2-CE2 3.95Å; V198-F219 HydrophobicContact CG2-CZ 4.35Å
199E92Very high91.3Very high136 Ų13656.9 Ų56.964%0.63629%0.287SS*.Hα-helixtrans-67.8-34.3173.8-75.5-177.6-177.500112.4V168 S195 Q201V168-E199 HydrophobicContact CG2-CG 3.55Å; S195-E199 WeakPolarHBondContact O-CB 3.16Å; S195-E199 WeakPolarHBondContact O-CG 3.37Å; S195-E199 PolarHBondContact O-N 2.93Å; E199-Q201 PolarHBondContact O-N 3.22Å
200A90.3Very high91.6Very high56 Ų5649.7 Ų49.746%0.46326%0.259SS..THydrogen-bonded Turntrans-75.45.2179.900000114.4E196 D202 L205E196-A200 WeakPolarHBondContact O-CB 3.21Å; E196-A200 PolarHBondContact O-N 3.42Å; A200-D202 PolarHBondContact O-N 2.9Å; A200-L205 HydrophobicContact CB-CD2 4.19Å
201Q91.8Very high91.8Very high54 Ų5450 Ų5025%0.25225%0.252SS..  trans-59.3126.9177.8-75.1-1809000111.6A166 V198 E199 L205 C207A166-Q201 PolarHBondContact O-NE2 3.09Å; A166-Q201 VanDerWaalsContact O-NE2 3.15Å; V198-Q201 WeakPolarHBondContact O-CG 3.09Å; V198-Q201 PolarHBondContact O-N 2.88Å; V198-Q201 PolarHBondContact O-NE2 2.99Å; E199-Q201 PolarHBondContact O-N 3.22Å; Q201-L205 CarbonylContact C-O 3.42Å; Q201-L205 VanDerWaalsContact CA-O 3.31Å; Q201-L205 WeakPolarHBondContact CA-O 3.46Å; Q201-C207 HydrophobicContact CG-CB 4.02Å; Q201-C207 PolarHBondContact OE1-O 3.1Å
202D92.5Very high92Very high83 Ų8350.5 Ų50.544%0.44425%0.247SC..  trans-140.2-163.6178.170.1-1.8000109.4A200 N204 L205 K206A200-D202 PolarHBondContact O-N 2.9Å; D202-N204 PolarHBondContact O-N 2.94Å; D202-N204 VanDerWaalsContact OD1-CA 3.28Å; D202-N204 WeakPolarHBondContact OD1-CA 3.36Å; D202-N204 WeakPolarHBondContact OD1-CB 3.18Å; D202-N204 PolarHBondContact OD1-N 3.34Å; D202-L205 PolarHBondContact N-O 3.35Å; D202-L205 PolarHBondContact OD1-N 3.43Å; D202-K206 VanDerWaalsContact O-CD 3.24Å; D202-K206 WeakPolarHBondContact O-CD 3.4Å; D202-K206 WeakPolarHBondContact O-CE 3.12Å; D202-K206 PolarHBondContact O-NZ 2.65Å
203D89.2Confident92Very high116 Ų11648.9 Ų48.962%0.6225%0.249SC*.SBendtrans-67.4-27.7175.1-73.4-23.4000112.2K206 R224D203-K206 IonicContact OD1-NZ 3.48Å; D203-R224 PolarHBondContact O-NH1 3.42Å
204N92.6Very high91.9Very high63 Ų6353.6 Ų53.634%0.33728%0.283SS..SBendtrans-83.3-34.7-179.8175.561.2000113.1D202 T223 R224 S225D202-N204 PolarHBondContact O-N 2.94Å; D202-N204 VanDerWaalsContact OD1-CA 3.28Å; D202-N204 WeakPolarHBondContact OD1-CA 3.36Å; D202-N204 WeakPolarHBondContact OD1-CB 3.18Å; D202-N204 PolarHBondContact OD1-N 3.34Å; N204-T223 PolarHBondContact ND2-OG1 3.42Å; N204-T223 CarbonylContact O-C 3.18Å; N204-T223 WeakPolarHBondContact O-CA 3.39Å; N204-T223 PolarHBondContact O-OG1 3.4Å; N204-R224 PolarHBondContact O-N 3.31Å; N204-R224 WeakPolarHBondContact OD1-CA 3.36Å; N204-R224 VanDerWaalsContact OD1-CB 3.27Å; N204-R224 WeakPolarHBondContact OD1-CB 3.37Å; N204-R224 PolarHBondContact OD1-N 3.39Å; N204-S225 PolarHBondContact OD1-N 3.38Å
205L94.7Very high91.9Very high21 Ų2161 Ų6111%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-119.7122.4-175.4175.667.2000110.2L197 A200 Q201 D202 S221 A222L197-L205 HydrophobicContact CD1-CD1 4.34Å; L197-L205 HydrophobicContact CD1-CD2 3.9Å; A200-L205 HydrophobicContact CB-CD2 4.19Å; Q201-L205 CarbonylContact C-O 3.42Å; Q201-L205 VanDerWaalsContact CA-O 3.31Å; Q201-L205 WeakPolarHBondContact CA-O 3.46Å; D202-L205 PolarHBondContact N-O 3.35Å; D202-L205 PolarHBondContact OD1-N 3.43Å; L205-S221 WeakPolarHBondContact CD1-OG 3.32Å; L205-A222 WeakPolarHBondContact CA-O 3.49Å
206K95.4Very high92Very high33 Ų3360.3 Ų60.314%0.14331%0.306CS..EExtended strand (participates in β ladder)trans-130138.3-179.8-60.6-70.8-170.2-158.60110.2D202 D203 A222 Q361 F362D202-K206 VanDerWaalsContact O-CD 3.24Å; D202-K206 WeakPolarHBondContact O-CD 3.4Å; D202-K206 WeakPolarHBondContact O-CE 3.12Å; D202-K206 PolarHBondContact O-NZ 2.65Å; D203-K206 IonicContact OD1-NZ 3.48Å; K206-A222 PolarHBondContact N-O 3.03Å; K206-A222 PolarHBondContact O-N 3.18Å; K206-Q361 HydrophobicContact CB-CB 4.14Å; K206-Q361 HydrophobicContact CB-CG 4.43Å; K206-Q361 HydrophobicContact CD-CB 4.34Å; K206-Q361 HydrophobicContact CG-CB 3.91Å; K206-F362 HydrophobicContact CB-CE2 3.89Å; K206-F362 HydrophobicContact CB-CZ 3.64Å; K206-F362 HydrophobicContact CG-CE1 3.87Å; K206-F362 HydrophobicContact CG-CE2 4.01Å; K206-F362 HydrophobicContact CG-CZ 3.43Å; K206-F362 VanDerWaalsContact CG-CZ 3.43Å
207C95.1Very high92.1Very high1 Ų155.3 Ų55.31%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-119.6134.2177.7-59.20000110.3A166 V198 Q201 F219 V220A166-C207 HydrophobicContact CB-CB 3.61Å; A166-C207 PolarHBondContact N-O 2.91Å; V198-C207 HydrophobicContact CG2-CB 4.46Å; Q201-C207 HydrophobicContact CG-CB 4.02Å; Q201-C207 PolarHBondContact OE1-O 3.1Å; C207-F219 HydrophobicContact CB-CE2 3.75Å; C207-F219 HydrophobicContact CB-CZ 4.08Å; C207-V220 CarbonylContact C-O 3.58Å; C207-V220 VanDerWaalsContact CA-O 3.31Å; C207-V220 WeakPolarHBondContact CA-O 3.37Å
208V95.1Very high92.2Very high1 Ų153.7 Ų53.71%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-125.3133.6-178.9169.30000109.2F219 V220 M354 L357 L358V208-F219 WeakPolarHBondContact O-CA 3.36Å; V208-V220 PolarHBondContact N-O 2.77Å; V208-V220 PolarHBondContact O-N 3.26Å; V208-M354 HydrophobicContact CG1-CE 4.28Å; V208-M354 WeakPolarHBondContact O-CE 3.42Å; V208-L357 HydrophobicContact CG1-CD2 3.81Å; V208-L357 HydrophobicContact CG1-CG 4.44Å; V208-L357 HydrophobicContact CG2-CD2 4.15Å; V208-L357 HydrophobicContact CG2-CG 4.27Å; V208-L358 HydrophobicContact CB-CD1 4.45Å; V208-L358 HydrophobicContact CG2-CD1 3.98Å
209V95Very high92.3Very high0 Ų053.5 Ų53.50%027%0.273CS..EExtended strand (participates in β ladder)trans-110.9145.1173.7169.80000109.3S163 R164 A166 D170 L174 A216 G218 F219S163-V209 WeakPolarHBondContact CA-O 3.28Å; R164-V209 PolarHBondContact N-O 3.03Å; R164-V209 PolarHBondContact O-N 3.04Å; R164-V209 VanDerWaalsContact O-O 3.13Å; A166-V209 HydrophobicContact CB-CG2 3.63Å; D170-V209 HydrophobicContact CB-CG2 4.35Å; L174-V209 HydrophobicContact CD1-CG2 3.85Å; V209-A216 HydrophobicContact CG1-CB 3.54Å; V209-G218 WeakPolarHBondContact CA-O 3.47Å; V209-F219 HydrophobicContact CG2-CD2 3.81Å
210V94.3Very high92.4Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-107.5131.5160.4-85.80000110.2L161 F162 V217 G218 M343 M354L161-V210 HydrophobicContact CB-CB 3.91Å; L161-V210 HydrophobicContact CB-CG1 3.88Å; L161-V210 HydrophobicContact CD1-CB 4.01Å; L161-V210 HydrophobicContact CD1-CG1 4.43Å; L161-V210 HydrophobicContact CD1-CG2 3.94Å; F162-V210 WeakPolarHBondContact O-CA 3.38Å; V210-V217 HydrophobicContact CG2-CG2 4.35Å; V210-V217 WeakPolarHBondContact O-CG2 3.49Å; V210-V217 PolarHBondContact O-N 2.89Å; V210-G218 PolarHBondContact N-O 2.81Å; V210-G218 PolarHBondContact O-N 3.44Å; V210-M343 HydrophobicContact CG2-SD 4.09Å; V210-M354 HydrophobicContact CB-CG 4.21Å; V210-M354 HydrophobicContact CG1-CB 4.46Å; V210-M354 HydrophobicContact CG1-CE 4.42Å; V210-M354 HydrophobicContact CG1-CG 3.4Å; V210-M354 VanDerWaalsContact CG1-CG 3.4Å; V210-M354 HydrophobicContact CG1-SD 4.32Å; V210-M354 HydrophobicContact CG2-CE 3.88Å; V210-M354 HydrophobicContact CG2-CG 3.83Å; V210-M354 HydrophobicContact CG2-SD 3.62Å
211E93.5Very high92.6Very high40 Ų4044.4 Ų44.419%0.18722%0.221CC..EExtended strand (participates in β ladder)trans-112.5148178.868.2-177.7-158.600112.4F162 R164 R215F162-E211 HydrophobicContact CB-CG 3.92Å; F162-E211 HydrophobicContact CD1-CG 3.86Å; F162-E211 VanDerWaalsContact CD1-OE1 3.23Å; F162-E211 WeakPolarHBondContact CD1-OE1 3Å; F162-E211 HydrophobicContact CG-CG 4.4Å; F162-E211 PolarHBondContact N-O 2.8Å; F162-E211 PolarHBondContact O-N 3.34Å; R164-E211 IonicContact CZ-OE2 3.71Å; R164-E211 VanDerWaalsContact CZ-OE2 3.32Å; R164-E211 IonicContact NE-OE2 3.33Å; R164-E211 PolarHBondContact NE-OE2 3.15Å; R164-E211 IonicContact NH2-OE2 2.53Å; R164-E211 PolarHBondContact NH2-OE2 3.26Å; E211-R215 WeakPolarHBondContact CA-O 3.41Å; E211-R215 WeakPolarHBondContact CB-O 3.29Å
212Y90.9Very high92.8Very high112 Ų11241.8 Ų41.844%0.43921%0.209SC..EExtended strand (participates in β ladder)trans-134.9129.1167.6177.9-106.1000108P159 C214 R215 F347P159-Y212 HydrophobicContact CB-CD2 4.08Å; P159-Y212 HydrophobicContact CB-CE2 3.66Å; P159-Y212 HydrophobicContact CG-CD2 3.66Å; P159-Y212 HydrophobicContact CG-CE2 3.23Å; Y212-C214 VanDerWaalsContact C-N 3.31Å; Y212-C214 PolarHBondContact O-N 2.8Å; Y212-R215 PolarHBondContact N-O 2.84Å; Y212-R215 PolarHBondContact O-N 3.5Å; Y212-R215 VanDerWaalsContact O-N 3.09Å; Y212-F347 HydrophobicContact CD1-CE1 4.14Å; Y212-F347 AromaticContact CD1-CZ 3.6Å; Y212-F347 HydrophobicContact CD1-CZ 3.6Å; Y212-F347 HydrophobicContact CD2-CE1 4.39Å; Y212-F347 HydrophobicContact CE1-CZ 4.15Å; Y212-F347 AromaticContact CG-CE1 3.99Å; Y212-F347 HydrophobicContact CG-CE1 3.99Å; Y212-F347 AromaticContact CG-CZ 3.87Å; Y212-F347 HydrophobicContact CG-CZ 3.87Å
213D88.8Confident92.9Very high132 Ų13238 Ų3871%0.70619%0.189SC*.THydrogen-bonded Turntrans51.447.4-176.5-163.932.7000113.2R215D213-R215 PolarHBondContact O-N 2.89Å; D213-R215 VanDerWaalsContact O-N 3.1Å
214C85.4Confident93.1Very high112 Ų11235.4 Ų35.476%0.75717%0.17SC*.THydrogen-bonded Turntrans58.519.5-178.2-56.10000115.1Y212Y212-C214 VanDerWaalsContact C-N 3.31Å; Y212-C214 PolarHBondContact O-N 2.8Å
215R90.2Very high92.9Very high157 Ų15736.4 Ų36.459%0.59218%0.183SC*.EExtended strand (participates in β ladder)trans-118.1139.6174.9-66-175-176.1-173.4-0.2111.1D173 E211 Y212 D213 V217D173-R215 WeakPolarHBondContact OD2-CA 3.41Å; E211-R215 WeakPolarHBondContact CA-O 3.41Å; E211-R215 WeakPolarHBondContact CB-O 3.29Å; Y212-R215 PolarHBondContact N-O 2.84Å; Y212-R215 PolarHBondContact O-N 3.5Å; Y212-R215 VanDerWaalsContact O-N 3.09Å; D213-R215 PolarHBondContact O-N 2.89Å; D213-R215 VanDerWaalsContact O-N 3.1Å; R215-V217 PolarHBondContact O-N 3.04Å
216A91.4Very high92.6Very high1 Ų137.2 Ų37.21%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-69.6120.917500000110D170 D173 L174 V209D170-A216 HydrophobicContact CB-CB 4.24Å; D173-A216 HydrophobicContact CB-CB 3.82Å; D173-A216 PolarHBondContact OD2-N 3.48Å; L174-A216 HydrophobicContact CD2-CB 3.75Å; L174-A216 HydrophobicContact CG-CB 3.97Å; V209-A216 HydrophobicContact CG1-CB 3.54Å
217V92.5Very high92.2Very high4 Ų440.4 Ų40.42%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-114.8-9.5-179.7-62.80000113.2L161 V210 R215 K344 F347L161-V217 HydrophobicContact CD1-CG2 4.21Å; L161-V217 HydrophobicContact CD2-CG2 4.03Å; V210-V217 HydrophobicContact CG2-CG2 4.35Å; V210-V217 WeakPolarHBondContact O-CG2 3.49Å; V210-V217 PolarHBondContact O-N 2.89Å; R215-V217 PolarHBondContact O-N 3.04Å; V217-K344 HydrophobicContact CB-CD 4.19Å; V217-K344 HydrophobicContact CG1-CD 4.1Å; V217-K344 PolarHBondContact O-N 3.07Å; V217-F347 HydrophobicContact CB-CD2 4.08Å; V217-F347 HydrophobicContact CB-CE2 4.32Å; V217-F347 HydrophobicContact CG1-CD2 4.33Å; V217-F347 HydrophobicContact CG1-CE2 4.06Å; V217-F347 HydrophobicContact CG2-CD2 4.32Å; V217-F347 HydrophobicContact CG2-CG 4.38Å
218G92.5Very high91.8Very high0 Ų041.4 Ų41.40%021%0.211CC..EExtended strand (participates in β ladder)trans-159154174.300000112V209 V210 I342V209-G218 WeakPolarHBondContact CA-O 3.47Å; V210-G218 PolarHBondContact N-O 2.81Å; V210-G218 PolarHBondContact O-N 3.44Å; G218-I342 CarbonylContact C-O 3.34Å; G218-I342 VanDerWaalsContact CA-O 3.22Å; G218-I342 WeakPolarHBondContact CA-O 3.34Å
219F94Very high91.4Very high1 Ų149.6 Ų49.60%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-145.6136.6-174.5171.5-97.1000111A166 L174 I178 L197 V198 C207 V208 V209 L340 I342A166-F219 HydrophobicContact CB-CD2 4.41Å; A166-F219 HydrophobicContact CB-CE2 4.06Å; L174-F219 HydrophobicContact CD1-CB 3.91Å; L174-F219 HydrophobicContact CD1-CD2 3.49Å; L174-F219 VanDerWaalsContact CD1-CD2 3.49Å; L174-F219 HydrophobicContact CD1-CE2 4.17Å; L174-F219 HydrophobicContact CD1-CG 3.87Å; L174-F219 HydrophobicContact CD2-CB 3.56Å; L174-F219 HydrophobicContact CD2-CG 4.41Å; L174-F219 HydrophobicContact CG-CB 4.31Å; I178-F219 HydrophobicContact CD1-CD1 4.41Å; L197-F219 HydrophobicContact CD2-CE1 4.15Å; L197-F219 HydrophobicContact CD2-CZ 3.95Å; V198-F219 HydrophobicContact CG2-CE2 3.95Å; V198-F219 HydrophobicContact CG2-CZ 4.35Å; C207-F219 HydrophobicContact CB-CE2 3.75Å; C207-F219 HydrophobicContact CB-CZ 4.08Å; V208-F219 WeakPolarHBondContact O-CA 3.36Å; V209-F219 HydrophobicContact CG2-CD2 3.81Å; F219-L340 HydrophobicContact CE1-CB 4.4Å; F219-I342 HydrophobicContact CB-CG2 3.83Å; F219-I342 HydrophobicContact CD1-CG2 4.42Å; F219-I342 PolarHBondContact N-O 3.27Å; F219-I342 PolarHBondContact O-N 3.06Å
220V94.6Very high91.1Very high1 Ų153.2 Ų53.21%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-129.7131.5173.81720000108.9C207 V208 I338 L340 F341 M354 L358C207-V220 CarbonylContact C-O 3.58Å; C207-V220 VanDerWaalsContact CA-O 3.31Å; C207-V220 WeakPolarHBondContact CA-O 3.37Å; V208-V220 PolarHBondContact N-O 2.77Å; V208-V220 PolarHBondContact O-N 3.26Å; V220-I338 HydrophobicContact CG1-CG2 4.09Å; V220-L340 CarbonylContact C-O 3.59Å; V220-L340 WeakPolarHBondContact CA-O 3.49Å; V220-F341 HydrophobicContact CG2-CD2 3.66Å; V220-F341 HydrophobicContact CG2-CE2 4.34Å; V220-M354 HydrophobicContact CB-CE 3.92Å; V220-M354 HydrophobicContact CG2-CE 3.41Å; V220-M354 VanDerWaalsContact CG2-CE 3.41Å; V220-M354 HydrophobicContact CG2-SD 3.81Å; V220-L358 HydrophobicContact CG1-CD1 3.83Å; V220-L358 HydrophobicContact CG1-CD2 3.71Å; V220-L358 HydrophobicContact CG1-CG 4.42Å
221S94.4Very high90.9Very high0 Ų054.1 Ų54.10%027%0.265CS..EExtended strand (participates in β ladder)trans-112.1130.9165.5-1770000110L205 Q339 L340L205-S221 WeakPolarHBondContact CD1-OG 3.32Å; S221-Q339 PolarHBondContact O-N 3.01Å; S221-L340 PolarHBondContact N-O 3.08Å; S221-L340 PolarHBondContact O-N 3.19Å
222A96.4Very high90.7Very high0 Ų052.5 Ų52.50%026%0.258CS..EExtended strand (participates in β ladder)trans-133.6145.4-179.200000112.6L205 K206 F336 A337 L358 F362L205-A222 WeakPolarHBondContact CA-O 3.49Å; K206-A222 PolarHBondContact N-O 3.03Å; K206-A222 PolarHBondContact O-N 3.18Å; A222-F336 HydrophobicContact CB-CD2 3.84Å; A222-F336 HydrophobicContact CB-CE2 4.2Å; A222-A337 CarbonylContact C-O 3.55Å; A222-A337 WeakPolarHBondContact CA-O 3.39Å; A222-L358 HydrophobicContact CB-CD1 3.77Å; A222-L358 HydrophobicContact CB-CD2 4.49Å; A222-L358 HydrophobicContact CB-CG 4.4Å; A222-F362 HydrophobicContact CB-CE2 3.82Å; A222-F362 HydrophobicContact CB-CZ 4.35Å
223T95.1Very high90.6Very high4 Ų449.5 Ų49.53%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-131.5150-177.8-170.70000113.4N204 S225 F336 A337 Q339N204-T223 PolarHBondContact ND2-OG1 3.42Å; N204-T223 CarbonylContact O-C 3.18Å; N204-T223 WeakPolarHBondContact O-CA 3.39Å; N204-T223 PolarHBondContact O-OG1 3.4Å; T223-S225 VanDerWaalsContact C-N 3.29Å; T223-S225 WeakPolarHBondContact OG1-CB 3.23Å; T223-S225 PolarHBondContact OG1-N 2.89Å; T223-S225 VanDerWaalsContact OG1-N 3.1Å; T223-F336 CarbonylContact O-C 3.55Å; T223-F336 WeakPolarHBondContact O-CA 3.43Å; T223-F336 WeakPolarHBondContact O-CB 3.28Å; T223-A337 HydrophobicContact CG2-CB 4.03Å; T223-A337 PolarHBondContact N-O 2.79Å; T223-A337 PolarHBondContact O-N 3.2Å; T223-Q339 HydrophobicContact CG2-CG 3.68Å
224R92.9Very high90.6Very high60 Ų6045.6 Ų45.623%0.22623%0.231CC..SBendtrans-79.5-10.7166.1-53.7179.7156127.1-4.8112.7D203 N204 L226 L333 F362 D364 L365D203-R224 PolarHBondContact O-NH1 3.42Å; N204-R224 PolarHBondContact O-N 3.31Å; N204-R224 WeakPolarHBondContact OD1-CA 3.36Å; N204-R224 VanDerWaalsContact OD1-CB 3.27Å; N204-R224 WeakPolarHBondContact OD1-CB 3.37Å; N204-R224 PolarHBondContact OD1-N 3.39Å; R224-L226 PolarHBondContact O-N 2.73Å; R224-L333 HydrophobicContact CB-CD2 4.17Å; R224-L333 WeakPolarHBondContact O-CD2 3.49Å; R224-F362 HydrophobicContact CG-CD1 3.78Å; R224-F362 HydrophobicContact CG-CE1 3.62Å; R224-D364 IonicContact CZ-OD1 3.92Å; R224-D364 IonicContact NE-OD1 2.69Å; R224-D364 IonicContact NH2-OD1 2.87Å; R224-D364 PolarHBondContact NH2-OD1 3.04Å; R224-D364 IonicContact NH2-OD2 3.56Å; R224-L365 HydrophobicContact CG-CD1 3.97Å
225S87.8Confident91Very high85 Ų8540.9 Ų40.959%0.59420%0.197SC*.  trans-70.988.5-178.8179.20000111.9N204 T223N204-S225 PolarHBondContact OD1-N 3.38Å; T223-S225 VanDerWaalsContact C-N 3.29Å; T223-S225 WeakPolarHBondContact OG1-CB 3.23Å; T223-S225 PolarHBondContact OG1-N 2.89Å; T223-S225 VanDerWaalsContact OG1-N 3.1Å
226L88.2Confident90.8Very high37 Ų3736.6 Ų36.619%0.19419%0.186CC..  trans-125130.4-179.4-80.5169.5000111.6R224 L228 L231 L333 A335 A337 V369R224-L226 PolarHBondContact O-N 2.73Å; L226-L228 PolarHBondContact O-N 2.93Å; L226-L231 HydrophobicContact CD2-CD1 4.06Å; L226-L333 HydrophobicContact CB-CD1 4.03Å; L226-L333 HydrophobicContact CD1-CD1 4.06Å; L226-A335 HydrophobicContact CD1-CB 3.81Å; L226-A335 VanDerWaalsContact CD1-O 3.26Å; L226-A335 WeakPolarHBondContact CD1-O 3.48Å; L226-A337 HydrophobicContact CD1-CB 4.36Å; L226-A337 HydrophobicContact CD2-CB 3.4Å; L226-A337 HydrophobicContact CG-CB 3.88Å; L226-V369 HydrophobicContact CD1-CG2 4Å; L226-V369 HydrophobicContact CD2-CG2 3.7Å
227N88.5Confident90.7Very high101 Ų10136.5 Ų36.554%0.5419%0.186SC..  trans-87.485171.3-170.1-23.5000110.3R229 N230 L231N227-R229 VanDerWaalsContact C-N 3.28Å; N227-R229 PolarHBondContact O-N 3.2Å; N227-R229 PolarHBondContact OD1-N 3.12Å; N227-N230 HydrophobicContact CB-CB 3.93Å; N227-N230 VanDerWaalsContact CG-CB 3.44Å; N227-N230 PolarHBondContact O-N 2.77Å; N227-N230 WeakPolarHBondContact OD1-CB 3.31Å; N227-N230 PolarHBondContact OD1-N 3.14Å; N227-L231 PolarHBondContact O-N 2.9Å
228L86.9Confident90.3Very high22 Ų2239.1 Ų39.112%0.11520%0.199CC..Hα-helixtrans-56.9-39.1179.7-71.6178.1000113.2L226 N230 L231 N232 L243 L327 L333L226-L228 PolarHBondContact O-N 2.93Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.87Å; L228-L231 PolarHBondContact O-N 3.02Å; L228-N232 WeakPolarHBondContact O-CB 3.37Å; L228-N232 PolarHBondContact O-N 3.41Å; L228-N232 PolarHBondContact O-ND2 2.58Å; L228-L243 HydrophobicContact CD2-CB 3.88Å; L228-L327 HydrophobicContact CB-CD2 4.39Å; L228-L333 HydrophobicContact CD1-CB 4.35Å; L228-L333 HydrophobicContact CD1-CD1 3.71Å; L228-L333 HydrophobicContact CD2-CD1 3.75Å; L228-L333 HydrophobicContact CG-CD1 3.72Å
229R86.3Confident89.7Confident172 Ų17243.3 Ų43.365%0.64922%0.221SC*.Hα-helixtrans-61.2-44.2178.6-70.6-179.6177.4161.9-4.8110.8N227 S233 D329N227-R229 VanDerWaalsContact C-N 3.28Å; N227-R229 PolarHBondContact O-N 3.2Å; N227-R229 PolarHBondContact OD1-N 3.12Å; R229-S233 WeakPolarHBondContact O-CB 3.4Å; R229-S233 PolarHBondContact O-N 3.2Å; R229-S233 PolarHBondContact O-OG 3.19Å; R229-D329 IonicContact NH2-OD1 3.76Å; R229-D329 PolarHBondContact NH2-OD1 3.28Å
230N87.8Confident89.3Confident76 Ų7643.6 Ų43.641%0.40622%0.223SC..Hα-helixtrans-66.4-43.8178.3-169.822.6000112.4N227 L228 S233 H234N227-N230 HydrophobicContact CB-CB 3.93Å; N227-N230 VanDerWaalsContact CG-CB 3.44Å; N227-N230 PolarHBondContact O-N 2.77Å; N227-N230 WeakPolarHBondContact OD1-CB 3.31Å; N227-N230 PolarHBondContact OD1-N 3.14Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.87Å; N230-S233 WeakPolarHBondContact CA-OG 3.46Å; N230-S233 PolarHBondContact O-N 2.94Å; N230-S233 PolarHBondContact O-OG 3.36Å; N230-H234 PolarHBondContact O-N 3.25Å; N230-H234 PolarHBondContact O-ND1 2.97Å; N230-H234 PolarHBondContact OD1-CE1 3.14Å; N230-H234 PolarHBondContact OD1-ND1 3.09Å
231L90.8Very high88.9Confident19 Ų1947.2 Ų47.210%0.09924%0.242CC..Hα-helixtrans-62.6-48.5177.5-69.6177.5000111.2L226 N227 L228 S233 H234 Y235 L237 L243 L400L226-L231 HydrophobicContact CD2-CD1 4.06Å; N227-L231 PolarHBondContact O-N 2.9Å; L228-L231 PolarHBondContact O-N 3.02Å; L231-S233 PolarHBondContact O-N 2.78Å; L231-H234 PolarHBondContact O-N 3.24Å; L231-H234 VanDerWaalsContact O-N 3.12Å; L231-Y235 HydrophobicContact CD2-CD2 4.16Å; L231-Y235 HydrophobicContact CD2-CE2 4.02Å; L231-Y235 WeakPolarHBondContact O-CD2 3.41Å; L231-Y235 PolarHBondContact O-N 3.27Å; L231-L237 HydrophobicContact CB-CD1 3.91Å; L231-L243 HydrophobicContact CD1-CD1 4.36Å; L231-L400 HydrophobicContact CD2-CD1 4.32Å; L231-L400 HydrophobicContact CD2-CD2 4.25Å
232N89.7Confident88.5Confident7 Ų747.2 Ų47.24%0.03724%0.242CC..Hα-helixtrans-66.8-24.3178.4-78.5-80.7000113.4L228 G242 L327 K391L228-N232 WeakPolarHBondContact O-CB 3.37Å; L228-N232 PolarHBondContact O-N 3.41Å; L228-N232 PolarHBondContact O-ND2 2.58Å; N232-G242 PolarHBondContact ND2-O 3.18Å; N232-G242 WeakPolarHBondContact OD1-CA 3.13Å; N232-L327 HydrophobicContact CB-CD1 3.69Å; N232-K391 PolarHBondContact O-NZ 3.31Å
233S88.5Confident88.2Confident48 Ų4847.2 Ų47.234%0.33624%0.242SC..Hα-helixtrans-76.9-22.8173.966.50000113.5R229 N230 L231 K394R229-S233 WeakPolarHBondContact O-CB 3.4Å; R229-S233 PolarHBondContact O-N 3.2Å; R229-S233 PolarHBondContact O-OG 3.19Å; N230-S233 WeakPolarHBondContact CA-OG 3.46Å; N230-S233 PolarHBondContact O-N 2.94Å; N230-S233 PolarHBondContact O-OG 3.36Å; L231-S233 PolarHBondContact O-N 2.78Å; S233-K394 WeakPolarHBondContact O-CD 3.27Å; S233-K394 WeakPolarHBondContact O-CE 3.33Å; S233-K394 WeakPolarHBondContact O-CG 3.49Å
234H89.6Confident88Confident51 Ų5147.5 Ų47.524%0.23625%0.245CC..Hα-helixtrans-106.7-34.1-174.7-71.293.5000114.3N230 L231 K391 P396N230-H234 PolarHBondContact O-N 3.25Å; N230-H234 PolarHBondContact O-ND1 2.97Å; N230-H234 PolarHBondContact OD1-CE1 3.14Å; N230-H234 PolarHBondContact OD1-ND1 3.09Å; L231-H234 PolarHBondContact O-N 3.24Å; L231-H234 VanDerWaalsContact O-N 3.12Å; H234-K391 PolarHBondContact O-N 2.69Å; H234-P396 HydrophobicContact CB-CB 4.47Å
235Y91.9Very high87.6Confident12 Ų1248.1 Ų48.15%0.04725%0.249CC..BIsolated β-bridgetrans-117.9151.6-174.8-55.3-84.4000111.7L231 L237 R389 I390 K391 P396 H398 L400L231-Y235 HydrophobicContact CD2-CD2 4.16Å; L231-Y235 HydrophobicContact CD2-CE2 4.02Å; L231-Y235 WeakPolarHBondContact O-CD2 3.41Å; L231-Y235 PolarHBondContact O-N 3.27Å; Y235-L237 PolarHBondContact O-N 2.93Å; Y235-R389 WeakPolarHBondContact CA-O 3.19Å; Y235-I390 HydrophobicContact CD1-CG1 4.18Å; Y235-I390 HydrophobicContact CE1-CG1 4.1Å; Y235-K391 WeakPolarHBondContact O-CD 3.49Å; Y235-K391 WeakPolarHBondContact O-CE 3.46Å; Y235-P396 HydrophobicContact CE1-CB 4.15Å; Y235-P396 HydrophobicContact CE1-CG 3.88Å; Y235-P396 HydrophobicContact CE2-CB 4.39Å; Y235-P396 VanDerWaalsContact OH-CB 3.32Å; Y235-P396 WeakPolarHBondContact OH-CB 3.47Å; Y235-H398 PolarHBondContact OH-O 3.42Å; Y235-L400 HydrophobicContact CD1-CB 3.73Å; Y235-L400 HydrophobicContact CD1-CD2 4.28Å; Y235-L400 HydrophobicContact CD2-CB 4.1Å; Y235-L400 HydrophobicContact CD2-CD2 3.6Å; Y235-L400 HydrophobicContact CD2-CG 4.47Å; Y235-L400 HydrophobicContact CE1-CB 3.61Å; Y235-L400 HydrophobicContact CE2-CB 3.98Å; Y235-L400 HydrophobicContact CE2-CD2 4.14Å; Y235-L400 HydrophobicContact CG-CB 3.97Å; Y235-L400 HydrophobicContact CG-CD2 3.67Å; Y235-L400 HydrophobicContact CG-CG 4.49Å
236D87.7Confident86.8Confident67 Ų6750.3 Ų50.336%0.35825%0.253SS..  trans-76.7103.5170.1-175.33.5000109.1D238 R389 K391D236-D238 PolarHBondContact OD1-N 3.16Å; D236-R389 HydrophobicContact CB-CB 4.41Å; D236-R389 PolarHBondContact N-O 3.49Å; D236-K391 HydrophobicContact CB-CG 4.42Å
237L89.2Confident85.2Confident0 Ų053.4 Ų53.40%027%0.27CS..  trans-118.412-178.6-65176000111.5L231 Y235 L239 F240 N241 G242 L243 C388 L400 V402L231-L237 HydrophobicContact CB-CD1 3.91Å; Y235-L237 PolarHBondContact O-N 2.93Å; L237-L239 PolarHBondContact O-N 3.28Å; L237-F240 HydrophobicContact CD2-CD2 3.96Å; L237-F240 CarbonylContact O-C 3.57Å; L237-F240 WeakPolarHBondContact O-CA 3.36Å; L237-F240 PolarHBondContact O-N 2.72Å; L237-N241 PolarHBondContact O-N 3.26Å; L237-G242 PolarHBondContact O-N 2.97Å; L237-L243 HydrophobicContact CD1-CD1 3.91Å; L237-L243 HydrophobicContact CD1-CG 4.23Å; L237-L243 HydrophobicContact CD2-CD1 4.3Å; L237-L243 HydrophobicContact CD2-CG 4.41Å; L237-C388 HydrophobicContact CD2-CB 4.37Å; L237-L400 HydrophobicContact CD1-CD2 4.3Å; L237-L400 HydrophobicContact CD2-CD2 3.81Å; L237-L400 HydrophobicContact CG-CD2 4.45Å; L237-V402 HydrophobicContact CD2-CG2 4.4Å
238D82.8Confident83.1Confident58 Ų5857.5 Ų57.531%0.3128%0.283SS..G310 helixtrans-63.7-34.9-176.6-66.7-10.3000110.1D236 F240 N241 I325D236-D238 PolarHBondContact OD1-N 3.16Å; D238-F240 PolarHBondContact O-N 2.98Å; D238-F240 VanDerWaalsContact O-N 3.12Å; D238-N241 PolarHBondContact O-N 2.82Å; D238-N241 VanDerWaalsContact O-N 3.08Å; D238-I325 HydrophobicContact CB-CD1 4.12Å
239L79.6Confident80.8Confident89 Ų8962.2 Ų62.247%0.46632%0.315SS..G310 helixtrans-56.3-26.5171.7-173.165.9000113.6L237 A515L237-L239 PolarHBondContact O-N 3.28Å; L239-A515 HydrophobicContact CD1-CB 3.76Å; L239-A515 HydrophobicContact CD2-CB 4.32Å; L239-A515 HydrophobicContact CG-CB 3.63Å; L239-A515 WeakPolarHBondContact O-CB 3.4Å
240F86.8Confident78Confident7 Ų763 Ų633%0.03133%0.328CS..G310 helixtrans-111.320.1-178.4-49.6-68000112.6L237 D238 G242 L243 Y367 V386 V402 A515L237-F240 HydrophobicContact CD2-CD2 3.96Å; L237-F240 CarbonylContact O-C 3.57Å; L237-F240 WeakPolarHBondContact O-CA 3.36Å; L237-F240 PolarHBondContact O-N 2.72Å; D238-F240 PolarHBondContact O-N 2.98Å; D238-F240 VanDerWaalsContact O-N 3.12Å; F240-G242 PolarHBondContact O-N 3.47Å; F240-G242 VanDerWaalsContact O-N 3.16Å; F240-L243 HydrophobicContact CB-CD2 3.88Å; F240-L243 HydrophobicContact CG-CD2 4.43Å; F240-L243 PolarHBondContact O-N 2.93Å; F240-Y367 HydrophobicContact CB-CE1 4.17Å; F240-Y367 AromaticContact CD1-CE1 3.66Å; F240-Y367 HydrophobicContact CD1-CE1 3.66Å; F240-Y367 HydrophobicContact CE1-CE1 4.46Å; F240-Y367 HydrophobicContact CG-CE1 4.23Å; F240-V386 HydrophobicContact CZ-CB 4.07Å; F240-V386 HydrophobicContact CZ-CG1 3.92Å; F240-V402 HydrophobicContact CD1-CG1 4.26Å; F240-V402 HydrophobicContact CD2-CG1 4.44Å; F240-V402 HydrophobicContact CD2-CG2 4.45Å; F240-V402 HydrophobicContact CE1-CG1 4.17Å; F240-V402 HydrophobicContact CE2-CB 4.23Å; F240-V402 HydrophobicContact CE2-CG1 4.36Å; F240-V402 HydrophobicContact CE2-CG2 4.29Å; F240-V402 HydrophobicContact CG-CG1 4.37Å; F240-V402 HydrophobicContact CZ-CB 4.22Å; F240-V402 HydrophobicContact CZ-CG1 4.22Å; F240-A515 HydrophobicContact CD1-CB 4.32Å; F240-A515 HydrophobicContact CE1-CB 4.36Å
241N86.1Confident75.2Confident76 Ų7668.6 Ų68.641%0.40635%0.349SS..G310 helixtrans51.836-175.4-55.7-55.9000112.7L237 D238 L243 A244L237-N241 PolarHBondContact O-N 3.26Å; D238-N241 PolarHBondContact O-N 2.82Å; D238-N241 VanDerWaalsContact O-N 3.08Å; N241-L243 PolarHBondContact O-N 3.42Å; N241-A244 PolarHBondContact O-N 3.2Å
242G86.6Confident72.1Confident0 Ų076.9 Ų76.90%039%0.387CS..G310 helixtrans65.121.4-177.300000115.5N232 L237 F240 A244N232-G242 PolarHBondContact ND2-O 3.18Å; N232-G242 WeakPolarHBondContact OD1-CA 3.13Å; L237-G242 PolarHBondContact O-N 2.97Å; F240-G242 PolarHBondContact O-N 3.47Å; F240-G242 VanDerWaalsContact O-N 3.16Å; G242-A244 PolarHBondContact O-N 3.47Å
243L90.1Very high69.2Low0 Ų084.6 Ų84.60%042%0.423CS..G310 helixtrans60.725.6-174.5-55170.9000113.4L228 L231 L237 F240 N241 N334 A335 Y367 V369 V402L228-L243 HydrophobicContact CD2-CB 3.88Å; L231-L243 HydrophobicContact CD1-CD1 4.36Å; L237-L243 HydrophobicContact CD1-CD1 3.91Å; L237-L243 HydrophobicContact CD1-CG 4.23Å; L237-L243 HydrophobicContact CD2-CD1 4.3Å; L237-L243 HydrophobicContact CD2-CG 4.41Å; F240-L243 HydrophobicContact CB-CD2 3.88Å; F240-L243 HydrophobicContact CG-CD2 4.43Å; F240-L243 PolarHBondContact O-N 2.93Å; N241-L243 PolarHBondContact O-N 3.42Å; L243-N334 WeakPolarHBondContact O-CB 3.43Å; L243-N334 PolarHBondContact O-N 3.07Å; L243-A335 HydrophobicContact CB-CB 4.15Å; L243-A335 HydrophobicContact CD1-CB 4.42Å; L243-A335 HydrophobicContact CD2-CB 4.47Å; L243-Y367 HydrophobicContact CD2-CD1 4.06Å; L243-Y367 HydrophobicContact CD2-CD2 4.27Å; L243-Y367 HydrophobicContact CD2-CG 3.89Å; L243-V369 HydrophobicContact CD1-CG1 3.78Å; L243-V369 HydrophobicContact CD2-CG1 4.36Å; L243-V402 HydrophobicContact CD2-CG1 4.09Å; L243-V402 HydrophobicContact CD2-CG2 4.38Å
244A89.4Confident66.2Low10 Ų1088.9 Ų88.98%0.08345%0.448CS..EExtended strand (participates in β ladder)trans-110.5152.6177.200000111.7N241 G242 L327 A331 K332N241-A244 PolarHBondContact O-N 3.2Å; G242-A244 PolarHBondContact O-N 3.47Å; A244-L327 HydrophobicContact CB-CD2 4.15Å; A244-A331 HydrophobicContact CB-CB 3.87Å; A244-K332 CarbonylContact C-O 3.5Å; A244-K332 WeakPolarHBondContact CA-O 3.42Å
245K85.4Confident63.2Low73 Ų7390.1 Ų90.132%0.31747%0.474SS..EExtended strand (participates in β ladder)trans-77132.9169.8-62.1-171.5176.8-179.50109.8D247 K332 N334 D364K245-D247 PolarHBondContact O-N 2.84Å; K245-K332 HydrophobicContact CB-CB 4.26Å; K245-K332 PolarHBondContact N-O 2.85Å; K245-N334 WeakPolarHBondContact CE-OD1 3.41Å; K245-N334 HydrophobicContact CG-CB 3.69Å; K245-D364 WeakPolarHBondContact CE-O 3.41Å; K245-D364 PolarHBondContact NZ-O 3Å
246L70.3Confident60.1Low131 Ų13198.4 Ų98.469%0.68651%0.513SS*.  trans-76.3114168.6-67.7165.6000108.8K248L246-K248 PolarHBondContact O-N 2.78Å
247D55.3Low57Low102 Ų102104.2 Ų104.255%0.54554%0.535SS..  trans-73.393175.4-96.4-16.7000109.9K245 K332K245-D247 PolarHBondContact O-N 2.84Å; D247-K332 IonicContact OD1-NZ 3.4Å; D247-K332 PolarHBondContact OD1-NZ 2.75Å; D247-K332 IonicContact OD2-NZ 3.62Å; D247-K332 PolarHBondContact OD2-NZ 2.99Å
248K44.4Very low54Low187 Ų187111.6 Ų111.681%0.81357%0.574SS**SBendtrans57.5141.7179-68.2-178.6178.8-179.90114.1L246 M250L246-K248 PolarHBondContact O-N 2.78Å; K248-M250 PolarHBondContact O-N 3.42Å
249P37.9Very low51.1Low122 Ų122117.1 Ų117.179%0.79260%0.598SS**  trans-56.6137.5-179.823.6-31.9000109.5K251P249-K251 PolarHBondContact O-N 2.86Å; P249-K251 VanDerWaalsContact O-N 3.12Å
250M28.6Very low48.5Very low187 Ų187122.7 Ų122.792%0.92162%0.619SS**  trans-43124175.8-63.5-160.887.300108.4K248 E252K248-M250 PolarHBondContact O-N 3.42Å; M250-E252 PolarHBondContact O-N 3.32Å
251K27.9Very low45.6Very low194 Ų194127.6 Ų127.684%0.84365%0.652SS**  trans-52.5120.1177.4-70.3178.6178.1177.60107.2P249 E253P249-K251 PolarHBondContact O-N 2.86Å; P249-K251 VanDerWaalsContact O-N 3.12Å; K251-E253 PolarHBondContact O-N 2.9Å
252E26.7Very low42.6Very low194 Ų194130.2 Ų130.291%0.90767%0.671SS**  trans-46.4108.5170.1-69169.8163.900108.3M250 T254M250-E252 PolarHBondContact O-N 3.32Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.41Å
253E29.5Very low39.5Very low169 Ų169135.9 Ų135.979%0.7971%0.705SS**  trans-66.396.6165.4-74.5-176.3161.700107.1K251K251-E253 PolarHBondContact O-N 2.9Å
254T24.8Very low36.2Very low138 Ų138141.9 Ų141.985%0.84774%0.742SS**SBendtrans43.7105.1150.153.90000118.5E252E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.41Å
255G25.7Very low33Very low76 Ų76148 Ų14878%0.78478%0.779SS**  trans100.8121.7160.900000111.9
256E26.9Very low29.9Very low187 Ų187148 Ų14887%0.87480%0.799SS**  cis-146.4152.728.9-72.8177.613800110.3N258E256-N258 PolarHBondContact O-N 3.44Å
257K23.3Very low27.5Very low189 Ų189147 Ų14782%0.82280%0.802SS**  trans-62.5118.2173.1-64.1171.8176.31800109.9
258N25.8Very low25.8Very low154 Ų154147.7 Ų147.782%0.82481%0.811SS**  trans-126.8105.4152.3-85.7-29.5000109E256E256-N258 PolarHBondContact O-N 3.44Å
259E22.8Very low24.7Very low175 Ų175145.9 Ų145.982%0.81881%0.809SS**  trans-66.4130.3174.9-65.3172.7159.800110.2
260F23.3Very low23.9Very low206 Ų206150 Ų15090%0.90482%0.815SS**  trans-128.6124148.3-88.9-78.5000109.3
261P26.3Very low23.4Very low109 Ų109147 Ų14771%0.70881%0.807SS**  trans-99.9138.9-17135.5-30.6000113
262T23.7Very low23Very low132 Ų132143.2 Ų143.281%0.8180%0.8SS**  trans-156.7110145.8-7.70000112.6
263T21.6Very low22.7Very low118 Ų118141.2 Ų141.272%0.72479%0.791SS**  trans49.3106140.7510000120.1
264V19.9Very low22.3Very low126 Ų126139.3 Ų139.376%0.76479%0.786SS**  79102.891.8-178.70000113.7
265T22.4Very low22.3Very low140 Ų140140.6 Ų140.686%0.85979%0.786SS**  175.1124.7112.638.40000111
266G19.8Very low22Very low72 Ų72141 Ų14174%0.74278%0.782SS**  trans101.297.813300000119.5
267S21.7Very low21.7Very low109 Ų109138.1 Ų138.176%0.76278%0.777SS**  trans102.2102.6131.877.40000120.2
268T19.9Very low21.5Very low117 Ų117140.3 Ų140.372%0.71878%0.78SS**  78.1111.1129.533.10000122.1
269L19.3Very low21.3Very low150 Ų150137.2 Ų137.279%0.78577%0.77SS**  77.7106.6127.3-60.7164.2000118.9
270K21.8Very low21.2Very low208 Ų208133.3 Ų133.390%0.90476%0.762SS**  -174.3138.891.8-96.9177.2-178.7177.30111.8
271V17.8Very low21Very low125 Ų125133.6 Ų133.676%0.75876%0.759SS**  trans-78.7171.1178.6178.30000110.2
272T20.2Very low20.8Very low113 Ų113135.2 Ų135.269%0.69376%0.76SS**  trans94.4134.316264.40000115.7
273E20.1Very low20.6Very low153 Ų153138.2 Ų138.272%0.71576%0.762SS**  cis-174149.1-8.1-115.6171.1-166.900105.7
274N20.7Very low20.6Very low129 Ų129139.4 Ų139.469%0.6977%0.769SS**  trans52.1114.7143.9-57.9-28.9000119.8
275I25.7Very low20.6Very low165 Ų165141.7 Ų141.785%0.84677%0.772SS**  -165.1107.1104-84.9145.6000107.4
276A18.7Very low20.5Very low84 Ų84143 Ų14369%0.69477%0.768SS**  trans-67.6141.3153.900000108.7
277T21.3Very low20.5Very low126 Ų126147.5 Ų147.577%0.77377%0.77SS**  174.8131.7115.229.30000114.2
278R19.7Very low20.5Very low236 Ų236149.5 Ų149.589%0.89177%0.77SS**  trans81.1113.6137.1-97.1176.1170.3161.5-3122.2
279S21.5Very low20.5Very low88 Ų88151.2 Ų151.262%0.61578%0.775SS**  104.194.9119.1-1520000117.8
280S19.9Very low20.7Very low93 Ų93149.6 Ų149.665%0.6578%0.776SS**  trans-13127.4136.453.50000118
281Y19.5Very low20.9Very low212 Ų212148 Ų14883%0.83177%0.772SS**  trans-153.699.7139.5-82.5-78.3000105.4
282I21.5Very low21.2Very low144 Ų144148.7 Ų148.774%0.73877%0.771SS**  46.9107.386.7-57.3-178.1000114.2
283K20Very low21.4Very low195 Ų195152 Ų15285%0.84878%0.778SS**  trans18.9116137-56179.9178-174.70117
284T21.1Very low21.7Very low142 Ų142149.5 Ų149.587%0.87178%0.778SS**  -161.4147.2120.7-13.50000110.1
285E19.8Very low22.1Very low175 Ų175153 Ų15382%0.81879%0.79SS**  trans-60169173.6-65.1159.6149.100112.4
286E20.8Very low22.2Very low168 Ų168149.7 Ų149.779%0.78578%0.782SS**  trans98.8108.5164.6-58.1-169.9155.100118.4
287Q20.7Very low22.4Very low166 Ų166152.9 Ų152.978%0.77678%0.782SS**  trans66.1104.7133.5-61.1-175.313.400118.9
288I20.3Very low22.6Very low151 Ų151155.7 Ų155.777%0.77479%0.786SS**  32.598.2124.1-50.4170.7000114.5
289N21.2Very low22.9Very low153 Ų153151.2 Ų151.282%0.81878%0.779SS**  -177.8111.8126.7-95.6-24.4000110.6
290S23.6Very low23.2Very low116 Ų116154.6 Ų154.681%0.81179%0.79SS**  trans-157.3109.6145.251.90000108.8
291Q24.3Very low23.6Very low174 Ų174157.4 Ų157.481%0.81380%0.797SS**  trans-52156.6149.4-72.4169.6-31.900109.6
292D24.6Very low24.5Very low140 Ų140153.9 Ų153.975%0.74979%0.793SS**  trans80.192.8168.5-54.2-28.7000116.7
293H25.1Very low25.6Very low181 Ų181155 Ų15584%0.83880%0.795SS**  177.6135.6108.3-92.5-66.9000112.3
294S26.4Very low27.4Very low101 Ų101148.2 Ų148.271%0.70677%0.768SS**  trans65.3108.2154.348.70000119.8S296S294-S296 PolarHBondContact O-N 3.47Å; S294-S296 VanDerWaalsContact O-N 3.08Å
295Q27.7Very low29.6Very low202 Ų202147.2 Ų147.294%0.94476%0.757SS**SBendtrans-54.392.3164.6-64164.3-14.500112.9
296S27.7Very low32.4Very low97 Ų97139.4 Ų139.468%0.67872%0.724SS**SBendtrans-171.412.2152.855.50000116.4S294S294-S296 PolarHBondContact O-N 3.47Å; S294-S296 VanDerWaalsContact O-N 3.08Å
297H24.4Very low35.4Very low150 Ų150132 Ų13269%0.69469%0.689SS**  trans-123.617.2-174.4-78.7-82.8000116.2L299H297-L299 PolarHBondContact O-N 2.92Å
298H24.7Very low38.6Very low185 Ų185125.3 Ų125.386%0.85666%0.657SS**THydrogen-bonded Turntrans-89.59.5-168.9-115.3-63.8000118.1
299L26Very low41.8Very low142 Ų142118.2 Ų118.274%0.74362%0.621SS**THydrogen-bonded Turntrans-136.226.4-173.8-68.9173.1000116.9H297H297-L299 PolarHBondContact O-N 2.92Å
300L27.8Very low45Very low160 Ų160112 Ų11284%0.83859%0.587SS**SBendtrans-100.25.7166.8-79.2168000114.2
301N27.4Very low48.1Very low151 Ų151107.4 Ų107.481%0.80755%0.551SS**  trans-110.923.3-172.7-81.95.3000116.1
302N39Very low50.9Low138 Ų138102 Ų10274%0.73853%0.526SS*.  trans-95.297.7159.9-81.8-2.2000108.3D304N302-D304 PolarHBondContact O-N 3.26Å
303E45.4Very low53.7Low169 Ų16995.5 Ų95.579%0.7949%0.491SS*.  trans-63.383.9166.7-67.2-175161.400109.3N305E303-N305 PolarHBondContact O-N 2.91Å
304D56.5Low56.4Low52 Ų5290.8 Ų90.828%0.27847%0.466SS..  trans-75.185.4-179.7-105.8-33.9000110.9N302 G306 R311 R314N302-D304 PolarHBondContact O-N 3.26Å; D304-G306 PolarHBondContact O-N 3.25Å; D304-R311 HydrophobicContact CB-CG 4.29Å; D304-R314 IonicContact OD1-CZ 3.53Å; D304-R314 IonicContact OD1-NH1 2.97Å; D304-R314 PolarHBondContact OD1-NH1 3Å
305N68.3Low58.7Low120 Ų12091.5 Ų91.564%0.64246%0.458SS*.  trans-76.826.4-171.5-71-25.1000116.5E303 F435E303-N305 PolarHBondContact O-N 2.91Å; N305-F435 WeakPolarHBondContact O-CE2 3.41Å
306G78.2Confident60.8Low12 Ų1283.6 Ų83.612%0.12442%0.422CS..SBendtrans-115.1164.4-178.300000113.5D304 R311D304-G306 PolarHBondContact O-N 3.25Å; G306-R311 WeakPolarHBondContact O-CD 3.47Å; G306-R311 PolarHBondContact O-NH1 3.37Å
307H85.3Confident62.7Low13 Ų1384.6 Ų84.66%0.0641%0.412CS..  trans-64.3162.2172.161.881.9000112.2T309 K310 R311 P543 A546H307-T309 PolarHBondContact CE1-OG1 2.7Å; H307-T309 PolarHBondContact ND1-OG1 2.95Å; H307-T309 PolarHBondContact O-N 2.84Å; H307-K310 WeakPolarHBondContact O-CB 3.4Å; H307-K310 PolarHBondContact O-N 3.1Å; H307-R311 PolarHBondContact O-N 3.01Å; H307-P543 PolarHBondContact CE1-O 3.01Å; H307-P543 VanDerWaalsContact CE1-O 3.23Å; H307-P543 PolarHBondContact NE2-O 2.82Å; H307-A546 PolarHBondContact CD2-O 2.89Å; H307-A546 PolarHBondContact NE2-O 3.29Å
308W87.4Confident64.4Low24 Ų2482.5 Ų82.59%0.09141%0.406CS..Hα-helixtrans-59.8-34.9-168.171.8-93000115.1R311 H312 Y539 V541 L556 L560 V687W308-R311 PolarHBondContact O-N 3.44Å; W308-H312 VanDerWaalsContact O-CB 3.24Å; W308-H312 WeakPolarHBondContact O-CB 3.36Å; W308-H312 PolarHBondContact O-N 3.29Å; W308-Y539 PolarHBondContact NE1-OH 2.83Å; W308-V541 HydrophobicContact CH2-CG1 4.1Å; W308-V541 HydrophobicContact CZ2-CG1 3.7Å; W308-V541 HydrophobicContact CZ2-CG2 4.07Å; W308-L556 HydrophobicContact CB-CB 4.09Å; W308-L556 VanDerWaalsContact CD1-N 3.29Å; W308-L556 HydrophobicContact CD2-CB 3.94Å; W308-L556 HydrophobicContact CD2-CD1 3.98Å; W308-L556 HydrophobicContact CD2-CG 4.45Å; W308-L556 HydrophobicContact CE3-CB 4.46Å; W308-L556 HydrophobicContact CE3-CD1 3.9Å; W308-L556 HydrophobicContact CG-CB 3.77Å; W308-L556 HydrophobicContact CH2-CD1 4.05Å; W308-L556 HydrophobicContact CZ2-CD1 4.12Å; W308-L556 HydrophobicContact CZ3-CD1 3.94Å; W308-L560 HydrophobicContact CH2-CD2 4.49Å; W308-V687 HydrophobicContact CH2-CG2 4.25Å
309T88Confident65.8Low3 Ų376 Ų762%0.01839%0.385CS..Hα-helixtrans-67.8-34.5176.544.30000112.9H307 L313 V541 L542H307-T309 PolarHBondContact CE1-OG1 2.7Å; H307-T309 PolarHBondContact ND1-OG1 2.95Å; H307-T309 PolarHBondContact O-N 2.84Å; T309-L313 WeakPolarHBondContact O-CB 3.23Å; T309-L313 PolarHBondContact O-N 3.11Å; T309-V541 HydrophobicContact CG2-CG1 3.57Å; T309-L542 WeakPolarHBondContact CB-O 3.46Å; T309-L542 PolarHBondContact OG1-O 3.48Å
310K88Confident66.8Low23 Ų2379.3 Ų79.310%0.139%0.393CS..Hα-helixtrans-66.5-44.8173.7-170.1166.8-167.5160.20111.1H307 L313 R314 P544 D547 L658H307-K310 WeakPolarHBondContact O-CB 3.4Å; H307-K310 PolarHBondContact O-N 3.1Å; K310-L313 PolarHBondContact O-N 3.3Å; K310-R314 WeakPolarHBondContact O-CG 3.4Å; K310-R314 PolarHBondContact O-N 2.92Å; K310-R314 VanDerWaalsContact O-N 3.08Å; K310-P544 WeakPolarHBondContact CB-O 3.37Å; K310-P544 WeakPolarHBondContact CD-O 3.38Å; K310-P544 VanDerWaalsContact CG-O 3.28Å; K310-P544 WeakPolarHBondContact CG-O 3.48Å; K310-D547 IonicContact NZ-OD1 2.68Å; K310-D547 PolarHBondContact NZ-OD1 3.43Å; K310-L658 HydrophobicContact CG-CD2 3.94Å
311R87.2Confident67.3Low18 Ų1875.8 Ų75.87%0.06838%0.381CS..Hα-helixtrans-63.5-45.1175.9-59.8-170.8-50.4-103.72111.7D304 G306 H307 W308 L313 R314 E315 D436D304-R311 HydrophobicContact CB-CG 4.29Å; G306-R311 WeakPolarHBondContact O-CD 3.47Å; G306-R311 PolarHBondContact O-NH1 3.37Å; H307-R311 PolarHBondContact O-N 3.01Å; W308-R311 PolarHBondContact O-N 3.44Å; R311-L313 VanDerWaalsContact C-N 3.35Å; R311-L313 PolarHBondContact O-N 3.39Å; R311-R314 WeakPolarHBondContact O-CB 3.39Å; R311-R314 PolarHBondContact O-N 2.83Å; R311-R314 VanDerWaalsContact O-N 3.12Å; R311-E315 WeakPolarHBondContact O-CG 3.32Å; R311-E315 PolarHBondContact O-N 2.77Å; R311-D436 IonicContact CZ-OD1 3.6Å; R311-D436 IonicContact CZ-OD2 3.52Å; R311-D436 IonicContact NH1-OD1 3.74Å; R311-D436 PolarHBondContact NH1-OD1 3.48Å; R311-D436 IonicContact NH1-OD2 3Å; R311-D436 IonicContact NH2-OD1 2.66Å; R311-D436 PolarHBondContact NH2-OD1 3.44Å; R311-D436 IonicContact NH2-OD2 3.89Å; R311-D436 PolarHBondContact NH2-OD2 2.8Å
312H83.3Confident68Low60 Ų6073.2 Ų73.228%0.27838%0.376SS..Hα-helixtrans-61.2-41.3178-172.352.9000112.3W308 E315 D316W308-H312 VanDerWaalsContact O-CB 3.24Å; W308-H312 WeakPolarHBondContact O-CB 3.36Å; W308-H312 PolarHBondContact O-N 3.29Å; H312-E315 IonicContact ND1-OE2 3.65Å; H312-E315 WeakPolarHBondContact O-CB 3.33Å; H312-E315 PolarHBondContact O-N 2.79Å; H312-D316 IonicContact CE1-OD1 3.43Å; H312-D316 PolarHBondContact O-N 3Å
313L83.3Confident68.1Low4 Ų473.7 Ų73.72%0.02138%0.378CS..Hα-helixtrans-65.1-39174.3-174.965000112T309 K310 R311 D316 Y317 P544 D656 L658T309-L313 WeakPolarHBondContact O-CB 3.23Å; T309-L313 PolarHBondContact O-N 3.11Å; K310-L313 PolarHBondContact O-N 3.3Å; R311-L313 VanDerWaalsContact C-N 3.35Å; R311-L313 PolarHBondContact O-N 3.39Å; L313-D316 WeakPolarHBondContact O-CB 3.24Å; L313-D316 PolarHBondContact O-N 3.18Å; L313-Y317 HydrophobicContact CD1-CD2 4.28Å; L313-Y317 HydrophobicContact CD1-CE2 3.83Å; L313-Y317 HydrophobicContact CD2-CE2 4.07Å; L313-Y317 HydrophobicContact CG-CD2 3.99Å; L313-Y317 HydrophobicContact CG-CE2 3.69Å; L313-Y317 WeakPolarHBondContact O-CD2 3.4Å; L313-Y317 PolarHBondContact O-N 3.13Å; L313-Y317 VanDerWaalsContact O-N 3.1Å; L313-P544 HydrophobicContact CB-CB 4.05Å; L313-P544 HydrophobicContact CB-CG 4.23Å; L313-P544 HydrophobicContact CD2-CB 3.47Å; L313-P544 VanDerWaalsContact CD2-CB 3.47Å; L313-P544 HydrophobicContact CD2-CG 3.84Å; L313-P544 HydrophobicContact CG-CB 4.39Å; L313-D656 WeakPolarHBondContact CD2-O 3.44Å; L313-L658 HydrophobicContact CB-CD2 4.11Å; L313-L658 HydrophobicContact CD2-CD2 3.89Å; L313-L658 HydrophobicContact CD2-CG 4.09Å; L313-L658 HydrophobicContact CG-CD2 4.13Å
314R82.2Confident68.3Low83 Ų8368.4 Ų68.431%0.31336%0.357SS..Hα-helixtrans-61.6-43.4173.6-73.2178.3176.9179.7-2.8112D304 K310 R311 D316 Y317 N318 L658D304-R314 IonicContact OD1-CZ 3.53Å; D304-R314 IonicContact OD1-NH1 2.97Å; D304-R314 PolarHBondContact OD1-NH1 3Å; K310-R314 WeakPolarHBondContact O-CG 3.4Å; K310-R314 PolarHBondContact O-N 2.92Å; K310-R314 VanDerWaalsContact O-N 3.08Å; R311-R314 WeakPolarHBondContact O-CB 3.39Å; R311-R314 PolarHBondContact O-N 2.83Å; R311-R314 VanDerWaalsContact O-N 3.12Å; R314-D316 VanDerWaalsContact C-N 3.28Å; R314-D316 PolarHBondContact O-N 3.36Å; R314-Y317 PolarHBondContact O-N 3.14Å; R314-N318 VanDerWaalsContact O-CB 3.26Å; R314-N318 WeakPolarHBondContact O-CB 3.26Å; R314-N318 PolarHBondContact O-N 3.49Å; R314-N318 PolarHBondContact O-ND2 2.99Å; R314-L658 HydrophobicContact CG-CD1 3.73Å; R314-L658 HydrophobicContact CG-CD2 3.61Å; R314-L658 HydrophobicContact CG-CG 4.35Å
315E74.8Confident68.1Low115 Ų11569.6 Ų69.654%0.53736%0.363SS..Hα-helixtrans-58-42.7175.6-72.8169.1-176.800110.9R311 H312 Y317 N318 A319R311-E315 WeakPolarHBondContact O-CG 3.32Å; R311-E315 PolarHBondContact O-N 2.77Å; H312-E315 IonicContact ND1-OE2 3.65Å; H312-E315 WeakPolarHBondContact O-CB 3.33Å; H312-E315 PolarHBondContact O-N 2.79Å; E315-Y317 PolarHBondContact O-N 2.68Å; E315-N318 CarbonylContact O-C 3.51Å; E315-N318 PolarHBondContact O-N 3.34Å; E315-N318 VanDerWaalsContact O-N 3.14Å; E315-A319 WeakPolarHBondContact O-CA 3.49Å; E315-A319 VanDerWaalsContact O-CB 3.32Å; E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 3.38Å
316D71.4Confident67.5Low36 Ų3673.4 Ų73.419%0.19337%0.374CS..Hα-helixtrans-62.1-43176.2-66.5-17.4000112.4H312 L313 R314 N318 Q392 K686H312-D316 IonicContact CE1-OD1 3.43Å; H312-D316 PolarHBondContact O-N 3Å; L313-D316 WeakPolarHBondContact O-CB 3.24Å; L313-D316 PolarHBondContact O-N 3.18Å; R314-D316 VanDerWaalsContact C-N 3.28Å; R314-D316 PolarHBondContact O-N 3.36Å; D316-N318 VanDerWaalsContact C-N 3.3Å; D316-N318 PolarHBondContact O-N 3Å; D316-Q392 PolarHBondContact OD1-NE2 2.99Å; D316-K686 IonicContact OD2-NZ 2.9Å; D316-K686 PolarHBondContact OD2-NZ 3.48Å
317Y67.3Low66.6Low118 Ų11875 Ų7546%0.46338%0.379SS..Hα-helixtrans-64.1-36.1173.5-80.6-70.1000112.1L313 R314 E315 L658L313-Y317 HydrophobicContact CD1-CD2 4.28Å; L313-Y317 HydrophobicContact CD1-CE2 3.83Å; L313-Y317 HydrophobicContact CD2-CE2 4.07Å; L313-Y317 HydrophobicContact CG-CD2 3.99Å; L313-Y317 HydrophobicContact CG-CE2 3.69Å; L313-Y317 WeakPolarHBondContact O-CD2 3.4Å; L313-Y317 PolarHBondContact O-N 3.13Å; L313-Y317 VanDerWaalsContact O-N 3.1Å; R314-Y317 PolarHBondContact O-N 3.14Å; E315-Y317 PolarHBondContact O-N 2.68Å; Y317-L658 HydrophobicContact CD2-CD1 4.44Å
318N61.9Low65.6Low107 Ų10777.6 Ų77.657%0.57240%0.403SS*.Hα-helixtrans-89.3-6.3-176.6-68.4-21.3000114R314 E315 D316 K320 S321R314-N318 VanDerWaalsContact O-CB 3.26Å; R314-N318 WeakPolarHBondContact O-CB 3.26Å; R314-N318 PolarHBondContact O-N 3.49Å; R314-N318 PolarHBondContact O-ND2 2.99Å; E315-N318 CarbonylContact O-C 3.51Å; E315-N318 PolarHBondContact O-N 3.34Å; E315-N318 VanDerWaalsContact O-N 3.14Å; D316-N318 VanDerWaalsContact C-N 3.3Å; D316-N318 PolarHBondContact O-N 3Å; N318-K320 PolarHBondContact O-N 2.84Å; N318-S321 PolarHBondContact O-N 2.85Å; N318-S321 VanDerWaalsContact O-N 3.15Å
319A54.2Low64.4Low49 Ų4982.8 Ų82.841%0.40543%0.433SS..THydrogen-bonded Turntrans-62.69.2-172.700000115.3E315 S321E315-A319 WeakPolarHBondContact O-CA 3.49Å; E315-A319 VanDerWaalsContact O-CB 3.32Å; E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 3.38Å; A319-S321 PolarHBondContact O-N 2.82Å
320K46.7Very low63.3Low211 Ų21189 Ų8992%0.91747%0.466SS*.THydrogen-bonded Turntrans-65.6-11159.9-68.3-176.6178.9177.40113.2N318N318-K320 PolarHBondContact O-N 2.84Å
321S36.9Very low62.5Low85 Ų8589.5 Ų89.559%0.59447%0.474SS*.SBendtrans-128.7100.4168.658.80000111.5N318 A319 N323N318-S321 PolarHBondContact O-N 2.85Å; N318-S321 VanDerWaalsContact O-N 3.15Å; A319-S321 PolarHBondContact O-N 2.82Å; S321-N323 PolarHBondContact O-N 2.67Å
322S42Very low62.3Low98 Ų9893.9 Ų93.969%0.68549%0.493SS*.  trans-76.6116.5-178.650.60000112.6T324S322-T324 PolarHBondContact O-N 2.72Å
323N42.1Very low62.6Low148 Ų14893.2 Ų93.279%0.79149%0.492SS*.  trans-73.556.2162.1-84.9-15.7000110.9S321S321-N323 PolarHBondContact O-N 2.67Å
324T48.9Very low63Low58 Ų5893.3 Ų93.336%0.35649%0.492SS..  trans-74.2136.3171.7-46.40000108.6S322 K326S322-T324 PolarHBondContact O-N 2.72Å; T324-K326 PolarHBondContact O-N 3.19Å
325I52.3Low63.6Low76 Ų7689.3 Ų89.339%0.3948%0.477SS..  trans-51.9106.2162.5-61.1173000106.6D238 L327D238-I325 HydrophobicContact CB-CD1 4.12Å; I325-L327 VanDerWaalsContact C-N 3.33Å; I325-L327 PolarHBondContact O-N 3.29Å
326K55.6Low64.6Low200 Ų20083.9 Ų83.987%0.8745%0.452SS*.  trans-66.3102.9166.9-73.6-175.8-179.5177.50104.8T324 A328T324-K326 PolarHBondContact O-N 3.19Å; K326-A328 PolarHBondContact O-N 3.46Å
327L60.2Low65.8Low45 Ų4582.9 Ų82.924%0.23645%0.448CS..  trans-51.4121.3168-88.896.3000106.7L228 N232 A244 I325 D329 A331L228-L327 HydrophobicContact CB-CD2 4.39Å; N232-L327 HydrophobicContact CB-CD1 3.69Å; A244-L327 HydrophobicContact CB-CD2 4.15Å; I325-L327 VanDerWaalsContact C-N 3.33Å; I325-L327 PolarHBondContact O-N 3.29Å; L327-D329 PolarHBondContact O-N 2.71Å; L327-A331 HydrophobicContact CB-CB 4.36Å; L327-A331 HydrophobicContact CD2-CB 3.86Å; L327-A331 HydrophobicContact CG-CB 4.42Å
328A64.1Low67.2Low69 Ų6977.5 Ų77.557%0.5743%0.428SS*.  trans-55.7142.2169.500000108K326 N330 A331K326-A328 PolarHBondContact O-N 3.46Å; A328-N330 PolarHBondContact O-N 3.14Å; A328-A331 WeakPolarHBondContact O-CB 3.32Å; A328-A331 PolarHBondContact O-N 3.21Å
329D63.2Low68.6Low132 Ų13277.4 Ų77.471%0.70642%0.424SS*.THydrogen-bonded Turntrans-57.5-18.4-179.7-78.7-45.9000113.2R229 L327R229-D329 IonicContact NH2-OD1 3.76Å; R229-D329 PolarHBondContact NH2-OD1 3.28Å; L327-D329 PolarHBondContact O-N 2.71Å
330N63.9Low70.3Confident135 Ų13577.3 Ų77.372%0.72242%0.416SS*.THydrogen-bonded Turntrans-98.311.5178.1-60.9-11.5000114.2A328 K332A328-N330 PolarHBondContact O-N 3.14Å; N330-K332 PolarHBondContact O-N 3.43Å; N330-K332 VanDerWaalsContact O-N 3.14Å
331A71Confident72.4Confident32 Ų3269.1 Ų69.126%0.26438%0.381SS..  trans-60.8115.5-179.500000111.2A244 L327 A328A244-A331 HydrophobicContact CB-CB 3.87Å; L327-A331 HydrophobicContact CB-CB 4.36Å; L327-A331 HydrophobicContact CD2-CB 3.86Å; L327-A331 HydrophobicContact CG-CB 4.42Å; A328-A331 WeakPolarHBondContact O-CB 3.32Å; A328-A331 PolarHBondContact O-N 3.21Å
332K83.3Confident75Confident110 Ų11065.4 Ų65.448%0.47835%0.354SS..EExtended strand (participates in β ladder)trans-75.1136.2179.1-67.2173.5-173142.60110.6A244 K245 D247 N330 N334A244-K332 CarbonylContact C-O 3.5Å; A244-K332 WeakPolarHBondContact CA-O 3.42Å; K245-K332 HydrophobicContact CB-CB 4.26Å; K245-K332 PolarHBondContact N-O 2.85Å; D247-K332 IonicContact OD1-NZ 3.4Å; D247-K332 PolarHBondContact OD1-NZ 2.75Å; D247-K332 IonicContact OD2-NZ 3.62Å; D247-K332 PolarHBondContact OD2-NZ 2.99Å; N330-K332 PolarHBondContact O-N 3.43Å; N330-K332 VanDerWaalsContact O-N 3.14Å; K332-N334 PolarHBondContact O-N 3.2Å
333L89.1Confident77.3Confident47 Ų4760.8 Ų60.825%0.24632%0.322CS..EExtended strand (participates in β ladder)trans-56.8133.5174.3-178.668.9000111.4R224 L226 L228 A335 L365R224-L333 HydrophobicContact CB-CD2 4.17Å; R224-L333 WeakPolarHBondContact O-CD2 3.49Å; L226-L333 HydrophobicContact CB-CD1 4.03Å; L226-L333 HydrophobicContact CD1-CD1 4.06Å; L228-L333 HydrophobicContact CD1-CB 4.35Å; L228-L333 HydrophobicContact CD1-CD1 3.71Å; L228-L333 HydrophobicContact CD2-CD1 3.75Å; L228-L333 HydrophobicContact CG-CD1 3.72Å; L333-A335 WeakPolarHBondContact CD1-O 3.5Å; L333-A335 WeakPolarHBondContact CD2-O 3.29Å; L333-A335 WeakPolarHBondContact CG-O 3.39Å; L333-L365 HydrophobicContact CG-CD2 4.36Å; L333-L365 WeakPolarHBondContact O-CD2 3.42Å
334N93Very high79.6Confident5 Ų556.8 Ų56.83%0.02730%0.297CS..  trans-123.911.8176-156.921.1000113.6L243 K245 K332 E366 Y367L243-N334 WeakPolarHBondContact O-CB 3.43Å; L243-N334 PolarHBondContact O-N 3.07Å; K245-N334 WeakPolarHBondContact CE-OD1 3.41Å; K245-N334 HydrophobicContact CG-CB 3.69Å; K332-N334 PolarHBondContact O-N 3.2Å; N334-E366 PolarHBondContact ND2-OE2 2.69Å; N334-E366 PolarHBondContact O-N 2.9Å; N334-E366 VanDerWaalsContact O-N 3.12Å; N334-E366 PolarHBondContact OD1-N 2.92Å; N334-Y367 HydrophobicContact CB-CD2 4.36Å; N334-Y367 WeakPolarHBondContact O-CD2 3.29Å; N334-Y367 PolarHBondContact O-N 3.48Å
335A94.4Very high81.2Confident0 Ų058.3 Ų58.30%031%0.308CS..EExtended strand (participates in β ladder)trans-134.2155.2-176.700000112.2L226 L243 L333 Y367 V369L226-A335 HydrophobicContact CD1-CB 3.81Å; L226-A335 VanDerWaalsContact CD1-O 3.26Å; L226-A335 WeakPolarHBondContact CD1-O 3.48Å; L243-A335 HydrophobicContact CB-CB 4.15Å; L243-A335 HydrophobicContact CD1-CB 4.42Å; L243-A335 HydrophobicContact CD2-CB 4.47Å; L333-A335 WeakPolarHBondContact CD1-O 3.5Å; L333-A335 WeakPolarHBondContact CD2-O 3.29Å; L333-A335 WeakPolarHBondContact CG-O 3.39Å; A335-Y367 CarbonylContact C-O 3.59Å; A335-Y367 WeakPolarHBondContact CA-O 3.28Å; A335-V369 HydrophobicContact CB-CG1 4.2Å
336F96.1Very high82.7Confident0 Ų060.5 Ų60.50%032%0.317CS..EExtended strand (participates in β ladder)trans-121.7150.1163.661.6-95.2000110.4A222 T223 I338 L358 F359 F362 L365 Y367 A368 V369A222-F336 HydrophobicContact CB-CD2 3.84Å; A222-F336 HydrophobicContact CB-CE2 4.2Å; T223-F336 CarbonylContact O-C 3.55Å; T223-F336 WeakPolarHBondContact O-CA 3.43Å; T223-F336 WeakPolarHBondContact O-CB 3.28Å; F336-I338 HydrophobicContact CE2-CG1 4.37Å; F336-L358 HydrophobicContact CE2-CD2 3.72Å; F336-L358 HydrophobicContact CE2-CG 3.91Å; F336-L358 HydrophobicContact CZ-CD2 4.17Å; F336-L358 HydrophobicContact CZ-CG 4.13Å; F336-F359 AromaticContact CE1-CD1 3.57Å; F336-F359 HydrophobicContact CE1-CD1 3.57Å; F336-F359 AromaticContact CE1-CE1 3.52Å; F336-F359 HydrophobicContact CE1-CE1 3.52Å; F336-F359 HydrophobicContact CE1-CG 4.14Å; F336-F359 HydrophobicContact CE1-CZ 4.06Å; F336-F359 AromaticContact CZ-CD1 3.95Å; F336-F359 HydrophobicContact CZ-CD1 3.95Å; F336-F359 HydrophobicContact CZ-CD2 4.15Å; F336-F359 AromaticContact CZ-CE1 3.86Å; F336-F359 HydrophobicContact CZ-CE1 3.86Å; F336-F359 HydrophobicContact CZ-CE2 4.08Å; F336-F359 HydrophobicContact CZ-CG 4.11Å; F336-F359 AromaticContact CZ-CZ 3.94Å; F336-F359 HydrophobicContact CZ-CZ 3.94Å; F336-F362 HydrophobicContact CB-CD2 4.33Å; F336-F362 HydrophobicContact CB-CG 4.39Å; F336-F362 HydrophobicContact CD1-CB 3.82Å; F336-F362 AromaticContact CD1-CD2 3.82Å; F336-F362 HydrophobicContact CD1-CD2 3.82Å; F336-F362 AromaticContact CD1-CG 3.94Å; F336-F362 HydrophobicContact CD1-CG 3.94Å; F336-F362 HydrophobicContact CD2-CD2 4.14Å; F336-F362 HydrophobicContact CD2-CE2 4.29Å; F336-F362 HydrophobicContact CE1-CB 4.13Å; F336-F362 HydrophobicContact CE1-CD2 4.08Å; F336-F362 HydrophobicContact CE1-CG 4.44Å; F336-F362 HydrophobicContact CE2-CD2 4.39Å; F336-F362 AromaticContact CG-CD2 3.83Å; F336-F362 HydrophobicContact CG-CD2 3.83Å; F336-F362 HydrophobicContact CG-CE2 4.25Å; F336-F362 HydrophobicContact CG-CG 4.19Å; F336-F362 HydrophobicContact CZ-CD2 4.35Å; F336-L365 HydrophobicContact CB-CD1 3.86Å; F336-L365 HydrophobicContact CD1-CB 4.08Å; F336-L365 HydrophobicContact CD1-CD1 4.15Å; F336-Y367 WeakPolarHBondContact CD1-O 3.44Å; F336-Y367 PolarHBondContact N-O 3.02Å; F336-A368 HydrophobicContact CD2-CB 4.25Å; F336-A368 HydrophobicContact CE1-CB 4.2Å; F336-A368 HydrophobicContact CE2-CB 3.52Å; F336-A368 HydrophobicContact CZ-CB 3.51Å; F336-A368 CarbonylContact O-C 3.52Å; F336-A368 WeakPolarHBondContact O-CA 3.44Å; F336-V369 PolarHBondContact O-N 3.38Å
337A96.1Very high84.2Confident15 Ų1552.3 Ų52.312%0.12428%0.281CS..EExtended strand (participates in β ladder)trans-95129.9178.900000111.1A222 T223 L226 Q339 V369A222-A337 CarbonylContact C-O 3.55Å; A222-A337 WeakPolarHBondContact CA-O 3.39Å; T223-A337 HydrophobicContact CG2-CB 4.03Å; T223-A337 PolarHBondContact N-O 2.79Å; T223-A337 PolarHBondContact O-N 3.2Å; L226-A337 HydrophobicContact CD1-CB 4.36Å; L226-A337 HydrophobicContact CD2-CB 3.4Å; L226-A337 HydrophobicContact CG-CB 3.88Å; A337-Q339 PolarHBondContact O-N 2.85Å; A337-V369 CarbonylContact C-O 3.46Å; A337-V369 WeakPolarHBondContact CA-O 3.49Å; A337-V369 HydrophobicContact CB-CG2 4.08Å
338I95.4Very high85.5Confident6 Ų652.9 Ų52.93%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-78.6112.2163.5-61171.7000107.3V220 F336 F341 L358 A368 V369 I370 M381 F385V220-I338 HydrophobicContact CG1-CG2 4.09Å; F336-I338 HydrophobicContact CE2-CG1 4.37Å; I338-F341 HydrophobicContact CG2-CB 4.16Å; I338-L358 HydrophobicContact CD1-CD2 4.3Å; I338-L358 HydrophobicContact CG1-CD2 4.24Å; I338-A368 HydrophobicContact CD1-CB 4.36Å; I338-V369 PolarHBondContact N-O 2.84Å; I338-I370 HydrophobicContact CB-CB 4.19Å; I338-I370 HydrophobicContact CB-CD1 4.32Å; I338-I370 HydrophobicContact CB-CG1 4.29Å; I338-I370 HydrophobicContact CG2-CD1 4Å; I338-I370 HydrophobicContact CG2-CG1 4.43Å; I338-M381 HydrophobicContact CD1-CE 4.39Å; I338-F385 HydrophobicContact CD1-CE1 4.31Å; I338-F385 HydrophobicContact CD1-CZ 3.98Å
339Q91.7Very high86.4Confident105 Ų10550.2 Ų50.249%0.49126%0.26SS..EExtended strand (participates in β ladder)trans-86.8-41.6-178.3-65.1-177.4-48.500111.9S221 T223 A337S221-Q339 PolarHBondContact O-N 3.01Å; T223-Q339 HydrophobicContact CG2-CG 3.68Å; A337-Q339 PolarHBondContact O-N 2.85Å
340L90.4Very high87.6Confident46 Ų4645 Ų4524%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-134.3134.3179.5-66.8170.6000108.5L185 L197 F219 V220 S221L185-L340 HydrophobicContact CD1-CD1 4.37Å; L185-L340 HydrophobicContact CD1-CD2 3.68Å; L197-L340 HydrophobicContact CD2-CD1 3.63Å; F219-L340 HydrophobicContact CE1-CB 4.4Å; V220-L340 CarbonylContact C-O 3.59Å; V220-L340 WeakPolarHBondContact CA-O 3.49Å; S221-L340 PolarHBondContact N-O 3.08Å; S221-L340 PolarHBondContact O-N 3.19Å
341F91.8Very high88.9Confident40 Ų4038.7 Ų38.718%0.17520%0.197CC..EExtended strand (participates in β ladder)trans-135.8128.1172.2168.1-102.6000107.6V220 I338 M343 F351 M354 F379 M381V220-F341 HydrophobicContact CG2-CD2 3.66Å; V220-F341 HydrophobicContact CG2-CE2 4.34Å; I338-F341 HydrophobicContact CG2-CB 4.16Å; F341-M343 HydrophobicContact CZ-CB 4.19Å; F341-F351 HydrophobicContact CE2-CB 4.43Å; F341-F351 HydrophobicContact CZ-CB 4.25Å; F341-M354 HydrophobicContact CE2-SD 4.39Å; F341-F379 HydrophobicContact CD1-CD2 4.01Å; F341-F379 AromaticContact CD1-CE2 3.38Å; F341-F379 HydrophobicContact CD1-CE2 3.38Å; F341-F379 AromaticContact CD1-CZ 3.84Å; F341-F379 HydrophobicContact CD1-CZ 3.84Å; F341-F379 AromaticContact CE1-CD2 3.61Å; F341-F379 HydrophobicContact CE1-CD2 3.61Å; F341-F379 AromaticContact CE1-CE2 3.42Å; F341-F379 HydrophobicContact CE1-CE2 3.42Å; F341-F379 VanDerWaalsContact CE1-CE2 3.42Å; F341-F379 HydrophobicContact CE1-CZ 4.3Å; F341-F379 HydrophobicContact CG-CE2 4.38Å; F341-F379 HydrophobicContact CZ-CE2 4.44Å; F341-M381 HydrophobicContact CB-CE 4.04Å; F341-M381 HydrophobicContact CD1-CE 3.86Å; F341-M381 HydrophobicContact CD2-CE 3.69Å; F341-M381 HydrophobicContact CD2-SD 3.88Å; F341-M381 HydrophobicContact CE1-CB 4.43Å; F341-M381 HydrophobicContact CE1-CE 4.23Å; F341-M381 HydrophobicContact CE2-CE 4.07Å; F341-M381 HydrophobicContact CE2-SD 3.74Å; F341-M381 HydrophobicContact CG-CE 3.57Å; F341-M381 HydrophobicContact CG-SD 4.34Å; F341-M381 HydrophobicContact CZ-CB 4.22Å; F341-M381 HydrophobicContact CZ-CE 4.32Å; F341-M381 HydrophobicContact CZ-SD 4.11Å
342I90.5Very high89.7Confident6 Ų639.5 Ų39.53%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-145.4145.6170-167.4155.5000110.9L177 I178 Q181 G218 F219L177-I342 VanDerWaalsContact C-CD1 3.48Å; L177-I342 HydrophobicContact CB-CD1 4.45Å; L177-I342 HydrophobicContact CD2-CD1 4.39Å; L177-I342 HydrophobicContact CD2-CG1 4Å; L177-I342 HydrophobicContact CD2-CG2 4.16Å; L177-I342 HydrophobicContact CG-CD1 3.79Å; L177-I342 HydrophobicContact CG-CG1 3.89Å; L177-I342 WeakPolarHBondContact O-CD1 3.34Å; I178-I342 VanDerWaalsContact CA-CD1 3.42Å; I178-I342 HydrophobicContact CB-CD1 4.18Å; I178-I342 HydrophobicContact CD1-CG2 4.44Å; I178-I342 HydrophobicContact CG1-CB 4.42Å; I178-I342 HydrophobicContact CG1-CD1 3.86Å; I178-I342 HydrophobicContact CG1-CG2 3.81Å; Q181-I342 HydrophobicContact CB-CD1 4.45Å; Q181-I342 VanDerWaalsContact CD-CD1 3.44Å; Q181-I342 HydrophobicContact CG-CD1 3.93Å; G218-I342 CarbonylContact C-O 3.34Å; G218-I342 VanDerWaalsContact CA-O 3.22Å; G218-I342 WeakPolarHBondContact CA-O 3.34Å; F219-I342 HydrophobicContact CB-CG2 3.83Å; F219-I342 HydrophobicContact CD1-CG2 4.42Å; F219-I342 PolarHBondContact N-O 3.27Å; F219-I342 PolarHBondContact O-N 3.06Å
343M90.6Very high90Very high2 Ų235.8 Ų35.81%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-150.5149.5172-152.9153.575.600109.9L161 V210 F341 F347 E348 F351 M354L161-M343 HydrophobicContact CD1-SD 4.36Å; V210-M343 HydrophobicContact CG2-SD 4.09Å; F341-M343 HydrophobicContact CZ-CB 4.19Å; M343-F347 HydrophobicContact CE-CB 4.41Å; M343-F347 WeakPolarHBondContact CE-O 3.38Å; M343-F347 HydrophobicContact CG-CB 4.36Å; M343-E348 VanDerWaalsContact CE-C 3.5Å; M343-E348 WeakPolarHBondContact CE-O 3.13Å; M343-F351 HydrophobicContact CE-CB 3.85Å; M343-M354 HydrophobicContact SD-SD 4.08Å
344K89.5Confident90.1Very high63 Ų6333.6 Ų33.627%0.27417%0.169SC..  trans-61.8137.5172.1-80.4-175.3-179.51750110.9L177 V217 E346 F347 E348L177-K344 HydrophobicContact CD1-CB 4.48Å; L177-K344 HydrophobicContact CD1-CG 3.47Å; L177-K344 VanDerWaalsContact CD1-CG 3.47Å; L177-K344 HydrophobicContact CD2-CG 4.18Å; L177-K344 HydrophobicContact CG-CG 4.49Å; V217-K344 HydrophobicContact CB-CD 4.19Å; V217-K344 HydrophobicContact CG1-CD 4.1Å; V217-K344 PolarHBondContact O-N 3.07Å; K344-E346 PolarHBondContact O-N 2.87Å; K344-E346 VanDerWaalsContact O-N 3.14Å; K344-F347 HydrophobicContact CB-CD2 3.96Å; K344-F347 PolarHBondContact O-N 3.13Å; K344-E348 PolarHBondContact O-N 2.76Å
345P84.1Confident90.1Very high90 Ų9033.4 Ų33.458%0.58417%0.168SC*.G310 helixtrans-52.6-36.5-177.9-29.936.3000114.5F347 E348P345-F347 PolarHBondContact O-N 3.06Å; P345-E348 PolarHBondContact O-N 3.12Å
346E82.5Confident90.1Very high123 Ų12336.5 Ų36.558%0.57519%0.189SC*.G310 helixtrans-67.3-24.1-178.4-48.190.1-174.900112.8K344K344-E346 PolarHBondContact O-N 2.87Å; K344-E346 VanDerWaalsContact O-N 3.14Å
347F88.2Confident90Very high27 Ų2738 Ų3812%0.11820%0.197CC..G310 helixtrans-102.8-5.9-176.8-64.6-77.3000112.9P159 L161 Y212 V217 M343 K344 P345 S349 R350P159-F347 HydrophobicContact CG-CE1 4.28Å; L161-F347 HydrophobicContact CD1-CB 4.21Å; L161-F347 HydrophobicContact CD1-CD1 4.41Å; L161-F347 HydrophobicContact CD2-CD1 3.74Å; L161-F347 HydrophobicContact CD2-CE1 4.03Å; L161-F347 HydrophobicContact CD2-CG 4.47Å; Y212-F347 HydrophobicContact CD1-CE1 4.14Å; Y212-F347 AromaticContact CD1-CZ 3.6Å; Y212-F347 HydrophobicContact CD1-CZ 3.6Å; Y212-F347 HydrophobicContact CD2-CE1 4.39Å; Y212-F347 HydrophobicContact CE1-CZ 4.15Å; Y212-F347 AromaticContact CG-CE1 3.99Å; Y212-F347 HydrophobicContact CG-CE1 3.99Å; Y212-F347 AromaticContact CG-CZ 3.87Å; Y212-F347 HydrophobicContact CG-CZ 3.87Å; V217-F347 HydrophobicContact CB-CD2 4.08Å; V217-F347 HydrophobicContact CB-CE2 4.32Å; V217-F347 HydrophobicContact CG1-CD2 4.33Å; V217-F347 HydrophobicContact CG1-CE2 4.06Å; V217-F347 HydrophobicContact CG2-CD2 4.32Å; V217-F347 HydrophobicContact CG2-CG 4.38Å; M343-F347 HydrophobicContact CE-CB 4.41Å; M343-F347 WeakPolarHBondContact CE-O 3.38Å; M343-F347 HydrophobicContact CG-CB 4.36Å; K344-F347 HydrophobicContact CB-CD2 3.96Å; K344-F347 PolarHBondContact O-N 3.13Å; P345-F347 PolarHBondContact O-N 3.06Å; F347-S349 PolarHBondContact O-N 2.99Å; F347-R350 WeakPolarHBondContact O-CA 3.18Å; F347-R350 WeakPolarHBondContact O-CB 3.44Å; F347-R350 PolarHBondContact O-N 2.6Å
348E86.4Confident89.9Confident57 Ų5737.4 Ų37.427%0.26619%0.191SC..G310 helixtrans-46.3-34.3-174.4-86-173.2-171.400114.1M343 K344 P345 R350 F351 P380M343-E348 VanDerWaalsContact CE-C 3.5Å; M343-E348 WeakPolarHBondContact CE-O 3.13Å; K344-E348 PolarHBondContact O-N 2.76Å; P345-E348 PolarHBondContact O-N 3.12Å; E348-R350 PolarHBondContact O-N 3.44Å; E348-F351 WeakPolarHBondContact O-CD1 3.36Å; E348-F351 PolarHBondContact O-N 2.63Å; E348-P380 HydrophobicContact CB-CG 4.18Å; E348-P380 WeakPolarHBondContact OE2-CD 3.27Å; E348-P380 WeakPolarHBondContact OE2-CG 3.36Å
349S83.6Confident89.9Confident14 Ų1437.1 Ų37.110%0.09819%0.189CC..G310 helixtrans-70.7-3.4177.476.30000115.7R154 F347R154-S349 PolarHBondContact NH2-O 3.25Å; R154-S349 VanDerWaalsContact NH2-O 3.14Å; R154-S349 PolarHBondContact NH2-OG 3.45Å; F347-S349 PolarHBondContact O-N 2.99Å
350R88.9Confident90Very high21 Ų2134.7 Ų34.78%0.07918%0.184CC..G310 helixtrans-108.612178.8-63.1-61.6-58.2-160.916.9113.4F158 P159 V160 L161 F347 E348 M352 D353F158-R350 HydrophobicContact CB-CG 4.24Å; F158-R350 PolarHBondContact O-NH1 2.79Å; P159-R350 PolarHBondContact O-NE 2.86Å; V160-R350 VanDerWaalsContact CA-NH2 3.32Å; L161-R350 HydrophobicContact CD1-CB 3.67Å; L161-R350 HydrophobicContact CD1-CG 4.46Å; L161-R350 HydrophobicContact CG-CB 4.01Å; L161-R350 HydrophobicContact CG-CG 4.4Å; F347-R350 WeakPolarHBondContact O-CA 3.18Å; F347-R350 WeakPolarHBondContact O-CB 3.44Å; F347-R350 PolarHBondContact O-N 2.6Å; E348-R350 PolarHBondContact O-N 3.44Å; R350-M352 PolarHBondContact O-N 2.92Å; R350-D353 IonicContact CZ-OD1 3.84Å; R350-D353 IonicContact CZ-OD2 2.78Å; R350-D353 IonicContact NE-OD1 2.63Å; R350-D353 IonicContact NE-OD2 3.63Å; R350-D353 PolarHBondContact NE-OD2 3.34Å; R350-D353 IonicContact NH2-OD1 4Å; R350-D353 PolarHBondContact NH2-OD1 3.09Å; R350-D353 IonicContact NH2-OD2 3.92Å; R350-D353 PolarHBondContact NH2-OD2 3.34Å; R350-D353 WeakPolarHBondContact O-CB 3.32Å; R350-D353 PolarHBondContact O-N 2.82Å
351F89.6Confident90.2Very high4 Ų435.2 Ų35.22%0.01819%0.185CC..G310 helixtrans-55.5-29.6-17873.9-90.9000113F341 M343 E348 D353 M354 L355 M381 S384F341-F351 HydrophobicContact CE2-CB 4.43Å; F341-F351 HydrophobicContact CZ-CB 4.25Å; M343-F351 HydrophobicContact CE-CB 3.85Å; E348-F351 WeakPolarHBondContact O-CD1 3.36Å; E348-F351 PolarHBondContact O-N 2.63Å; F351-D353 PolarHBondContact O-N 3.32Å; F351-M354 WeakPolarHBondContact O-CB 3.49Å; F351-M354 PolarHBondContact O-N 3.42Å; F351-M354 VanDerWaalsContact O-N 3.13Å; F351-L355 HydrophobicContact CD2-CD1 4.4Å; F351-L355 HydrophobicContact CE2-CD1 4.34Å; F351-M381 HydrophobicContact CB-CB 4.21Å; F351-M381 HydrophobicContact CD1-CB 4.21Å; F351-M381 HydrophobicContact CD2-CB 3.56Å; F351-M381 HydrophobicContact CD2-CG 3.44Å; F351-M381 VanDerWaalsContact CD2-CG 3.44Å; F351-M381 HydrophobicContact CD2-SD 4.13Å; F351-M381 HydrophobicContact CE2-CB 3.96Å; F351-M381 HydrophobicContact CE2-CG 3.76Å; F351-M381 HydrophobicContact CG-CB 3.72Å; F351-M381 HydrophobicContact CG-CG 4.1Å; F351-M381 HydrophobicContact CZ-CB 4.45Å; F351-S384 WeakPolarHBondContact CZ-OG 3.26Å
352M88.9Confident90.3Very high48 Ų4833.3 Ų33.324%0.23618%0.177CC..G310 helixtrans-61.2-20.2176.8-74.5-67.5-107.200113.5R350 M354 L355 P356 F403R350-M352 PolarHBondContact O-N 2.92Å; M352-M354 PolarHBondContact O-N 2.8Å; M352-L355 HydrophobicContact SD-CD1 3.82Å; M352-P356 WeakPolarHBondContact O-CD 3.47Å; M352-F403 HydrophobicContact SD-CZ 4.46Å
353D90.1Very high90.4Very high32 Ų3237.4 Ų37.417%0.17120%0.204CC..G310 helixtrans-70.4-21.7177.1-64.5-12.2000112.3L161 S163 R350 F351L161-D353 HydrophobicContact CB-CB 4.24Å; L161-D353 PolarHBondContact N-OD2 3.16Å; S163-D353 PolarHBondContact OG-O 2.82Å; S163-D353 VanDerWaalsContact OG-O 3.05Å; R350-D353 IonicContact CZ-OD1 3.84Å; R350-D353 IonicContact CZ-OD2 2.78Å; R350-D353 IonicContact NE-OD1 2.63Å; R350-D353 IonicContact NE-OD2 3.63Å; R350-D353 PolarHBondContact NE-OD2 3.34Å; R350-D353 IonicContact NH2-OD1 4Å; R350-D353 PolarHBondContact NH2-OD1 3.09Å; R350-D353 IonicContact NH2-OD2 3.92Å; R350-D353 PolarHBondContact NH2-OD2 3.34Å; R350-D353 WeakPolarHBondContact O-CB 3.32Å; R350-D353 PolarHBondContact O-N 2.82Å; F351-D353 PolarHBondContact O-N 3.32Å
354M91.2Very high90.5Very high2 Ų240.8 Ų40.81%0.0122%0.222CC..THydrogen-bonded Turntrans-82.1-38.5-180-58-170.676.200112.8V208 V210 V220 F341 M343 F351 M352 L357 L358V208-M354 HydrophobicContact CG1-CE 4.28Å; V208-M354 WeakPolarHBondContact O-CE 3.42Å; V210-M354 HydrophobicContact CB-CG 4.21Å; V210-M354 HydrophobicContact CG1-CB 4.46Å; V210-M354 HydrophobicContact CG1-CE 4.42Å; V210-M354 HydrophobicContact CG1-CG 3.4Å; V210-M354 VanDerWaalsContact CG1-CG 3.4Å; V210-M354 HydrophobicContact CG1-SD 4.32Å; V210-M354 HydrophobicContact CG2-CE 3.88Å; V210-M354 HydrophobicContact CG2-CG 3.83Å; V210-M354 HydrophobicContact CG2-SD 3.62Å; V220-M354 HydrophobicContact CB-CE 3.92Å; V220-M354 HydrophobicContact CG2-CE 3.41Å; V220-M354 VanDerWaalsContact CG2-CE 3.41Å; V220-M354 HydrophobicContact CG2-SD 3.81Å; F341-M354 HydrophobicContact CE2-SD 4.39Å; M343-M354 HydrophobicContact SD-SD 4.08Å; F351-M354 WeakPolarHBondContact O-CB 3.49Å; F351-M354 PolarHBondContact O-N 3.42Å; F351-M354 VanDerWaalsContact O-N 3.13Å; M352-M354 PolarHBondContact O-N 2.8Å; M354-L357 PolarHBondContact O-N 3.08Å; M354-L358 PolarHBondContact O-N 2.68Å
355L92.5Very high90.7Very high1 Ų137.9 Ų37.91%0.00521%0.21CC..Hα-helixtrans-62.9-39.8-169.7-61.6-179.5000113.8F351 M352 L357 L358 F359 F403 L408F351-L355 HydrophobicContact CD2-CD1 4.4Å; F351-L355 HydrophobicContact CE2-CD1 4.34Å; M352-L355 HydrophobicContact SD-CD1 3.82Å; L355-L357 PolarHBondContact O-N 3.1Å; L355-L358 HydrophobicContact CD2-CD2 4.19Å; L355-L358 WeakPolarHBondContact O-CB 3.43Å; L355-L358 PolarHBondContact O-N 2.93Å; L355-F359 HydrophobicContact CB-CD2 4.49Å; L355-F359 WeakPolarHBondContact O-CD2 3.23Å; L355-F359 PolarHBondContact O-N 3.43Å; L355-F403 HydrophobicContact CD1-CD1 4.42Å; L355-F403 HydrophobicContact CD1-CE1 3.97Å; L355-F403 HydrophobicContact CD1-CE2 4.18Å; L355-F403 HydrophobicContact CD1-CZ 3.82Å; L355-L408 HydrophobicContact CB-CD2 3.66Å; L355-L408 HydrophobicContact CD1-CD2 4.45Å
356P93.5Very high91.1Very high65 Ų6537.8 Ų37.842%0.42220%0.201SC..Hα-helixtrans-57.3-46.4176.7-26.834.3000113.2M352 S360 L408M352-P356 WeakPolarHBondContact O-CD 3.47Å; P356-S360 WeakPolarHBondContact O-CB 3.31Å; P356-S360 PolarHBondContact O-N 3.25Å; P356-L408 HydrophobicContact CG-CD2 4.23Å
357L94.1Very high91.7Very high32 Ų3232.6 Ų32.617%0.16818%0.177CC..Hα-helixtrans-66.7-42.6177-175.469.3000110.4S163 R164 V208 M354 L355 F359 S360 Q361S163-L357 VanDerWaalsContact C-CD2 3.43Å; R164-L357 VanDerWaalsContact C-CD2 3.42Å; R164-L357 VanDerWaalsContact N-CD2 3.33Å; V208-L357 HydrophobicContact CG1-CD2 3.81Å; V208-L357 HydrophobicContact CG1-CG 4.44Å; V208-L357 HydrophobicContact CG2-CD2 4.15Å; V208-L357 HydrophobicContact CG2-CG 4.27Å; M354-L357 PolarHBondContact O-N 3.08Å; L355-L357 PolarHBondContact O-N 3.1Å; L357-F359 PolarHBondContact O-N 3.43Å; L357-S360 WeakPolarHBondContact O-CA 3.29Å; L357-S360 WeakPolarHBondContact O-CB 3.34Å; L357-S360 PolarHBondContact O-N 3.04Å; L357-S360 PolarHBondContact O-OG 2.95Å; L357-Q361 WeakPolarHBondContact O-CG 3.25Å; L357-Q361 PolarHBondContact O-N 2.9Å; L357-Q361 VanDerWaalsContact O-N 3.15Å
358L94.7Very high92Very high1 Ų131.3 Ų31.31%0.00517%0.171CC..Hα-helixtrans-56.8-49.2177.6-167.767000112.3V208 V220 A222 F336 I338 M354 L355 S360 Q361 F362V208-L358 HydrophobicContact CB-CD1 4.45Å; V208-L358 HydrophobicContact CG2-CD1 3.98Å; V220-L358 HydrophobicContact CG1-CD1 3.83Å; V220-L358 HydrophobicContact CG1-CD2 3.71Å; V220-L358 HydrophobicContact CG1-CG 4.42Å; A222-L358 HydrophobicContact CB-CD1 3.77Å; A222-L358 HydrophobicContact CB-CD2 4.49Å; A222-L358 HydrophobicContact CB-CG 4.4Å; F336-L358 HydrophobicContact CE2-CD2 3.72Å; F336-L358 HydrophobicContact CE2-CG 3.91Å; F336-L358 HydrophobicContact CZ-CD2 4.17Å; F336-L358 HydrophobicContact CZ-CG 4.13Å; I338-L358 HydrophobicContact CD1-CD2 4.3Å; I338-L358 HydrophobicContact CG1-CD2 4.24Å; M354-L358 PolarHBondContact O-N 2.68Å; L355-L358 HydrophobicContact CD2-CD2 4.19Å; L355-L358 WeakPolarHBondContact O-CB 3.43Å; L355-L358 PolarHBondContact O-N 2.93Å; L358-S360 VanDerWaalsContact C-N 3.28Å; L358-S360 PolarHBondContact O-N 3.47Å; L358-Q361 WeakPolarHBondContact O-CB 3.45Å; L358-Q361 PolarHBondContact O-N 3.29Å; L358-Q361 VanDerWaalsContact O-N 3.17Å; L358-F362 WeakPolarHBondContact O-CD2 3.43Å
359F95.5Very high92.5Very high0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-66.4-27.3175-86.7-80.6000112.8F336 L355 L357 Q361 F362 A368 F403 R405 L408F336-F359 AromaticContact CE1-CD1 3.57Å; F336-F359 HydrophobicContact CE1-CD1 3.57Å; F336-F359 AromaticContact CE1-CE1 3.52Å; F336-F359 HydrophobicContact CE1-CE1 3.52Å; F336-F359 HydrophobicContact CE1-CG 4.14Å; F336-F359 HydrophobicContact CE1-CZ 4.06Å; F336-F359 AromaticContact CZ-CD1 3.95Å; F336-F359 HydrophobicContact CZ-CD1 3.95Å; F336-F359 HydrophobicContact CZ-CD2 4.15Å; F336-F359 AromaticContact CZ-CE1 3.86Å; F336-F359 HydrophobicContact CZ-CE1 3.86Å; F336-F359 HydrophobicContact CZ-CE2 4.08Å; F336-F359 HydrophobicContact CZ-CG 4.11Å; F336-F359 AromaticContact CZ-CZ 3.94Å; F336-F359 HydrophobicContact CZ-CZ 3.94Å; L355-F359 HydrophobicContact CB-CD2 4.49Å; L355-F359 WeakPolarHBondContact O-CD2 3.23Å; L355-F359 PolarHBondContact O-N 3.43Å; L357-F359 PolarHBondContact O-N 3.43Å; F359-Q361 VanDerWaalsContact C-N 3.28Å; F359-Q361 PolarHBondContact O-N 3.2Å; F359-F362 CarbonylContact O-C 3.56Å; F359-F362 PolarHBondContact O-N 2.92Å; F359-F362 VanDerWaalsContact O-O 3.11Å; F359-A368 HydrophobicContact CE1-CB 4.46Å; F359-A368 HydrophobicContact CE2-CB 4.03Å; F359-A368 HydrophobicContact CZ-CB 3.64Å; F359-F403 AromaticContact CE2-CD1 3.64Å; F359-F403 HydrophobicContact CE2-CD1 3.64Å; F359-F403 AromaticContact CE2-CE1 3.78Å; F359-F403 HydrophobicContact CE2-CE1 3.78Å; F359-F403 AromaticContact CZ-CD1 3.84Å; F359-F403 HydrophobicContact CZ-CD1 3.84Å; F359-F403 HydrophobicContact CZ-CE1 4.3Å; F359-R405 HydrophobicContact CB-CG 4.39Å; F359-R405 HydrophobicContact CD1-CB 3.74Å; F359-R405 HydrophobicContact CD1-CG 3.69Å; F359-R405 HydrophobicContact CE1-CB 3.62Å; F359-R405 HydrophobicContact CE1-CG 4.12Å; F359-R405 HydrophobicContact CG-CB 4.44Å; F359-R405 HydrophobicContact CG-CG 4.06Å; F359-R405 HydrophobicContact CZ-CB 4.22Å; F359-R405 PolarHBondContact O-NH1 2.91Å; F359-R405 PolarHBondContact O-NH2 3.47Å; F359-L408 HydrophobicContact CB-CD1 4.05Å; F359-L408 HydrophobicContact CD2-CD1 3.61Å; F359-L408 HydrophobicContact CD2-CG 4.49Å; F359-L408 HydrophobicContact CE2-CD1 4.31Å; F359-L408 HydrophobicContact CG-CD1 4Å
360S94.2Very high93Very high55 Ų5528.7 Ų28.739%0.38516%0.158SC..Hα-helixtrans-67.2-29173.581.60000112.8P356 L357 L358 F362P356-S360 WeakPolarHBondContact O-CB 3.31Å; P356-S360 PolarHBondContact O-N 3.25Å; L357-S360 WeakPolarHBondContact O-CA 3.29Å; L357-S360 WeakPolarHBondContact O-CB 3.34Å; L357-S360 PolarHBondContact O-N 3.04Å; L357-S360 PolarHBondContact O-OG 2.95Å; L358-S360 VanDerWaalsContact C-N 3.28Å; L358-S360 PolarHBondContact O-N 3.47Å; S360-F362 VanDerWaalsContact C-N 3.26Å; S360-F362 PolarHBondContact O-N 2.91Å
361Q93.3Very high93.3Very high56 Ų5630.7 Ų30.726%0.26217%0.173SC..Hα-helixtrans-72.9-21.4174.7-58.8-56-54.200112.6K206 L357 L358 F359 P363K206-Q361 HydrophobicContact CB-CB 4.14Å; K206-Q361 HydrophobicContact CB-CG 4.43Å; K206-Q361 HydrophobicContact CD-CB 4.34Å; K206-Q361 HydrophobicContact CG-CB 3.91Å; L357-Q361 WeakPolarHBondContact O-CG 3.25Å; L357-Q361 PolarHBondContact O-N 2.9Å; L357-Q361 VanDerWaalsContact O-N 3.15Å; L358-Q361 WeakPolarHBondContact O-CB 3.45Å; L358-Q361 PolarHBondContact O-N 3.29Å; L358-Q361 VanDerWaalsContact O-N 3.17Å; F359-Q361 VanDerWaalsContact C-N 3.28Å; F359-Q361 PolarHBondContact O-N 3.2Å; Q361-P363 VanDerWaalsContact C-CD 3.47Å; Q361-P363 WeakPolarHBondContact O-CD 3.36Å
362F94.7Very high93.4Very high0 Ų030.9 Ų30.90%017%0.174CC..SBendtrans-122.367.5176.4-57.7-71000110.7K206 A222 R224 F336 L358 F359 S360 D364 L365 R405K206-F362 HydrophobicContact CB-CE2 3.89Å; K206-F362 HydrophobicContact CB-CZ 3.64Å; K206-F362 HydrophobicContact CG-CE1 3.87Å; K206-F362 HydrophobicContact CG-CE2 4.01Å; K206-F362 HydrophobicContact CG-CZ 3.43Å; K206-F362 VanDerWaalsContact CG-CZ 3.43Å; A222-F362 HydrophobicContact CB-CE2 3.82Å; A222-F362 HydrophobicContact CB-CZ 4.35Å; R224-F362 HydrophobicContact CG-CD1 3.78Å; R224-F362 HydrophobicContact CG-CE1 3.62Å; F336-F362 HydrophobicContact CB-CD2 4.33Å; F336-F362 HydrophobicContact CB-CG 4.39Å; F336-F362 HydrophobicContact CD1-CB 3.82Å; F336-F362 AromaticContact CD1-CD2 3.82Å; F336-F362 HydrophobicContact CD1-CD2 3.82Å; F336-F362 AromaticContact CD1-CG 3.94Å; F336-F362 HydrophobicContact CD1-CG 3.94Å; F336-F362 HydrophobicContact CD2-CD2 4.14Å; F336-F362 HydrophobicContact CD2-CE2 4.29Å; F336-F362 HydrophobicContact CE1-CB 4.13Å; F336-F362 HydrophobicContact CE1-CD2 4.08Å; F336-F362 HydrophobicContact CE1-CG 4.44Å; F336-F362 HydrophobicContact CE2-CD2 4.39Å; F336-F362 AromaticContact CG-CD2 3.83Å; F336-F362 HydrophobicContact CG-CD2 3.83Å; F336-F362 HydrophobicContact CG-CE2 4.25Å; F336-F362 HydrophobicContact CG-CG 4.19Å; F336-F362 HydrophobicContact CZ-CD2 4.35Å; L358-F362 WeakPolarHBondContact O-CD2 3.43Å; F359-F362 CarbonylContact O-C 3.56Å; F359-F362 PolarHBondContact O-N 2.92Å; F359-F362 VanDerWaalsContact O-O 3.11Å; S360-F362 VanDerWaalsContact C-N 3.26Å; S360-F362 PolarHBondContact O-N 2.91Å; F362-D364 PolarHBondContact O-N 2.96Å; F362-L365 HydrophobicContact CB-CB 4.27Å; F362-L365 HydrophobicContact CB-CD1 4.11Å; F362-L365 HydrophobicContact CB-CG 4.4Å; F362-L365 HydrophobicContact CD1-CD1 4.28Å; F362-L365 HydrophobicContact CG-CD1 4.4Å; F362-L365 PolarHBondContact O-N 3.3Å; F362-R405 PolarHBondContact O-NH1 3.18Å
363P91.9Very high93.6Very high93 Ų9331.6 Ų31.660%0.60418%0.182SC*.THydrogen-bonded Turntrans-67.2-22.6-171.528.7-35.9000113.4Q361Q361-P363 VanDerWaalsContact C-CD 3.47Å; Q361-P363 WeakPolarHBondContact O-CD 3.36Å
364D92.1Very high93.7Very high72 Ų7231.1 Ų31.139%0.38518%0.178SC..THydrogen-bonded Turntrans-85.9-7.9179.763.4-52.5000113.7R224 K245 F362R224-D364 IonicContact CZ-OD1 3.92Å; R224-D364 IonicContact NE-OD1 2.69Å; R224-D364 IonicContact NH2-OD1 2.87Å; R224-D364 PolarHBondContact NH2-OD1 3.04Å; R224-D364 IonicContact NH2-OD2 3.56Å; K245-D364 WeakPolarHBondContact CE-O 3.41Å; K245-D364 PolarHBondContact NZ-O 3Å; F362-D364 PolarHBondContact O-N 2.96Å
365L93.9Very high93.6Very high3 Ų336.3 Ų36.32%0.01621%0.205CC..  trans-111.3141.4-176.1-57.1176.4000111.3R224 L333 F336 F362R224-L365 HydrophobicContact CG-CD1 3.97Å; L333-L365 HydrophobicContact CG-CD2 4.36Å; L333-L365 WeakPolarHBondContact O-CD2 3.42Å; F336-L365 HydrophobicContact CB-CD1 3.86Å; F336-L365 HydrophobicContact CD1-CB 4.08Å; F336-L365 HydrophobicContact CD1-CD1 4.15Å; F362-L365 HydrophobicContact CB-CB 4.27Å; F362-L365 HydrophobicContact CB-CD1 4.11Å; F362-L365 HydrophobicContact CB-CG 4.4Å; F362-L365 HydrophobicContact CD1-CD1 4.28Å; F362-L365 HydrophobicContact CG-CD1 4.4Å; F362-L365 PolarHBondContact O-N 3.3Å
366E93.3Very high93.3Very high87 Ų8739.3 Ų39.341%0.40722%0.223SC..  trans-103-20.9-175.1-65.4175.3163.100112.9N334 R405N334-E366 PolarHBondContact ND2-OE2 2.69Å; N334-E366 PolarHBondContact O-N 2.9Å; N334-E366 VanDerWaalsContact O-N 3.12Å; N334-E366 PolarHBondContact OD1-N 2.92Å; E366-R405 VanDerWaalsContact O-CB 3.32Å; E366-R405 WeakPolarHBondContact O-CB 3.44Å; E366-R405 PolarHBondContact O-N 3.27Å
367Y95.2Very high92.9Very high15 Ų1542.8 Ų42.86%0.05923%0.232CC..EExtended strand (participates in β ladder)trans-117.9141.9-176-64.6-88.2000112.7F240 L243 N334 A335 F336 V402 F403 H404F240-Y367 HydrophobicContact CB-CE1 4.17Å; F240-Y367 AromaticContact CD1-CE1 3.66Å; F240-Y367 HydrophobicContact CD1-CE1 3.66Å; F240-Y367 HydrophobicContact CE1-CE1 4.46Å; F240-Y367 HydrophobicContact CG-CE1 4.23Å; L243-Y367 HydrophobicContact CD2-CD1 4.06Å; L243-Y367 HydrophobicContact CD2-CD2 4.27Å; L243-Y367 HydrophobicContact CD2-CG 3.89Å; N334-Y367 HydrophobicContact CB-CD2 4.36Å; N334-Y367 WeakPolarHBondContact O-CD2 3.29Å; N334-Y367 PolarHBondContact O-N 3.48Å; A335-Y367 CarbonylContact C-O 3.59Å; A335-Y367 WeakPolarHBondContact CA-O 3.28Å; F336-Y367 WeakPolarHBondContact CD1-O 3.44Å; F336-Y367 PolarHBondContact N-O 3.02Å; Y367-V402 HydrophobicContact CD1-CG1 3.56Å; Y367-V402 HydrophobicContact CE1-CG1 4.17Å; Y367-V402 HydrophobicContact CG-CG1 4.46Å; Y367-F403 CarbonylContact C-O 3.6Å; Y367-F403 WeakPolarHBondContact CA-O 3.25Å; Y367-H404 HydrophobicContact CD1-CB 4.25Å; Y367-H404 AromaticContact CD1-CD2 3.9Å; Y367-H404 HydrophobicContact CE1-CB 4.18Å; Y367-H404 AromaticContact CE1-CD2 3.35Å; Y367-H404 WeakPolarHBondContact CE1-CD2 3.25Å; Y367-H404 AromaticContact CZ-CD2 3.42Å; Y367-H404 VanDerWaalsContact CZ-CD2 3.42Å
368A95.4Very high92.5Very high0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-108.4133.7163.300000108.4F336 I338 F359 F385 F403F336-A368 HydrophobicContact CD2-CB 4.25Å; F336-A368 HydrophobicContact CE1-CB 4.2Å; F336-A368 HydrophobicContact CE2-CB 3.52Å; F336-A368 HydrophobicContact CZ-CB 3.51Å; F336-A368 CarbonylContact O-C 3.52Å; F336-A368 WeakPolarHBondContact O-CA 3.44Å; I338-A368 HydrophobicContact CD1-CB 4.36Å; F359-A368 HydrophobicContact CE1-CB 4.46Å; F359-A368 HydrophobicContact CE2-CB 4.03Å; F359-A368 HydrophobicContact CZ-CB 3.64Å; A368-F385 HydrophobicContact CB-CE1 4.5Å; A368-F403 HydrophobicContact CB-CB 4.43Å; A368-F403 PolarHBondContact N-O 2.9Å; A368-F403 PolarHBondContact O-N 3.41Å
369V95.8Very high92.1Very high3 Ų343.5 Ų43.52%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-121.9145.2176.8-55.50000111.1L226 L243 A335 F336 A337 I338 L400 Y401 V402L226-V369 HydrophobicContact CD1-CG2 4Å; L226-V369 HydrophobicContact CD2-CG2 3.7Å; L243-V369 HydrophobicContact CD1-CG1 3.78Å; L243-V369 HydrophobicContact CD2-CG1 4.36Å; A335-V369 HydrophobicContact CB-CG1 4.2Å; F336-V369 PolarHBondContact O-N 3.38Å; A337-V369 CarbonylContact C-O 3.46Å; A337-V369 WeakPolarHBondContact CA-O 3.49Å; A337-V369 HydrophobicContact CB-CG2 4.08Å; I338-V369 PolarHBondContact N-O 2.84Å; V369-L400 HydrophobicContact CB-CD1 4.15Å; V369-Y401 VanDerWaalsContact CA-O 3.31Å; V369-Y401 WeakPolarHBondContact CA-O 3.46Å; V369-V402 HydrophobicContact CG1-CG2 3.91Å
370I95.1Very high91.6Very high12 Ų1245.6 Ų45.66%0.06225%0.248CC..EExtended strand (participates in β ladder)trans-136.5133.7174.5-172171.6000109.1I338 V372 F379 M381 L382 F385 Y401I338-I370 HydrophobicContact CB-CB 4.19Å; I338-I370 HydrophobicContact CB-CD1 4.32Å; I338-I370 HydrophobicContact CB-CG1 4.29Å; I338-I370 HydrophobicContact CG2-CD1 4Å; I338-I370 HydrophobicContact CG2-CG1 4.43Å; I370-V372 HydrophobicContact CD1-CG1 4.31Å; I370-V372 HydrophobicContact CG1-CG1 4.15Å; I370-F379 HydrophobicContact CD1-CZ 4.22Å; I370-M381 HydrophobicContact CD1-CE 3.93Å; I370-L382 HydrophobicContact CG2-CD2 3.63Å; I370-F385 HydrophobicContact CG2-CD1 3.85Å; I370-F385 HydrophobicContact CG2-CE1 3.86Å; I370-Y401 PolarHBondContact N-O 3.15Å; I370-Y401 PolarHBondContact O-N 2.9Å
371T93.8Very high91.3Very high64 Ų6443.1 Ų43.139%0.39323%0.23SC..EExtended strand (participates in β ladder)trans-103.6129.5172.255.20000109.5E399 L400T371-E399 CarbonylContact C-O 3.59Å; T371-E399 WeakPolarHBondContact CA-O 3.35Å; T371-L400 HydrophobicContact CG2-CD1 3.92Å
372V92.7Very high91.2Very high7 Ų740.6 Ų40.64%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-124.4141.6179.1-61.10000111I370 F379 L382 H398 E399 Y401I370-V372 HydrophobicContact CD1-CG1 4.31Å; I370-V372 HydrophobicContact CG1-CG1 4.15Å; V372-F379 HydrophobicContact CG1-CE1 4.34Å; V372-L382 HydrophobicContact CG1-CD1 4.08Å; V372-L382 HydrophobicContact CG1-CD2 4.21Å; V372-L382 HydrophobicContact CG2-CD1 4.16Å; V372-H398 CarbonylContact O-C 3.49Å; V372-H398 WeakPolarHBondContact O-CA 3.41Å; V372-E399 HydrophobicContact CG2-CB 4.01Å; V372-E399 PolarHBondContact N-O 3.06Å; V372-E399 PolarHBondContact O-N 2.71Å; V372-Y401 HydrophobicContact CG2-CD2 3.87Å; V372-Y401 HydrophobicContact CG2-CE2 3.48Å; V372-Y401 VanDerWaalsContact CG2-CE2 3.48Å
373P92.3Very high90.7Very high64 Ų6443.5 Ų43.542%0.41623%0.231SC..EExtended strand (participates in β ladder)trans-60145.4173.2-20.430.6000112.4L375 V376P373-L375 VanDerWaalsContact C-N 3.26Å; P373-L375 PolarHBondContact O-N 3.12Å; P373-L375 VanDerWaalsContact O-N 3.16Å; P373-V376 HydrophobicContact CB-CG2 3.97Å; P373-V376 HydrophobicContact CG-CG2 4.05Å; P373-V376 WeakPolarHBondContact O-CB 3.26Å; P373-V376 PolarHBondContact O-N 2.84Å; P373-V376 VanDerWaalsContact O-N 3.09Å
374R91.9Very high90.4Very high22 Ų2239.3 Ų39.38%0.08320%0.204CC..THydrogen-bonded Turntrans-59.1-30.3-172.2-61.7-167.7-57.1-131.20.3115.1E399 N615 A616 R617 S715 D717R374-E399 HydrophobicContact CG-CG 4.25Å; R374-N615 CarbonylContact O-C 3.58Å; R374-N615 VanDerWaalsContact O-C 3.31Å; R374-N615 WeakPolarHBondContact O-CB 3.32Å; R374-A616 PolarHBondContact O-N 3.11Å; R374-R617 VanDerWaalsContact NH1-NH1 3.16Å; R374-S715 PolarHBondContact NH1-OG 2.98Å; R374-S715 PolarHBondContact NH2-OG 2.66Å; R374-D717 WeakPolarHBondContact CB-OD2 3.47Å; R374-D717 IonicContact CZ-OD1 3.53Å; R374-D717 IonicContact CZ-OD2 3.38Å; R374-D717 IonicContact NE-OD1 2.68Å; R374-D717 PolarHBondContact NE-OD1 3.34Å; R374-D717 IonicContact NE-OD2 3.1Å; R374-D717 PolarHBondContact NE-OD2 3.18Å; R374-D717 IonicContact NH2-OD1 3.6Å; R374-D717 PolarHBondContact NH2-OD1 2.84Å; R374-D717 IonicContact NH2-OD2 2.75Å
375L89.1Confident90.4Very high110 Ų11036.4 Ų36.458%0.57619%0.188SC*.THydrogen-bonded Turntrans-90.9-1.9-178-65.1178.1000113.8P373 A616 D717 Y718P373-L375 VanDerWaalsContact C-N 3.26Å; P373-L375 PolarHBondContact O-N 3.12Å; P373-L375 VanDerWaalsContact O-N 3.16Å; L375-A616 HydrophobicContact CD2-CB 3.97Å; L375-D717 HydrophobicContact CD2-CB 4.02Å; L375-Y718 HydrophobicContact CD2-CE2 4.46Å
376V86.8Confident90.3Very high64 Ų6437.7 Ų37.739%0.38820%0.196SC..SBendtrans-75.4131.8176.9172.70000109.7P373P373-V376 HydrophobicContact CB-CG2 3.97Å; P373-V376 HydrophobicContact CG-CG2 4.05Å; P373-V376 WeakPolarHBondContact O-CB 3.26Å; P373-V376 PolarHBondContact O-N 2.84Å; P373-V376 VanDerWaalsContact O-N 3.09Å
377K83.9Confident90.2Very high138 Ų13835.1 Ų35.160%0.618%0.184SC*.  trans-61.8136.8176.7-174.1174.1-179.3174.70110.6F379K377-F379 PolarHBondContact O-N 2.88Å
378C85.7Confident90.1Very high5 Ų534.6 Ų34.63%0.03418%0.182CC..  trans-67.8105.3178.8-171.20000111.1I613C378-I613 HydrophobicContact CB-CB 4.2Å
379F86.6Confident89.6Confident43 Ų4342.1 Ų42.119%0.18921%0.21CC..  trans-83.1161.3178.455.9-92.7000112.1F341 I370 V372 K377 M381 L382F341-F379 HydrophobicContact CD1-CD2 4.01Å; F341-F379 AromaticContact CD1-CE2 3.38Å; F341-F379 HydrophobicContact CD1-CE2 3.38Å; F341-F379 AromaticContact CD1-CZ 3.84Å; F341-F379 HydrophobicContact CD1-CZ 3.84Å; F341-F379 AromaticContact CE1-CD2 3.61Å; F341-F379 HydrophobicContact CE1-CD2 3.61Å; F341-F379 AromaticContact CE1-CE2 3.42Å; F341-F379 HydrophobicContact CE1-CE2 3.42Å; F341-F379 VanDerWaalsContact CE1-CE2 3.42Å; F341-F379 HydrophobicContact CE1-CZ 4.3Å; F341-F379 HydrophobicContact CG-CE2 4.38Å; F341-F379 HydrophobicContact CZ-CE2 4.44Å; I370-F379 HydrophobicContact CD1-CZ 4.22Å; V372-F379 HydrophobicContact CG1-CE1 4.34Å; K377-F379 PolarHBondContact O-N 2.88Å; F379-M381 VanDerWaalsContact C-N 3.32Å; F379-M381 HydrophobicContact CD2-CB 3.94Å; F379-M381 HydrophobicContact CE2-CB 3.84Å; F379-M381 HydrophobicContact CE2-CE 3.77Å; F379-M381 HydrophobicContact CZ-CE 4.31Å; F379-M381 PolarHBondContact O-N 2.86Å; F379-M381 VanDerWaalsContact O-N 3.12Å; F379-L382 HydrophobicContact CD1-CD1 3.76Å; F379-L382 HydrophobicContact CD1-CG 4.09Å; F379-L382 HydrophobicContact CD2-CG 4.09Å; F379-L382 HydrophobicContact CE1-CD1 3.45Å; F379-L382 VanDerWaalsContact CE1-CD1 3.45Å; F379-L382 HydrophobicContact CE1-CD2 4.34Å; F379-L382 HydrophobicContact CE1-CG 3.72Å; F379-L382 HydrophobicContact CE2-CD1 4.38Å; F379-L382 HydrophobicContact CE2-CD2 4.21Å; F379-L382 HydrophobicContact CE2-CG 3.71Å; F379-L382 HydrophobicContact CG-CD1 4.35Å; F379-L382 HydrophobicContact CG-CG 4.28Å; F379-L382 HydrophobicContact CZ-CD1 3.8Å; F379-L382 HydrophobicContact CZ-CD2 3.83Å; F379-L382 HydrophobicContact CZ-CG 3.51Å; F379-L382 PolarHBondContact O-N 2.88Å
380P85.1Confident89.2Confident44 Ų4443.2 Ų43.229%0.28622%0.216SC..Hα-helixtrans-53.1-38.5-168.1-32.339.3000116E348 L382 K383E348-P380 HydrophobicContact CB-CG 4.18Å; E348-P380 WeakPolarHBondContact OE2-CD 3.27Å; E348-P380 WeakPolarHBondContact OE2-CG 3.36Å; P380-L382 VanDerWaalsContact C-N 3.35Å; P380-L382 PolarHBondContact O-N 3.32Å; P380-K383 WeakPolarHBondContact O-CB 3.3Å; P380-K383 PolarHBondContact O-N 2.96Å
381M89.6Confident88.7Confident4 Ų444.3 Ų44.32%0.0222%0.22CC..Hα-helixtrans-59.5-42.9177.6178.9174.980.400112.3I338 F341 F351 I370 F379 K383 S384 F385I338-M381 HydrophobicContact CD1-CE 4.39Å; F341-M381 HydrophobicContact CB-CE 4.04Å; F341-M381 HydrophobicContact CD1-CE 3.86Å; F341-M381 HydrophobicContact CD2-CE 3.69Å; F341-M381 HydrophobicContact CD2-SD 3.88Å; F341-M381 HydrophobicContact CE1-CB 4.43Å; F341-M381 HydrophobicContact CE1-CE 4.23Å; F341-M381 HydrophobicContact CE2-CE 4.07Å; F341-M381 HydrophobicContact CE2-SD 3.74Å; F341-M381 HydrophobicContact CG-CE 3.57Å; F341-M381 HydrophobicContact CG-SD 4.34Å; F341-M381 HydrophobicContact CZ-CB 4.22Å; F341-M381 HydrophobicContact CZ-CE 4.32Å; F341-M381 HydrophobicContact CZ-SD 4.11Å; F351-M381 HydrophobicContact CB-CB 4.21Å; F351-M381 HydrophobicContact CD1-CB 4.21Å; F351-M381 HydrophobicContact CD2-CB 3.56Å; F351-M381 HydrophobicContact CD2-CG 3.44Å; F351-M381 VanDerWaalsContact CD2-CG 3.44Å; F351-M381 HydrophobicContact CD2-SD 4.13Å; F351-M381 HydrophobicContact CE2-CB 3.96Å; F351-M381 HydrophobicContact CE2-CG 3.76Å; F351-M381 HydrophobicContact CG-CB 3.72Å; F351-M381 HydrophobicContact CG-CG 4.1Å; F351-M381 HydrophobicContact CZ-CB 4.45Å; I370-M381 HydrophobicContact CD1-CE 3.93Å; F379-M381 VanDerWaalsContact C-N 3.32Å; F379-M381 HydrophobicContact CD2-CB 3.94Å; F379-M381 HydrophobicContact CE2-CB 3.84Å; F379-M381 HydrophobicContact CE2-CE 3.77Å; F379-M381 HydrophobicContact CZ-CE 4.31Å; F379-M381 PolarHBondContact O-N 2.86Å; F379-M381 VanDerWaalsContact O-N 3.12Å; M381-K383 PolarHBondContact O-N 3.42Å; M381-S384 PolarHBondContact O-N 3.48Å; M381-F385 HydrophobicContact CG-CD2 4.16Å; M381-F385 HydrophobicContact CG-CE2 3.62Å; M381-F385 HydrophobicContact CG-CZ 4.41Å; M381-F385 VanDerWaalsContact O-CD2 3.29Å; M381-F385 WeakPolarHBondContact O-CD2 3.3Å; M381-F385 HydrophobicContact SD-CE2 4.18Å; M381-F385 HydrophobicContact SD-CZ 4.44Å
382L89.9Confident87.7Confident2 Ų244.9 Ų44.91%0.0122%0.219CC..Hα-helixtrans-63-26.4-179.5-65.9-179.6000112.9I370 V372 F379 P380 S384 F385 Y401I370-L382 HydrophobicContact CG2-CD2 3.63Å; V372-L382 HydrophobicContact CG1-CD1 4.08Å; V372-L382 HydrophobicContact CG1-CD2 4.21Å; V372-L382 HydrophobicContact CG2-CD1 4.16Å; F379-L382 HydrophobicContact CD1-CD1 3.76Å; F379-L382 HydrophobicContact CD1-CG 4.09Å; F379-L382 HydrophobicContact CD2-CG 4.09Å; F379-L382 HydrophobicContact CE1-CD1 3.45Å; F379-L382 VanDerWaalsContact CE1-CD1 3.45Å; F379-L382 HydrophobicContact CE1-CD2 4.34Å; F379-L382 HydrophobicContact CE1-CG 3.72Å; F379-L382 HydrophobicContact CE2-CD1 4.38Å; F379-L382 HydrophobicContact CE2-CD2 4.21Å; F379-L382 HydrophobicContact CE2-CG 3.71Å; F379-L382 HydrophobicContact CG-CD1 4.35Å; F379-L382 HydrophobicContact CG-CG 4.28Å; F379-L382 HydrophobicContact CZ-CD1 3.8Å; F379-L382 HydrophobicContact CZ-CD2 3.83Å; F379-L382 HydrophobicContact CZ-CG 3.51Å; F379-L382 PolarHBondContact O-N 2.88Å; P380-L382 VanDerWaalsContact C-N 3.35Å; P380-L382 PolarHBondContact O-N 3.32Å; L382-S384 PolarHBondContact O-N 3.41Å; L382-F385 PolarHBondContact O-N 2.81Å; L382-Y401 HydrophobicContact CB-CD1 4.35Å; L382-Y401 HydrophobicContact CB-CE1 4.18Å; L382-Y401 HydrophobicContact CD1-CE2 4.3Å; L382-Y401 HydrophobicContact CD2-CD1 4.23Å; L382-Y401 HydrophobicContact CD2-CD2 4.03Å; L382-Y401 HydrophobicContact CD2-CE2 4.45Å; L382-Y401 HydrophobicContact CD2-CG 3.9Å
383K84.5Confident86.9Confident61 Ų6149.2 Ų49.227%0.26524%0.241SC..Hα-helixtrans-64.8-23.9177-62-177.7177.1178.70112.5P380 M381 P610P380-K383 WeakPolarHBondContact O-CB 3.3Å; P380-K383 PolarHBondContact O-N 2.96Å; M381-K383 PolarHBondContact O-N 3.42Å; K383-P610 HydrophobicContact CD-CB 4.38Å
384S86.7Confident86.6Confident5 Ų550.6 Ų50.64%0.03524%0.241CC..THydrogen-bonded Turntrans-89.4-10.3174.1-61.60000113.5F351 M381 L382 S519F351-S384 WeakPolarHBondContact CZ-OG 3.26Å; M381-S384 PolarHBondContact O-N 3.48Å; L382-S384 PolarHBondContact O-N 3.41Å; S384-S519 WeakPolarHBondContact O-CB 3.41Å
385F92.1Very high86.4Confident12 Ų1251.3 Ų51.35%0.05325%0.246CC..SBendtrans-90.7151.7175.5-76.9-128.3000109.9I338 A368 I370 M381 L382 H387 Y401 F403I338-F385 HydrophobicContact CD1-CE1 4.31Å; I338-F385 HydrophobicContact CD1-CZ 3.98Å; A368-F385 HydrophobicContact CB-CE1 4.5Å; I370-F385 HydrophobicContact CG2-CD1 3.85Å; I370-F385 HydrophobicContact CG2-CE1 3.86Å; M381-F385 HydrophobicContact CG-CD2 4.16Å; M381-F385 HydrophobicContact CG-CE2 3.62Å; M381-F385 HydrophobicContact CG-CZ 4.41Å; M381-F385 VanDerWaalsContact O-CD2 3.29Å; M381-F385 WeakPolarHBondContact O-CD2 3.3Å; M381-F385 HydrophobicContact SD-CE2 4.18Å; M381-F385 HydrophobicContact SD-CZ 4.44Å; L382-F385 PolarHBondContact O-N 2.81Å; F385-H387 PolarHBondContact O-N 3.11Å; F385-Y401 HydrophobicContact CB-CD1 3.95Å; F385-Y401 HydrophobicContact CB-CG 4.33Å; F385-F403 HydrophobicContact CD1-CB 3.51Å; F385-F403 HydrophobicContact CD2-CB 3.83Å; F385-F403 AromaticContact CD2-CD2 3.85Å; F385-F403 HydrophobicContact CD2-CD2 3.85Å; F385-F403 HydrophobicContact CD2-CG 4.2Å; F385-F403 HydrophobicContact CE1-CB 3.35Å; F385-F403 HydrophobicContact CE1-CG 4.38Å; F385-F403 HydrophobicContact CE2-CB 3.68Å; F385-F403 AromaticContact CE2-CD2 3.83Å; F385-F403 HydrophobicContact CE2-CD2 3.83Å; F385-F403 AromaticContact CE2-CG 3.91Å; F385-F403 HydrophobicContact CE2-CG 3.91Å; F385-F403 HydrophobicContact CG-CB 3.75Å; F385-F403 HydrophobicContact CG-CD2 4.43Å; F385-F403 HydrophobicContact CZ-CB 3.44Å; F385-F403 VanDerWaalsContact CZ-CB 3.44Å; F385-F403 HydrophobicContact CZ-CD2 4.4Å; F385-F403 HydrophobicContact CZ-CG 4.01Å
386V91.1Very high86.4Confident29 Ų2946.6 Ų46.618%0.17622%0.222CC..EExtended strand (participates in β ladder)trans-82.8117.5172.6-173.40000108.6F240 C388 Y401 V402 Q518F240-V386 HydrophobicContact CZ-CB 4.07Å; F240-V386 HydrophobicContact CZ-CG1 3.92Å; V386-C388 PolarHBondContact O-N 2.96Å; V386-Y401 CarbonylContact O-C 3.3Å; V386-Y401 WeakPolarHBondContact O-CA 3.25Å; V386-V402 PolarHBondContact N-O 2.96Å; V386-V402 PolarHBondContact O-N 3.24Å; V386-Q518 HydrophobicContact CG1-CG 4.2Å; V386-Q518 HydrophobicContact CG2-CB 3.81Å; V386-Q518 HydrophobicContact CG2-CG 3.87Å
387H91.5Very high86.5Confident34 Ų3449.6 Ų49.616%0.15723%0.232CC..EExtended strand (participates in β ladder)trans-68.8125.6170.6175.7-103.8000109.9F385 E399 Y401F385-H387 PolarHBondContact O-N 3.11Å; H387-E399 IonicContact CD2-OE2 2.74Å; H387-E399 IonicContact CE1-OE2 3.58Å; H387-E399 IonicContact NE2-OE2 3.58Å; H387-E399 PolarHBondContact NE2-OE2 2.65Å; H387-Y401 HydrophobicContact CB-CD1 4.09Å; H387-Y401 HydrophobicContact CB-CE1 3.74Å; H387-Y401 AromaticContact CD2-CE2 3.98Å; H387-Y401 AromaticContact CD2-CZ 3.71Å
388C91.7Very high86.8Confident3 Ų346.8 Ų46.82%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-92.7132.3-179.4-61.50000110.4L237 V386 L400 V402L237-C388 HydrophobicContact CD2-CB 4.37Å; V386-C388 PolarHBondContact O-N 2.96Å; C388-L400 HydrophobicContact CB-CB 4.16Å; C388-L400 HydrophobicContact CB-CD2 4.14Å; C388-L400 HydrophobicContact CB-CG 4.2Å; C388-L400 PolarHBondContact N-O 2.79Å; C388-V402 WeakPolarHBondContact SG-CG2 3.42Å
389R86.7Confident87.2Confident158 Ų15846.5 Ų46.560%0.59622%0.219SC*.PPolyproline II helixtrans-69.7144.8178.1-70.2-178.5172.8-175.7-6.4110.8Y235 D236Y235-R389 WeakPolarHBondContact CA-O 3.19Å; D236-R389 HydrophobicContact CB-CB 4.41Å; D236-R389 PolarHBondContact N-O 3.49Å
390I87.2Confident87.6Confident26 Ų2644.5 Ų44.513%0.13321%0.21CC..BIsolated β-bridgetrans-75.5135.2171.3-59.3171000108.2Y235 K394 P396Y235-I390 HydrophobicContact CD1-CG1 4.18Å; Y235-I390 HydrophobicContact CE1-CG1 4.1Å; I390-K394 HydrophobicContact CG2-CB 4.08Å; I390-P396 HydrophobicContact CB-CG 4.34Å; I390-P396 HydrophobicContact CD1-CG 3.64Å; I390-P396 HydrophobicContact CG1-CG 3.7Å; I390-P396 VanDerWaalsContact CG2-CD 3.46Å; I390-P396 HydrophobicContact CG2-CG 3.71Å
391K83.3Confident88.1Confident36 Ų3642.5 Ų42.516%0.15720%0.197CC..PPolyproline II helixtrans-64.1150.2174.7-81.1179.6172.5175.50110.9N232 H234 Y235 D236 N393 K394N232-K391 PolarHBondContact O-NZ 3.31Å; H234-K391 PolarHBondContact O-N 2.69Å; Y235-K391 WeakPolarHBondContact O-CD 3.49Å; Y235-K391 WeakPolarHBondContact O-CE 3.46Å; D236-K391 HydrophobicContact CB-CG 4.42Å; K391-N393 PolarHBondContact O-N 2.72Å; K391-K394 HydrophobicContact CB-CG 3.84Å; K391-K394 WeakPolarHBondContact O-CB 3.47Å; K391-K394 PolarHBondContact O-N 2.71Å
392Q73.6Confident88.3Confident76 Ų7642.4 Ų42.436%0.35520%0.197SC..THydrogen-bonded Turntrans-54.4140.1176-71.6-179.1-3.700111.2D316 K394D316-Q392 PolarHBondContact OD1-NE2 2.99Å; Q392-K394 PolarHBondContact O-N 3.07Å
393N76.3Confident88.5Confident97 Ų9742.5 Ų42.552%0.51920%0.197SC..THydrogen-bonded Turntrans61.518.6180-57.1-32000116.2K391 Q712K391-N393 PolarHBondContact O-N 2.72Å; N393-Q712 VanDerWaalsContact CG-NE2 3.31Å; N393-Q712 PolarHBondContact OD1-NE2 3.38Å; N393-Q712 PolarHBondContact OD1-OE1 2.69Å
394K85.4Confident89Confident93 Ų9340.3 Ų40.340%0.40419%0.188SC..  trans-105.3152.2173.9-57.9-60.3178-178.90111.7S233 I390 K391 Q392S233-K394 WeakPolarHBondContact O-CD 3.27Å; S233-K394 WeakPolarHBondContact O-CE 3.33Å; S233-K394 WeakPolarHBondContact O-CG 3.49Å; I390-K394 HydrophobicContact CG2-CB 4.08Å; K391-K394 HydrophobicContact CB-CG 3.84Å; K391-K394 WeakPolarHBondContact O-CB 3.47Å; K391-K394 PolarHBondContact O-N 2.71Å; Q392-K394 PolarHBondContact O-N 3.07Å
395D88.4Confident89.3Confident38 Ų3843.6 Ų43.620%0.20320%0.199CC..  trans-131.267.4-175.1-176.319.7000111.6R617 S715D395-R617 IonicContact OD1-CZ 2.76Å; D395-R617 IonicContact OD1-NH1 2.71Å; D395-R617 PolarHBondContact OD1-NH1 3.23Å; D395-R617 IonicContact OD1-NH2 2.66Å; D395-S715 VanDerWaalsContact CG-N 3.33Å; D395-S715 WeakPolarHBondContact OD1-CB 3.22Å; D395-S715 PolarHBondContact OD1-N 3.43Å; D395-S715 PolarHBondContact OD1-OG 3.3Å; D395-S715 PolarHBondContact OD2-N 3.36Å; D395-S715 PolarHBondContact OD2-OG 2.96Å
396P89.6Confident89.2Confident10 Ų1044 Ų447%0.06520%0.204CC..  trans-72.2145.8172.330.3-32.5000111.1H234 Y235 I390 R617H234-P396 HydrophobicContact CB-CB 4.47Å; Y235-P396 HydrophobicContact CE1-CB 4.15Å; Y235-P396 HydrophobicContact CE1-CG 3.88Å; Y235-P396 HydrophobicContact CE2-CB 4.39Å; Y235-P396 VanDerWaalsContact OH-CB 3.32Å; Y235-P396 WeakPolarHBondContact OH-CB 3.47Å; I390-P396 HydrophobicContact CB-CG 4.34Å; I390-P396 HydrophobicContact CD1-CG 3.64Å; I390-P396 HydrophobicContact CG1-CG 3.7Å; I390-P396 VanDerWaalsContact CG2-CD 3.46Å; I390-P396 HydrophobicContact CG2-CG 3.71Å; P396-R617 PolarHBondContact O-NH2 3.04Å; P396-R617 VanDerWaalsContact O-NH2 3.09Å
397E86.9Confident89Confident128 Ų12842.9 Ų42.960%0.59820%0.197SC*.SBendtrans-80.7-19.8177.2-63.8-175.6166.100113R705E397-R705 IonicContact OE1-NH2 3.32Å
398H92.1Very high88.8Confident78 Ų7843.3 Ų43.336%0.36120%0.2SC..EExtended strand (participates in β ladder)trans-120.5159-179-59.2149.6000111.4Y235 V372Y235-H398 PolarHBondContact OH-O 3.42Å; V372-H398 CarbonylContact O-C 3.49Å; V372-H398 WeakPolarHBondContact O-CA 3.41Å
399E93.3Very high88.4Confident0 Ų047.3 Ų47.30%022%0.218CC..EExtended strand (participates in β ladder)trans-89.9144.6167.1-63.9-53.3127.300110.5T371 V372 R374 H387 Y401 N615 N644T371-E399 CarbonylContact C-O 3.59Å; T371-E399 WeakPolarHBondContact CA-O 3.35Å; V372-E399 HydrophobicContact CG2-CB 4.01Å; V372-E399 PolarHBondContact N-O 3.06Å; V372-E399 PolarHBondContact O-N 2.71Å; R374-E399 HydrophobicContact CG-CG 4.25Å; H387-E399 IonicContact CD2-OE2 2.74Å; H387-E399 IonicContact CE1-OE2 3.58Å; H387-E399 IonicContact NE2-OE2 3.58Å; H387-E399 PolarHBondContact NE2-OE2 2.65Å; E399-Y401 HydrophobicContact CB-CD2 4.39Å; E399-Y401 HydrophobicContact CB-CE2 3.82Å; E399-N615 HydrophobicContact CG-CB 3.76Å; E399-N644 PolarHBondContact OE1-ND2 3.35Å
400L95Very high88.1Confident0 Ų050 Ų500%023%0.228CC..EExtended strand (participates in β ladder)trans-108.3130.9179.618066.4000111L231 Y235 L237 V369 T371 C388 V402L231-L400 HydrophobicContact CD2-CD1 4.32Å; L231-L400 HydrophobicContact CD2-CD2 4.25Å; Y235-L400 HydrophobicContact CD1-CB 3.73Å; Y235-L400 HydrophobicContact CD1-CD2 4.28Å; Y235-L400 HydrophobicContact CD2-CB 4.1Å; Y235-L400 HydrophobicContact CD2-CD2 3.6Å; Y235-L400 HydrophobicContact CD2-CG 4.47Å; Y235-L400 HydrophobicContact CE1-CB 3.61Å; Y235-L400 HydrophobicContact CE2-CB 3.98Å; Y235-L400 HydrophobicContact CE2-CD2 4.14Å; Y235-L400 HydrophobicContact CG-CB 3.97Å; Y235-L400 HydrophobicContact CG-CD2 3.67Å; Y235-L400 HydrophobicContact CG-CG 4.49Å; L237-L400 HydrophobicContact CD1-CD2 4.3Å; L237-L400 HydrophobicContact CD2-CD2 3.81Å; L237-L400 HydrophobicContact CG-CD2 4.45Å; V369-L400 HydrophobicContact CB-CD1 4.15Å; T371-L400 HydrophobicContact CG2-CD1 3.92Å; C388-L400 HydrophobicContact CB-CB 4.16Å; C388-L400 HydrophobicContact CB-CD2 4.14Å; C388-L400 HydrophobicContact CB-CG 4.2Å; C388-L400 PolarHBondContact N-O 2.79Å; L400-V402 HydrophobicContact CG-CG2 4.43Å
401Y94.8Very high88.1Confident3 Ų352.7 Ų52.71%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-123.9136.2176.6-73.3-95.3000109.9V369 I370 V372 L382 F385 V386 H387 E399 N615V369-Y401 VanDerWaalsContact CA-O 3.31Å; V369-Y401 WeakPolarHBondContact CA-O 3.46Å; I370-Y401 PolarHBondContact N-O 3.15Å; I370-Y401 PolarHBondContact O-N 2.9Å; V372-Y401 HydrophobicContact CG2-CD2 3.87Å; V372-Y401 HydrophobicContact CG2-CE2 3.48Å; V372-Y401 VanDerWaalsContact CG2-CE2 3.48Å; L382-Y401 HydrophobicContact CB-CD1 4.35Å; L382-Y401 HydrophobicContact CB-CE1 4.18Å; L382-Y401 HydrophobicContact CD1-CE2 4.3Å; L382-Y401 HydrophobicContact CD2-CD1 4.23Å; L382-Y401 HydrophobicContact CD2-CD2 4.03Å; L382-Y401 HydrophobicContact CD2-CE2 4.45Å; L382-Y401 HydrophobicContact CD2-CG 3.9Å; F385-Y401 HydrophobicContact CB-CD1 3.95Å; F385-Y401 HydrophobicContact CB-CG 4.33Å; V386-Y401 CarbonylContact O-C 3.3Å; V386-Y401 WeakPolarHBondContact O-CA 3.25Å; H387-Y401 HydrophobicContact CB-CD1 4.09Å; H387-Y401 HydrophobicContact CB-CE1 3.74Å; H387-Y401 AromaticContact CD2-CE2 3.98Å; H387-Y401 AromaticContact CD2-CZ 3.71Å; E399-Y401 HydrophobicContact CB-CD2 4.39Å; E399-Y401 HydrophobicContact CB-CE2 3.82Å; Y401-N615 PolarHBondContact OH-ND2 3.45Å; Y401-N615 PolarHBondContact OH-OD1 2.92Å
402V94.8Very high88.4Confident2 Ų251.4 Ų51.41%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-123.6135-176.7176.70000110L237 F240 L243 Y367 V369 V386 C388 L400L237-V402 HydrophobicContact CD2-CG2 4.4Å; F240-V402 HydrophobicContact CD1-CG1 4.26Å; F240-V402 HydrophobicContact CD2-CG1 4.44Å; F240-V402 HydrophobicContact CD2-CG2 4.45Å; F240-V402 HydrophobicContact CE1-CG1 4.17Å; F240-V402 HydrophobicContact CE2-CB 4.23Å; F240-V402 HydrophobicContact CE2-CG1 4.36Å; F240-V402 HydrophobicContact CE2-CG2 4.29Å; F240-V402 HydrophobicContact CG-CG1 4.37Å; F240-V402 HydrophobicContact CZ-CB 4.22Å; F240-V402 HydrophobicContact CZ-CG1 4.22Å; L243-V402 HydrophobicContact CD2-CG1 4.09Å; L243-V402 HydrophobicContact CD2-CG2 4.38Å; Y367-V402 HydrophobicContact CD1-CG1 3.56Å; Y367-V402 HydrophobicContact CE1-CG1 4.17Å; Y367-V402 HydrophobicContact CG-CG1 4.46Å; V369-V402 HydrophobicContact CG1-CG2 3.91Å; V386-V402 PolarHBondContact N-O 2.96Å; V386-V402 PolarHBondContact O-N 3.24Å; C388-V402 WeakPolarHBondContact SG-CG2 3.42Å; L400-V402 HydrophobicContact CG-CG2 4.43Å
403F94.3Very high89.3Confident3 Ų351.1 Ų51.11%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-126.4136173.7-177.5-87000109.9M352 L355 F359 Y367 A368 F385 E407 L408M352-F403 HydrophobicContact SD-CZ 4.46Å; L355-F403 HydrophobicContact CD1-CD1 4.42Å; L355-F403 HydrophobicContact CD1-CE1 3.97Å; L355-F403 HydrophobicContact CD1-CE2 4.18Å; L355-F403 HydrophobicContact CD1-CZ 3.82Å; F359-F403 AromaticContact CE2-CD1 3.64Å; F359-F403 HydrophobicContact CE2-CD1 3.64Å; F359-F403 AromaticContact CE2-CE1 3.78Å; F359-F403 HydrophobicContact CE2-CE1 3.78Å; F359-F403 AromaticContact CZ-CD1 3.84Å; F359-F403 HydrophobicContact CZ-CD1 3.84Å; F359-F403 HydrophobicContact CZ-CE1 4.3Å; Y367-F403 CarbonylContact C-O 3.6Å; Y367-F403 WeakPolarHBondContact CA-O 3.25Å; A368-F403 HydrophobicContact CB-CB 4.43Å; A368-F403 PolarHBondContact N-O 2.9Å; A368-F403 PolarHBondContact O-N 3.41Å; F385-F403 HydrophobicContact CD1-CB 3.51Å; F385-F403 HydrophobicContact CD2-CB 3.83Å; F385-F403 AromaticContact CD2-CD2 3.85Å; F385-F403 HydrophobicContact CD2-CD2 3.85Å; F385-F403 HydrophobicContact CD2-CG 4.2Å; F385-F403 HydrophobicContact CE1-CB 3.35Å; F385-F403 HydrophobicContact CE1-CG 4.38Å; F385-F403 HydrophobicContact CE2-CB 3.68Å; F385-F403 AromaticContact CE2-CD2 3.83Å; F385-F403 HydrophobicContact CE2-CD2 3.83Å; F385-F403 AromaticContact CE2-CG 3.91Å; F385-F403 HydrophobicContact CE2-CG 3.91Å; F385-F403 HydrophobicContact CG-CB 3.75Å; F385-F403 HydrophobicContact CG-CD2 4.43Å; F385-F403 HydrophobicContact CZ-CB 3.44Å; F385-F403 VanDerWaalsContact CZ-CB 3.44Å; F385-F403 HydrophobicContact CZ-CD2 4.4Å; F385-F403 HydrophobicContact CZ-CG 4.01Å; F403-E407 HydrophobicContact CD2-CB 4.49Å; F403-E407 HydrophobicContact CE1-CB 3.99Å; F403-E407 HydrophobicContact CE2-CB 3.72Å; F403-E407 HydrophobicContact CE2-CG 4.38Å; F403-E407 HydrophobicContact CZ-CB 3.44Å; F403-E407 VanDerWaalsContact CZ-CB 3.44Å; F403-E407 HydrophobicContact CZ-CG 4.44Å; F403-L408 HydrophobicContact CE1-CD2 3.95Å; F403-L408 HydrophobicContact CE1-CG 4.11Å; F403-L408 HydrophobicContact CZ-CD2 3.99Å; F403-L408 HydrophobicContact CZ-CG 4.44Å
404H94.2Very high90.2Very high16 Ų1647 Ų477%0.07422%0.219CC..EExtended strand (participates in β ladder)trans-100.9140.5-179-172.5-74.4000111Y367 C406 E407 N516Y367-H404 HydrophobicContact CD1-CB 4.25Å; Y367-H404 AromaticContact CD1-CD2 3.9Å; Y367-H404 HydrophobicContact CE1-CB 4.18Å; Y367-H404 AromaticContact CE1-CD2 3.35Å; Y367-H404 WeakPolarHBondContact CE1-CD2 3.25Å; Y367-H404 AromaticContact CZ-CD2 3.42Å; Y367-H404 VanDerWaalsContact CZ-CD2 3.42Å; H404-C406 VanDerWaalsContact C-N 3.28Å; H404-C406 PolarHBondContact CE1-SG 2.79Å; H404-C406 VanDerWaalsContact ND1-CB 3.28Å; H404-C406 WeakPolarHBondContact ND1-CB 3.49Å; H404-C406 PolarHBondContact ND1-N 3.41Å; H404-C406 PolarHBondContact O-N 2.78Å; H404-E407 HydrophobicContact CB-CG 4.34Å; H404-E407 WeakPolarHBondContact O-CB 3.42Å; H404-E407 WeakPolarHBondContact O-CG 3.24Å; H404-E407 PolarHBondContact O-N 2.84Å; H404-N516 HydrophobicContact CB-CB 4.28Å; H404-N516 VanDerWaalsContact CD2-CB 3.41Å; H404-N516 WeakPolarHBondContact CD2-CB 3.44Å
405R93Very high90.6Very high73 Ų7344.8 Ų44.828%0.27521%0.208SC..G310 helixtrans-53.5-40.4-179.9-171.6-177.1-171.2108.28.6113.6F359 F362 E366 E407 L408F359-R405 HydrophobicContact CB-CG 4.39Å; F359-R405 HydrophobicContact CD1-CB 3.74Å; F359-R405 HydrophobicContact CD1-CG 3.69Å; F359-R405 HydrophobicContact CE1-CB 3.62Å; F359-R405 HydrophobicContact CE1-CG 4.12Å; F359-R405 HydrophobicContact CG-CB 4.44Å; F359-R405 HydrophobicContact CG-CG 4.06Å; F359-R405 HydrophobicContact CZ-CB 4.22Å; F359-R405 PolarHBondContact O-NH1 2.91Å; F359-R405 PolarHBondContact O-NH2 3.47Å; F362-R405 PolarHBondContact O-NH1 3.18Å; E366-R405 VanDerWaalsContact O-CB 3.32Å; E366-R405 WeakPolarHBondContact O-CB 3.44Å; E366-R405 PolarHBondContact O-N 3.27Å; R405-E407 PolarHBondContact O-N 3.33Å; R405-L408 HydrophobicContact CG-CD1 4.41Å; R405-L408 VanDerWaalsContact O-CB 3.31Å; R405-L408 WeakPolarHBondContact O-CB 3.5Å; R405-L408 WeakPolarHBondContact O-CG 3.46Å; R405-L408 PolarHBondContact O-N 2.98Å
406C90.1Very high90.9Very high22 Ų2249.2 Ų49.215%0.14922%0.222CC..G310 helixtrans-54-25.1177.3-72.10000114H404 L408 H409 F517H404-C406 VanDerWaalsContact C-N 3.28Å; H404-C406 PolarHBondContact CE1-SG 2.79Å; H404-C406 VanDerWaalsContact ND1-CB 3.28Å; H404-C406 WeakPolarHBondContact ND1-CB 3.49Å; H404-C406 PolarHBondContact ND1-N 3.41Å; H404-C406 PolarHBondContact O-N 2.78Å; C406-L408 PolarHBondContact O-N 2.82Å; C406-H409 WeakPolarHBondContact O-CB 3.45Å; C406-H409 PolarHBondContact O-CD2 3.19Å; C406-H409 PolarHBondContact O-N 3.3Å; C406-F517 HydrophobicContact CB-CE1 3.93Å; C406-F517 HydrophobicContact CB-CE2 4.34Å; C406-F517 HydrophobicContact CB-CZ 3.73Å
407E86.7Confident91.2Very high5 Ų549.3 Ų49.32%0.02322%0.222CC..G310 helixtrans-67.5-15.5178.5-62.2-71.2-157.400113.2F403 H404 R405 H409 F517 Q518 S519 R520F403-E407 HydrophobicContact CD2-CB 4.49Å; F403-E407 HydrophobicContact CE1-CB 3.99Å; F403-E407 HydrophobicContact CE2-CB 3.72Å; F403-E407 HydrophobicContact CE2-CG 4.38Å; F403-E407 HydrophobicContact CZ-CB 3.44Å; F403-E407 VanDerWaalsContact CZ-CB 3.44Å; F403-E407 HydrophobicContact CZ-CG 4.44Å; H404-E407 HydrophobicContact CB-CG 4.34Å; H404-E407 WeakPolarHBondContact O-CB 3.42Å; H404-E407 WeakPolarHBondContact O-CG 3.24Å; H404-E407 PolarHBondContact O-N 2.84Å; R405-E407 PolarHBondContact O-N 3.33Å; E407-H409 VanDerWaalsContact C-N 3.28Å; E407-F517 WeakPolarHBondContact OE1-CA 3.45Å; E407-Q518 PolarHBondContact OE1-N 2.87Å; E407-S519 WeakPolarHBondContact OE1-CB 3.39Å; E407-S519 PolarHBondContact OE1-N 3.19Å; E407-S519 PolarHBondContact OE1-OG 2.87Å; E407-S519 PolarHBondContact OE2-OG 2.78Å; E407-R520 PolarHBondContact O-NH2 3.2Å; E407-R520 WeakPolarHBondContact OE2-CG 3.49Å; E407-R520 IonicContact OE2-NE 3.47Å; E407-R520 PolarHBondContact OE2-NE 2.84Å
408L87.6Confident91.5Very high43 Ų4350.5 Ų50.523%0.22522%0.222CC..G310 helixtrans-73.7-19.8172.2-59.1175.9000112.9L355 P356 F359 F403 R405 C406L355-L408 HydrophobicContact CB-CD2 3.66Å; L355-L408 HydrophobicContact CD1-CD2 4.45Å; P356-L408 HydrophobicContact CG-CD2 4.23Å; F359-L408 HydrophobicContact CB-CD1 4.05Å; F359-L408 HydrophobicContact CD2-CD1 3.61Å; F359-L408 HydrophobicContact CD2-CG 4.49Å; F359-L408 HydrophobicContact CE2-CD1 4.31Å; F359-L408 HydrophobicContact CG-CD1 4Å; F403-L408 HydrophobicContact CE1-CD2 3.95Å; F403-L408 HydrophobicContact CE1-CG 4.11Å; F403-L408 HydrophobicContact CZ-CD2 3.99Å; F403-L408 HydrophobicContact CZ-CG 4.44Å; R405-L408 HydrophobicContact CG-CD1 4.41Å; R405-L408 VanDerWaalsContact O-CB 3.31Å; R405-L408 WeakPolarHBondContact O-CB 3.5Å; R405-L408 WeakPolarHBondContact O-CG 3.46Å; R405-L408 PolarHBondContact O-N 2.98Å; C406-L408 PolarHBondContact O-N 2.82Å
409H84Confident91.5Very high87 Ų8753.1 Ų53.140%0.40323%0.234SC..  trans-73.2139.1177.3-63.2-66.3000110.6C406 E407 L467C406-H409 WeakPolarHBondContact O-CB 3.45Å; C406-H409 PolarHBondContact O-CD2 3.19Å; C406-H409 PolarHBondContact O-N 3.3Å; E407-H409 VanDerWaalsContact C-N 3.28Å; H409-L467 HydrophobicContact CB-CD2 4.31Å
410R80Confident91.5Very high213 Ų21357.2 Ų57.280%0.80427%0.267SS*.  trans-87.9-10.7177.7-61.2-178.5-178.6178.10.2112.9F412R410-F412 VanDerWaalsContact C-N 3.33Å; R410-F412 PolarHBondContact O-N 3.41Å
411D85.9Confident91.5Very high83 Ų8357.8 Ų57.844%0.44427%0.27SS..  trans-81.879.6-178.5-169.825.7000109.7A466 L467D411-A466 WeakPolarHBondContact O-CA 3.18Å; D411-A466 VanDerWaalsContact O-CB 3.23Å; D411-A466 WeakPolarHBondContact O-CB 3.44Å; D411-L467 PolarHBondContact OD2-N 3.23Å
412F91.1Very high91.5Very high10 Ų1059.1 Ų59.14%0.04428%0.277CS..EExtended strand (participates in β ladder)trans-132.4109.9171.9-174-85000108.1R410 V414 A464 I465 A466 V471 L513 F517 R520 L523 F524R410-F412 VanDerWaalsContact C-N 3.33Å; R410-F412 PolarHBondContact O-N 3.41Å; F412-V414 HydrophobicContact CD1-CG2 4.4Å; F412-V414 HydrophobicContact CE1-CG2 3.77Å; F412-A464 HydrophobicContact CE1-CB 4.3Å; F412-A464 HydrophobicContact CE2-CB 3.96Å; F412-A464 HydrophobicContact CZ-CB 3.59Å; F412-I465 WeakPolarHBondContact CA-O 3.35Å; F412-A466 HydrophobicContact CD2-CB 4.24Å; F412-V471 HydrophobicContact CE2-CG2 4.22Å; F412-L513 HydrophobicContact CE2-CD1 4.33Å; F412-L513 HydrophobicContact CZ-CD1 4.43Å; F412-F517 HydrophobicContact CD2-CD1 4.07Å; F412-F517 HydrophobicContact CE2-CB 4.32Å; F412-F517 HydrophobicContact CE2-CD1 4.38Å; F412-R520 HydrophobicContact CD1-CB 4.48Å; F412-R520 HydrophobicContact CD2-CB 4.13Å; F412-R520 HydrophobicContact CD2-CG 4.06Å; F412-R520 HydrophobicContact CE1-CB 4.15Å; F412-R520 HydrophobicContact CE2-CB 3.78Å; F412-R520 HydrophobicContact CE2-CG 4.19Å; F412-R520 HydrophobicContact CG-CB 4.45Å; F412-R520 HydrophobicContact CG-CG 4.36Å; F412-R520 HydrophobicContact CZ-CB 3.78Å; F412-L523 HydrophobicContact CD1-CD2 3.54Å; F412-L523 HydrophobicContact CD1-CG 4.41Å; F412-L523 HydrophobicContact CE1-CD2 4.04Å; F412-L523 HydrophobicContact CG-CD2 4.34Å; F412-F524 HydrophobicContact CE1-CB 4.26Å; F412-F524 HydrophobicContact CZ-CB 4.13Å; F412-F524 HydrophobicContact CZ-CG 4.5Å
413T91.7Very high91.5Very high69 Ų6964.9 Ų64.942%0.42330%0.303SS..EExtended strand (participates in β ladder)trans-122.8147.7-177.560.40000110A464 I465T413-A464 CarbonylContact O-C 3.56Å; T413-A464 WeakPolarHBondContact O-CA 3.14Å; T413-I465 PolarHBondContact N-O 3.07Å; T413-I465 PolarHBondContact O-N 3.22Å; T413-I465 PolarHBondContact OG1-O 3.42Å
414V94.6Very high91.6Very high12 Ų1268.6 Ų68.67%0.07332%0.324CS..EExtended strand (participates in β ladder)trans-119137.1177.5176.10000107.6F412 V463 F524 E527 Q531F412-V414 HydrophobicContact CD1-CG2 4.4Å; F412-V414 HydrophobicContact CE1-CG2 3.77Å; V414-V463 WeakPolarHBondContact CA-O 3.35Å; V414-F524 HydrophobicContact CB-CD2 4.28Å; V414-F524 HydrophobicContact CG1-CD2 3.71Å; V414-F524 HydrophobicContact CG1-CE2 3.67Å; V414-F524 HydrophobicContact CG2-CD2 3.52Å; V414-F524 HydrophobicContact CG2-CE2 4.12Å; V414-F524 HydrophobicContact CG2-CG 4.32Å; V414-E527 HydrophobicContact CB-CB 3.66Å; V414-E527 HydrophobicContact CB-CG 4.17Å; V414-E527 HydrophobicContact CG1-CB 3.87Å; V414-E527 HydrophobicContact CG2-CB 3.83Å; V414-E527 HydrophobicContact CG2-CG 4.16Å; V414-Q531 PolarHBondContact O-NE2 3.48Å
415R93.9Very high91.6Very high46 Ų4667.9 Ų67.917%0.17432%0.32CS..EExtended strand (participates in β ladder)trans-149.7164.4174.361.2168.1-179.873.3-0.6111.4D421 Y462 V463 I465R415-D421 IonicContact CZ-OD1 3.34Å; R415-D421 IonicContact CZ-OD2 3.72Å; R415-D421 IonicContact NH1-OD1 2.86Å; R415-D421 IonicContact NH1-OD2 3.66Å; R415-D421 PolarHBondContact NH1-OD2 2.87Å; R415-D421 IonicContact NH2-OD1 3.23Å; R415-D421 PolarHBondContact NH2-OD1 2.9Å; R415-D421 IonicContact NH2-OD2 3.94Å; R415-D421 PolarHBondContact NH2-OD2 2.88Å; R415-Y462 CarbonylContact O-C 3.54Å; R415-Y462 WeakPolarHBondContact O-CA 3.39Å; R415-V463 HydrophobicContact CG-CG2 3.89Å; R415-V463 PolarHBondContact N-O 2.97Å; R415-V463 PolarHBondContact O-N 2.81Å; R415-I465 HydrophobicContact CG-CD1 4.18Å
416R95.1Very high91.8Very high131 Ų13167.9 Ų67.949%0.49432%0.322SS..EExtended strand (participates in β ladder)trans-58.9141.5169.4-165.7172.9-178166.51.4110.9F447 S461 Y462R416-F447 HydrophobicContact CG-CZ 4.32Å; R416-S461 WeakPolarHBondContact CG-O 3.44Å; R416-Y462 HydrophobicContact CB-CD1 4.44Å; R416-Y462 HydrophobicContact CB-CE1 4.32Å
417T96.2Very high91.9Very high11 Ų1171.4 Ų71.47%0.06734%0.339CS..  trans-63.2136.4176.5-52.20000111D421 I425 F447 S461 Y462 V463T417-D421 HydrophobicContact CG2-CB 4.23Å; T417-I425 HydrophobicContact CG2-CD1 3.58Å; T417-F447 HydrophobicContact CG2-CE1 4.26Å; T417-S461 WeakPolarHBondContact CB-OG 3.24Å; T417-S461 PolarHBondContact N-O 3.45Å; T417-S461 VanDerWaalsContact OG1-CB 3.31Å; T417-S461 WeakPolarHBondContact OG1-CB 3.25Å; T417-S461 PolarHBondContact OG1-O 2.97Å; T417-S461 PolarHBondContact OG1-OG 2.65Å; T417-Y462 PolarHBondContact OG1-N 2.66Å; T417-V463 HydrophobicContact CG2-CG1 4.13Å; T417-V463 WeakPolarHBondContact OG1-CG1 3.44Å
418R93.9Very high92.2Very high154 Ų15473.3 Ų73.358%0.58135%0.349SS*.  trans-108.4157.7175.4-63.3169.4-175.3174.10.2109.1A420 D421R418-A420 PolarHBondContact O-N 2.81Å; R418-D421 WeakPolarHBondContact CB-OD2 3.37Å; R418-D421 PolarHBondContact N-OD2 2.66Å; R418-D421 WeakPolarHBondContact O-CB 3.5Å; R418-D421 PolarHBondContact O-N 2.78Å
419H91.4Very high92.4Very high133 Ų13371.3 Ų71.362%0.61634%0.339SS*.G310 helixtrans-57.2-33.2175.5-169.2-51.3000112.7D421 E422H419-D421 PolarHBondContact O-N 2.78Å; H419-E422 IonicContact CE1-OE2 3.72Å; H419-E422 WeakPolarHBondContact O-CB 3.3Å; H419-E422 PolarHBondContact O-N 2.97Å
420A93Very high92.8Very high86 Ų8674 Ų7471%0.71135%0.345SS*.G310 helixtrans-66.8-17.4177.700000114R418 E422R418-A420 PolarHBondContact O-N 2.81Å; A420-E422 VanDerWaalsContact C-N 3.3Å
421D95.3Very high93Very high11 Ų1170.6 Ų70.66%0.05934%0.343CS..G310 helixtrans-82.3-9.1-178.1-55.5-35.4000112.5R415 T417 R418 H419 E423 D424 I425 L470R415-D421 IonicContact CZ-OD1 3.34Å; R415-D421 IonicContact CZ-OD2 3.72Å; R415-D421 IonicContact NH1-OD1 2.86Å; R415-D421 IonicContact NH1-OD2 3.66Å; R415-D421 PolarHBondContact NH1-OD2 2.87Å; R415-D421 IonicContact NH2-OD1 3.23Å; R415-D421 PolarHBondContact NH2-OD1 2.9Å; R415-D421 IonicContact NH2-OD2 3.94Å; R415-D421 PolarHBondContact NH2-OD2 2.88Å; T417-D421 HydrophobicContact CG2-CB 4.23Å; R418-D421 WeakPolarHBondContact CB-OD2 3.37Å; R418-D421 PolarHBondContact N-OD2 2.66Å; R418-D421 WeakPolarHBondContact O-CB 3.5Å; R418-D421 PolarHBondContact O-N 2.78Å; H419-D421 PolarHBondContact O-N 2.78Å; D421-E423 VanDerWaalsContact C-N 3.35Å; D421-E423 PolarHBondContact O-N 3.31Å; D421-D424 PolarHBondContact O-N 2.86Å; D421-I425 HydrophobicContact CB-CD1 4.08Å; D421-I425 HydrophobicContact CB-CG1 4.48Å; D421-I425 VanDerWaalsContact O-CG1 3.29Å; D421-I425 WeakPolarHBondContact O-CG1 3.33Å; D421-I425 PolarHBondContact O-N 3.24Å; D421-L470 HydrophobicContact CB-CD1 3.88Å
422E94.8Very high93.1Very high32 Ų3268.6 Ų68.615%0.1533%0.332CS..Hα-helixtrans-56.3-45.2-171.3-172.1-173157.100112.8H419 A420 I425 K426 I448H419-E422 IonicContact CE1-OE2 3.72Å; H419-E422 WeakPolarHBondContact O-CB 3.3Å; H419-E422 PolarHBondContact O-N 2.97Å; A420-E422 VanDerWaalsContact C-N 3.3Å; E422-I425 PolarHBondContact O-N 3.44Å; E422-K426 WeakPolarHBondContact O-CG 3.42Å; E422-K426 PolarHBondContact O-N 3.12Å; E422-K426 WeakPolarHBondContact OE1-CE 3.29Å; E422-K426 IonicContact OE1-NZ 3.93Å; E422-K426 PolarHBondContact OE1-NZ 3.29Å; E422-I448 HydrophobicContact CB-CD1 4.2Å; E422-I448 HydrophobicContact CG-CD1 3.92Å
423E94.8Very high92.9Very high122 Ų12271.3 Ų71.357%0.5735%0.347SS*.Hα-helixtrans-68.2-38.6-179.6-64.5-55.6121.300112.1D421 I425 K426 L427D421-E423 VanDerWaalsContact C-N 3.35Å; D421-E423 PolarHBondContact O-N 3.31Å; E423-I425 VanDerWaalsContact C-N 3.34Å; E423-K426 PolarHBondContact O-N 3.33Å; E423-K426 IonicContact OE1-NZ 2.75Å; E423-K426 PolarHBondContact OE1-NZ 3.05Å; E423-L427 WeakPolarHBondContact O-CB 3.32Å; E423-L427 PolarHBondContact O-N 2.89Å
424D95.8Very high92.8Very high82 Ų8271.2 Ų71.244%0.43935%0.353SS..Hα-helixtrans-66.8-37175.1-72.2-24.6000111.4D421 L427 L428 L470D421-D424 PolarHBondContact O-N 2.86Å; D424-L427 WeakPolarHBondContact O-CB 3.32Å; D424-L427 PolarHBondContact O-N 3.41Å; D424-L428 WeakPolarHBondContact O-CB 3.4Å; D424-L428 PolarHBondContact O-N 2.87Å; D424-L470 HydrophobicContact CB-CB 4.01Å; D424-L470 HydrophobicContact CB-CD1 4.05Å
425I95.6Very high92.4Very high0 Ų074 Ų740%036%0.364CS..Hα-helixtrans-67-45.9174.8-67.2166.7000110.4T417 D421 E422 E423 L427 L428 V429 F440 L444 V463 L470 V473T417-I425 HydrophobicContact CG2-CD1 3.58Å; D421-I425 HydrophobicContact CB-CD1 4.08Å; D421-I425 HydrophobicContact CB-CG1 4.48Å; D421-I425 VanDerWaalsContact O-CG1 3.29Å; D421-I425 WeakPolarHBondContact O-CG1 3.33Å; D421-I425 PolarHBondContact O-N 3.24Å; E422-I425 PolarHBondContact O-N 3.44Å; E423-I425 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 3.02Å; I425-L428 WeakPolarHBondContact O-CB 3.18Å; I425-L428 PolarHBondContact O-N 3.19Å; I425-V429 WeakPolarHBondContact O-CG2 3.49Å; I425-V429 PolarHBondContact O-N 3.2Å; I425-F440 HydrophobicContact CG2-CE1 3.6Å; I425-F440 HydrophobicContact CG2-CZ 4.04Å; I425-L444 HydrophobicContact CB-CD2 4.29Å; I425-L444 HydrophobicContact CD1-CD1 4.04Å; I425-L444 HydrophobicContact CD1-CD2 4.49Å; I425-L444 HydrophobicContact CG2-CD2 3.71Å; I425-V463 HydrophobicContact CD1-CG1 4.01Å; I425-V463 HydrophobicContact CG1-CG1 4.37Å; I425-L470 HydrophobicContact CD1-CD1 4.36Å; I425-L470 HydrophobicContact CG1-CD1 3.66Å; I425-L470 HydrophobicContact CG1-CD2 4.25Å; I425-V473 HydrophobicContact CD1-CG2 4.15Å; I425-V473 HydrophobicContact CG1-CG2 4.31Å; I425-V473 HydrophobicContact CG2-CG1 4.48Å; I425-V473 HydrophobicContact CG2-CG2 4.33Å
426K95.4Very high92.3Very high73 Ų7372.2 Ų72.232%0.31736%0.358SS..Hα-helixtrans-56.4-41.1174.7-76.3173.1-173.3160.80111.3E422 E423 V429 R430 L441E422-K426 WeakPolarHBondContact O-CG 3.42Å; E422-K426 PolarHBondContact O-N 3.12Å; E422-K426 WeakPolarHBondContact OE1-CE 3.29Å; E422-K426 IonicContact OE1-NZ 3.93Å; E422-K426 PolarHBondContact OE1-NZ 3.29Å; E423-K426 PolarHBondContact O-N 3.33Å; E423-K426 IonicContact OE1-NZ 2.75Å; E423-K426 PolarHBondContact OE1-NZ 3.05Å; K426-V429 PolarHBondContact O-N 3.1Å; K426-R430 PolarHBondContact O-N 2.7Å; K426-R430 VanDerWaalsContact O-N 3.15Å; K426-L441 HydrophobicContact CG-CD2 3.98Å
427L93.9Very high92.1Very high97 Ų9770.6 Ų70.651%0.50835%0.352SS..Hα-helixtrans-64-41.9175.1-173.172.3000111.9E423 D424 I425 R430E423-L427 WeakPolarHBondContact O-CB 3.32Å; E423-L427 PolarHBondContact O-N 2.89Å; D424-L427 WeakPolarHBondContact O-CB 3.32Å; D424-L427 PolarHBondContact O-N 3.41Å; I425-L427 PolarHBondContact O-N 3.02Å; L427-R430 VanDerWaalsContact O-CD 3.28Å; L427-R430 WeakPolarHBondContact O-CD 3.3Å; L427-R430 WeakPolarHBondContact O-CG 3.35Å; L427-R430 PolarHBondContact O-N 3.03Å
428L92.3Very high91.9Very high44 Ų4473.9 Ų73.923%0.2338%0.376CS..Hα-helixtrans-64.4-39.9178.8-174.666.9000112.2D424 I425 L470 V473 L512D424-L428 WeakPolarHBondContact O-CB 3.4Å; D424-L428 PolarHBondContact O-N 2.87Å; I425-L428 WeakPolarHBondContact O-CB 3.18Å; I425-L428 PolarHBondContact O-N 3.19Å; L428-L470 HydrophobicContact CB-CD2 4.47Å; L428-L470 HydrophobicContact CD2-CD2 3.69Å; L428-V473 HydrophobicContact CD2-CB 4.49Å; L428-V473 HydrophobicContact CD2-CG1 3.92Å; L428-L512 HydrophobicContact CD2-CD2 4.2Å; L428-L512 HydrophobicContact CD2-CG 4.44Å; L428-L512 HydrophobicContact CG-CD2 3.88Å; L428-L512 HydrophobicContact CG-CG 4.47Å
429V92.4Very high91.8Very high1 Ų168.2 Ų68.21%0.00636%0.356CS..THydrogen-bonded Turntrans-89.51.8-177.9-55.70000114.2I425 K426 N431 M432 R437 F440 L441 L512I425-V429 WeakPolarHBondContact O-CG2 3.49Å; I425-V429 PolarHBondContact O-N 3.2Å; K426-V429 PolarHBondContact O-N 3.1Å; V429-N431 PolarHBondContact O-N 3.31Å; V429-N431 VanDerWaalsContact O-N 3.12Å; V429-M432 WeakPolarHBondContact O-CB 3.48Å; V429-M432 PolarHBondContact O-N 3.47Å; V429-R437 HydrophobicContact CG2-CG 4.2Å; V429-R437 WeakPolarHBondContact O-CD 3.38Å; V429-F440 HydrophobicContact CG1-CD1 3.93Å; V429-F440 HydrophobicContact CG1-CD2 4.39Å; V429-F440 HydrophobicContact CG1-CE1 3.75Å; V429-F440 HydrophobicContact CG1-CE2 4.2Å; V429-F440 HydrophobicContact CG1-CG 4.29Å; V429-F440 HydrophobicContact CG1-CZ 3.91Å; V429-F440 HydrophobicContact CG2-CD1 4.41Å; V429-L441 HydrophobicContact CG2-CD2 4.23Å; V429-L512 HydrophobicContact CG1-CD2 3.82Å
430R91.1Very high91.9Very high143 Ų14361.9 Ų61.954%0.5433%0.327SS..THydrogen-bonded Turntrans-56.3-34.6-172.274.1-172.3175.3173.1-2.9114.3K426 L427 R437K426-R430 PolarHBondContact O-N 2.7Å; K426-R430 VanDerWaalsContact O-N 3.15Å; L427-R430 VanDerWaalsContact O-CD 3.28Å; L427-R430 WeakPolarHBondContact O-CD 3.3Å; L427-R430 WeakPolarHBondContact O-CG 3.35Å; L427-R430 PolarHBondContact O-N 3.03Å; R430-R437 PolarHBondContact O-NH1 3.31Å
431N85Confident92Very high143 Ų14360.6 Ų60.677%0.76531%0.308SS*.THydrogen-bonded Turntrans-90.70.5-178.1-69.2-12.3000113.2V429V429-N431 PolarHBondContact O-N 3.31Å; V429-N431 VanDerWaalsContact O-N 3.12Å
432M87.9Confident91.8Very high40 Ų4062.9 Ų62.920%0.19733%0.325CS..SBendtrans-67.5149.3174-164.9178.4-153.300109.8V429 A434 D436 R437 F440 T555V429-M432 WeakPolarHBondContact O-CB 3.48Å; V429-M432 PolarHBondContact O-N 3.47Å; M432-A434 PolarHBondContact O-N 2.85Å; M432-D436 HydrophobicContact CE-CB 3.57Å; M432-D436 HydrophobicContact CG-CB 3.88Å; M432-D436 HydrophobicContact SD-CB 3.79Å; M432-R437 HydrophobicContact CB-CB 4.15Å; M432-F440 HydrophobicContact SD-CB 4.41Å; M432-T555 HydrophobicContact CE-CG2 3.98Å
433N87.2Confident91.8Very high67 Ų6761.4 Ų61.436%0.35832%0.318SS..  trans-51.5140.5173.6177.1-79.2000110.4F435 D436 R437N433-F435 VanDerWaalsContact C-N 3.27Å; N433-F435 PolarHBondContact O-N 3.43Å; N433-F435 WeakPolarHBondContact OD1-CB 3.5Å; N433-F435 PolarHBondContact OD1-N 2.88Å; N433-D436 PolarHBondContact O-N 2.61Å; N433-R437 VanDerWaalsContact O-CB 3.27Å; N433-R437 WeakPolarHBondContact O-CB 3.37Å; N433-R437 PolarHBondContact O-N 3.49Å
434A88.3Confident91.8Very high67 Ų6755.8 Ų55.855%0.55429%0.292SS*.Hα-helixtrans-55.2-39.7-173.300000113.5M432 S438M432-A434 PolarHBondContact O-N 2.85Å; A434-S438 WeakPolarHBondContact O-CB 3.24Å; A434-S438 PolarHBondContact O-N 2.91Å
435F87.9Confident91.7Very high72 Ų7256.4 Ų56.432%0.31629%0.292SS..Hα-helixtrans-64-52.6178-178.2-88.1000111.3N305 N433 R437 S438 L439N305-F435 WeakPolarHBondContact O-CE2 3.41Å; N433-F435 VanDerWaalsContact C-N 3.27Å; N433-F435 PolarHBondContact O-N 3.43Å; N433-F435 WeakPolarHBondContact OD1-CB 3.5Å; N433-F435 PolarHBondContact OD1-N 2.88Å; F435-R437 VanDerWaalsContact C-N 3.31Å; F435-R437 PolarHBondContact O-N 3Å; F435-S438 WeakPolarHBondContact O-CB 3.29Å; F435-S438 PolarHBondContact O-N 3.24Å; F435-L439 PolarHBondContact O-N 2.93Å; F435-L439 VanDerWaalsContact O-N 3.11Å
436D90.5Very high91.6Very high8 Ų857.4 Ų57.44%0.04330%0.299CS..Hα-helixtrans-65.6-37.3-179.9-66.1-2.7000111.5R311 M432 N433 L439 F440 T555R311-D436 IonicContact CZ-OD1 3.6Å; R311-D436 IonicContact CZ-OD2 3.52Å; R311-D436 IonicContact NH1-OD1 3.74Å; R311-D436 PolarHBondContact NH1-OD1 3.48Å; R311-D436 IonicContact NH1-OD2 3Å; R311-D436 IonicContact NH2-OD1 2.66Å; R311-D436 PolarHBondContact NH2-OD1 3.44Å; R311-D436 IonicContact NH2-OD2 3.89Å; R311-D436 PolarHBondContact NH2-OD2 2.8Å; M432-D436 HydrophobicContact CE-CB 3.57Å; M432-D436 HydrophobicContact CG-CB 3.88Å; M432-D436 HydrophobicContact SD-CB 3.79Å; N433-D436 PolarHBondContact O-N 2.61Å; D436-L439 PolarHBondContact O-N 3.44Å; D436-F440 VanDerWaalsContact O-CB 3.26Å; D436-F440 WeakPolarHBondContact O-CB 3.42Å; D436-F440 PolarHBondContact O-N 3.49Å; D436-T555 HydrophobicContact CB-CG2 3.68Å
437R92.2Very high91.5Very high96 Ų9654.7 Ų54.736%0.36229%0.287SS..Hα-helixtrans-63.6-42.2176.3-169.7175.467.2179.73.5111.2V429 R430 M432 N433 F435 L439 F440 L441V429-R437 HydrophobicContact CG2-CG 4.2Å; V429-R437 WeakPolarHBondContact O-CD 3.38Å; R430-R437 PolarHBondContact O-NH1 3.31Å; M432-R437 HydrophobicContact CB-CB 4.15Å; N433-R437 VanDerWaalsContact O-CB 3.27Å; N433-R437 WeakPolarHBondContact O-CB 3.37Å; N433-R437 PolarHBondContact O-N 3.49Å; F435-R437 VanDerWaalsContact C-N 3.31Å; F435-R437 PolarHBondContact O-N 3Å; R437-L439 VanDerWaalsContact C-N 3.34Å; R437-F440 PolarHBondContact O-N 2.92Å; R437-L441 HydrophobicContact CG-CD1 4.06Å; R437-L441 HydrophobicContact CG-CG 4.42Å; R437-L441 WeakPolarHBondContact O-CB 3.46Å; R437-L441 VanDerWaalsContact O-CG 3.23Å; R437-L441 WeakPolarHBondContact O-CG 3.42Å; R437-L441 PolarHBondContact O-N 3.1Å
438S91.8Very high91.4Very high81 Ų8151.9 Ų51.957%0.56627%0.272SS*.Hα-helixtrans-59.9-46.3175.7-177.30000111.1A434 F435 L441 S442A434-S438 WeakPolarHBondContact O-CB 3.24Å; A434-S438 PolarHBondContact O-N 2.91Å; F435-S438 WeakPolarHBondContact O-CB 3.29Å; F435-S438 PolarHBondContact O-N 3.24Å; S438-L441 PolarHBondContact O-N 3.09Å; S438-S442 WeakPolarHBondContact O-CB 3.3Å; S438-S442 PolarHBondContact O-N 3.36Å
439L91Very high91.4Very high34 Ų3453 Ų5318%0.17828%0.283CS..Hα-helixtrans-64.8-46.8179.1-172.258.7000111.7F435 D436 R437 L441 S442 D443 S552 R553 T555F435-L439 PolarHBondContact O-N 2.93Å; F435-L439 VanDerWaalsContact O-N 3.11Å; D436-L439 PolarHBondContact O-N 3.44Å; R437-L439 VanDerWaalsContact C-N 3.34Å; L439-L441 PolarHBondContact O-N 3.3Å; L439-S442 WeakPolarHBondContact O-CB 3.47Å; L439-S442 PolarHBondContact O-N 3.35Å; L439-D443 PolarHBondContact O-N 2.87Å; L439-S552 WeakPolarHBondContact CD2-O 3.32Å; L439-R553 HydrophobicContact CD1-CB 4.38Å; L439-R553 HydrophobicContact CD1-CG 4.22Å; L439-R553 WeakPolarHBondContact CD2-O 3.5Å; L439-T555 HydrophobicContact CD2-CG2 4.08Å
440F93.8Very high91.2Very high1 Ų158.8 Ų58.80%0.00432%0.315CS..Hα-helixtrans-56.2-48.5175.8-176.2-74.5000112I425 V429 M432 D436 R437 S442 D443 L444 V473 I475 H510I425-F440 HydrophobicContact CG2-CE1 3.6Å; I425-F440 HydrophobicContact CG2-CZ 4.04Å; V429-F440 HydrophobicContact CG1-CD1 3.93Å; V429-F440 HydrophobicContact CG1-CD2 4.39Å; V429-F440 HydrophobicContact CG1-CE1 3.75Å; V429-F440 HydrophobicContact CG1-CE2 4.2Å; V429-F440 HydrophobicContact CG1-CG 4.29Å; V429-F440 HydrophobicContact CG1-CZ 3.91Å; V429-F440 HydrophobicContact CG2-CD1 4.41Å; M432-F440 HydrophobicContact SD-CB 4.41Å; D436-F440 VanDerWaalsContact O-CB 3.26Å; D436-F440 WeakPolarHBondContact O-CB 3.42Å; D436-F440 PolarHBondContact O-N 3.49Å; R437-F440 PolarHBondContact O-N 2.92Å; F440-S442 VanDerWaalsContact C-N 3.34Å; F440-D443 PolarHBondContact O-N 3.22Å; F440-L444 HydrophobicContact CE1-CB 4.39Å; F440-L444 HydrophobicContact CE1-CD2 4.36Å; F440-L444 WeakPolarHBondContact O-CB 3.37Å; F440-L444 PolarHBondContact O-N 3.05Å; F440-V473 HydrophobicContact CE2-CG1 3.95Å; F440-V473 HydrophobicContact CZ-CB 4.34Å; F440-V473 HydrophobicContact CZ-CG1 3.5Å; F440-V473 HydrophobicContact CZ-CG2 3.88Å; F440-I475 HydrophobicContact CE1-CD1 4.18Å; F440-I475 HydrophobicContact CE2-CD1 4.21Å; F440-I475 HydrophobicContact CZ-CD1 3.93Å; F440-H510 HydrophobicContact CD2-CB 3.47Å; F440-H510 VanDerWaalsContact CD2-CB 3.47Å; F440-H510 AromaticContact CD2-CD2 3.91Å; F440-H510 AromaticContact CD2-CG 3.47Å; F440-H510 VanDerWaalsContact CD2-CG 3.47Å; F440-H510 AromaticContact CD2-ND1 3.95Å; F440-H510 HydrophobicContact CE2-CB 3.51Å; F440-H510 AromaticContact CE2-CG 3.99Å
441L94.6Very high91.3Very high58 Ų5852.9 Ų52.930%0.30430%0.298SS..Hα-helixtrans-68.6-34.9-178.1-70.5175.5000111.9K426 V429 R437 S438 L439 L444 Q445K426-L441 HydrophobicContact CG-CD2 3.98Å; V429-L441 HydrophobicContact CG2-CD2 4.23Å; R437-L441 HydrophobicContact CG-CD1 4.06Å; R437-L441 HydrophobicContact CG-CG 4.42Å; R437-L441 WeakPolarHBondContact O-CB 3.46Å; R437-L441 VanDerWaalsContact O-CG 3.23Å; R437-L441 WeakPolarHBondContact O-CG 3.42Å; R437-L441 PolarHBondContact O-N 3.1Å; S438-L441 PolarHBondContact O-N 3.09Å; L439-L441 PolarHBondContact O-N 3.3Å; L441-L444 HydrophobicContact CD2-CD2 4.32Å; L441-Q445 WeakPolarHBondContact O-CB 3.43Å; L441-Q445 PolarHBondContact O-N 2.81Å
442S92.5Very high91.7Very high59 Ų5952 Ų5241%0.41328%0.284SS..Hα-helixtrans-59.2-47.3171.6-176.20000111.2S438 L439 F440 Q445 S446S438-S442 WeakPolarHBondContact O-CB 3.3Å; S438-S442 PolarHBondContact O-N 3.36Å; L439-S442 WeakPolarHBondContact O-CB 3.47Å; L439-S442 PolarHBondContact O-N 3.35Å; F440-S442 VanDerWaalsContact C-N 3.34Å; S442-Q445 PolarHBondContact O-N 3.16Å; S442-S446 PolarHBondContact O-N 3.16Å; S442-S446 PolarHBondContact O-OG 2.83Å
443D93.5Very high91.7Very high1 Ų150.7 Ų50.71%0.00528%0.278CS..Hα-helixtrans-71.2-35.6-177.7-70.46.1000112L439 F440 Q445 S446 F447 I475 Y509 H510 R553L439-D443 PolarHBondContact O-N 2.87Å; F440-D443 PolarHBondContact O-N 3.22Å; D443-Q445 VanDerWaalsContact C-N 3.34Å; D443-S446 PolarHBondContact O-N 3.21Å; D443-F447 PolarHBondContact O-N 3.35Å; D443-I475 HydrophobicContact CB-CD1 4.46Å; D443-I475 HydrophobicContact CB-CG2 4.42Å; D443-Y509 WeakPolarHBondContact OD2-CD2 3.04Å; D443-H510 IonicContact OD2-NE2 2.74Å; D443-H510 PolarHBondContact OD2-NE2 3.21Å; D443-H510 VanDerWaalsContact OD2-NE2 3.12Å; D443-R553 VanDerWaalsContact CG-NH2 3.27Å; D443-R553 IonicContact OD1-CZ 3.26Å; D443-R553 VanDerWaalsContact OD1-CZ 3.3Å; D443-R553 IonicContact OD1-NE 3.65Å; D443-R553 PolarHBondContact OD1-NE 3.38Å; D443-R553 IonicContact OD1-NH2 3.14Å; D443-R553 PolarHBondContact OD1-NH2 3.01Å; D443-R553 IonicContact OD2-CZ 2.72Å; D443-R553 IonicContact OD2-NE 3.03Å; D443-R553 PolarHBondContact OD2-NE 3.19Å; D443-R553 IonicContact OD2-NH2 2.79Å; D443-R553 PolarHBondContact OD2-NH2 3.15Å
444L94.8Very high91.7Very high4 Ų455.9 Ų55.92%0.02130%0.3CS..Hα-helixtrans-61.1-44.1169.9-178.266.6000111.1I425 F440 L441 F447 I448 I475I425-L444 HydrophobicContact CB-CD2 4.29Å; I425-L444 HydrophobicContact CD1-CD1 4.04Å; I425-L444 HydrophobicContact CD1-CD2 4.49Å; I425-L444 HydrophobicContact CG2-CD2 3.71Å; F440-L444 HydrophobicContact CE1-CB 4.39Å; F440-L444 HydrophobicContact CE1-CD2 4.36Å; F440-L444 WeakPolarHBondContact O-CB 3.37Å; F440-L444 PolarHBondContact O-N 3.05Å; L441-L444 HydrophobicContact CD2-CD2 4.32Å; L444-F447 WeakPolarHBondContact O-CB 3.45Å; L444-F447 PolarHBondContact O-N 2.87Å; L444-I448 HydrophobicContact CD1-CD1 4.16Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CD2-CD1 4.44Å; L444-I448 HydrophobicContact CG-CD1 3.89Å; L444-I448 HydrophobicContact CG-CG1 4.5Å; L444-I448 WeakPolarHBondContact O-CG1 3.49Å; L444-I448 PolarHBondContact O-N 3.25Å; L444-I475 HydrophobicContact CB-CD1 4.02Å; L444-I475 HydrophobicContact CD1-CD1 4.36Å
445Q94.2Very high91.7Very high96 Ų9657.3 Ų57.345%0.44930%0.298SS..Hα-helixtrans-65.9-41179.4-172.361.719.600111.8L441 S442 D443 F447 I448 S449L441-Q445 WeakPolarHBondContact O-CB 3.43Å; L441-Q445 PolarHBondContact O-N 2.81Å; S442-Q445 PolarHBondContact O-N 3.16Å; D443-Q445 VanDerWaalsContact C-N 3.34Å; Q445-F447 VanDerWaalsContact C-N 3.29Å; Q445-F447 PolarHBondContact O-N 2.83Å; Q445-I448 PolarHBondContact O-N 2.99Å; Q445-S449 VanDerWaalsContact O-CB 3.31Å; Q445-S449 WeakPolarHBondContact O-CB 3.13Å; Q445-S449 PolarHBondContact O-N 2.8Å; Q445-S449 PolarHBondContact O-OG 2.75Å
446S92.5Very high91.8Very high20 Ų2055.3 Ų55.314%0.1430%0.298CS..Hα-helixtrans-60.1-39.4173.5-66.10000111.9S442 D443 S449 N450 G451S442-S446 PolarHBondContact O-N 3.16Å; S442-S446 PolarHBondContact O-OG 2.83Å; D443-S446 PolarHBondContact O-N 3.21Å; S446-S449 PolarHBondContact O-OG 2.85Å; S446-N450 PolarHBondContact O-N 2.91Å; S446-N450 VanDerWaalsContact O-N 3.08Å; S446-G451 PolarHBondContact O-N 3.45Å; S446-G451 VanDerWaalsContact O-N 3.16Å
447F94.1Very high91.9Very high17 Ų1755.3 Ų55.38%0.07530%0.298CS..Hα-helixtrans-64.9-48.7172.7170.9-96.7000112.9R416 T417 D443 L444 Q445 G451 I459 S461R416-F447 HydrophobicContact CG-CZ 4.32Å; T417-F447 HydrophobicContact CG2-CE1 4.26Å; D443-F447 PolarHBondContact O-N 3.35Å; L444-F447 WeakPolarHBondContact O-CB 3.45Å; L444-F447 PolarHBondContact O-N 2.87Å; Q445-F447 VanDerWaalsContact C-N 3.29Å; Q445-F447 PolarHBondContact O-N 2.83Å; F447-G451 VanDerWaalsContact O-CA 3.25Å; F447-G451 WeakPolarHBondContact O-CA 3.46Å; F447-G451 PolarHBondContact O-N 2.83Å; F447-I459 HydrophobicContact CB-CG2 4.02Å; F447-I459 HydrophobicContact CD2-CG2 4.23Å; F447-I459 WeakPolarHBondContact CD2-O 3.24Å; F447-S461 VanDerWaalsContact CE2-N 3.31Å
448I92.7Very high92Very high38 Ų3853.5 Ų53.520%0.19530%0.295CS..Hα-helixtrans-65.5-42.4-177-68.5171.2000111.2E422 L444 Q445E422-I448 HydrophobicContact CB-CD1 4.2Å; E422-I448 HydrophobicContact CG-CD1 3.92Å; L444-I448 HydrophobicContact CD1-CD1 4.16Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CD2-CD1 4.44Å; L444-I448 HydrophobicContact CG-CD1 3.89Å; L444-I448 HydrophobicContact CG-CG1 4.5Å; L444-I448 WeakPolarHBondContact O-CG1 3.49Å; L444-I448 PolarHBondContact O-N 3.25Å; Q445-I448 PolarHBondContact O-N 2.99Å
449S90.7Very high92.1Very high66 Ų6649.6 Ų49.646%0.46227%0.268SS..Hα-helixtrans-75.6-51.4-175.956.30000113Q445 S446Q445-S449 VanDerWaalsContact O-CB 3.31Å; Q445-S449 WeakPolarHBondContact O-CB 3.13Å; Q445-S449 PolarHBondContact O-N 2.8Å; Q445-S449 PolarHBondContact O-OG 2.75Å; S446-S449 PolarHBondContact O-OG 2.85Å
450N89.9Confident92.3Very high124 Ų12449.1 Ų49.166%0.66326%0.264SS*.Hα-helixtrans-120.7-16.7-168-63.6-35.7000113.6S446 R452S446-N450 PolarHBondContact O-N 2.91Å; S446-N450 VanDerWaalsContact O-N 3.08Å; N450-R452 HydrophobicContact CB-CB 4.38Å; N450-R452 PolarHBondContact O-N 3.08Å; N450-R452 VanDerWaalsContact O-N 3.12Å
451G92.1Very high92.5Very high18 Ų1849 Ų4919%0.18626%0.264CS..SBendtrans60.415.8-168.600000113.1S446 F447 I459S446-G451 PolarHBondContact O-N 3.45Å; S446-G451 VanDerWaalsContact O-N 3.16Å; F447-G451 VanDerWaalsContact O-CA 3.25Å; F447-G451 WeakPolarHBondContact O-CA 3.46Å; F447-G451 PolarHBondContact O-N 2.83Å; G451-I459 PolarHBondContact O-N 3.47Å; G451-I459 VanDerWaalsContact O-N 3.1Å
452R93.1Very high92.6Very high125 Ų12546.7 Ų46.747%0.47225%0.251SS..BIsolated β-bridgetrans-145.4152.1-172.4-69.3-177.9-176.6-95.3-0.8110.1N450 G456 T457N450-R452 HydrophobicContact CB-CB 4.38Å; N450-R452 PolarHBondContact O-N 3.08Å; N450-R452 VanDerWaalsContact O-N 3.12Å; R452-G456 WeakPolarHBondContact CD-O 3.28Å; R452-G456 PolarHBondContact NH1-O 3.22Å; R452-T457 CarbonylContact C-O 3.59Å; R452-T457 WeakPolarHBondContact CA-O 3.43Å; R452-T457 WeakPolarHBondContact CB-O 3.39Å
453D89.2Confident92.9Very high12 Ų1243.9 Ų43.96%0.06423%0.232CC..  trans-79.8173.7173.2-149.3-3.9000112D455 G456 T457 I459 R477 R553D453-D455 PolarHBondContact O-N 3.1Å; D453-G456 PolarHBondContact O-N 3.12Å; D453-T457 PolarHBondContact N-O 3.24Å; D453-I459 HydrophobicContact CB-CD1 3.66Å; D453-I459 HydrophobicContact CB-CG1 4.04Å; D453-R477 IonicContact OD2-NE 2.7Å; D453-R477 PolarHBondContact OD2-NE 3.45Å; D453-R553 IonicContact OD1-CZ 3.65Å; D453-R553 VanDerWaalsContact OD1-CZ 3.22Å; D453-R553 IonicContact OD1-NH1 3.74Å; D453-R553 PolarHBondContact OD1-NH1 3.42Å; D453-R553 IonicContact OD1-NH2 3.65Å; D453-R553 PolarHBondContact OD1-NH2 3.4Å; D453-R553 IonicContact OD2-CZ 2.7Å; D453-R553 IonicContact OD2-NH1 3.42Å; D453-R553 PolarHBondContact OD2-NH1 3.41Å; D453-R553 IonicContact OD2-NH2 3.44Å
454E86.3Confident93Very high176 Ų17643.9 Ų43.982%0.82223%0.231SC*.THydrogen-bonded Turntrans-55.6-32.7179.8-63-179174.100113.3G456E454-G456 VanDerWaalsContact C-N 3.31Å
455D88.3Confident93.1Very high98 Ų9845 Ų4552%0.52424%0.237SC..THydrogen-bonded Turntrans-87.73.7178.568.32000114D453 T457 R477D453-D455 PolarHBondContact O-N 3.1Å; D455-T457 VanDerWaalsContact CG-OG1 3.25Å; D455-T457 WeakPolarHBondContact OD1-CB 3.31Å; D455-T457 PolarHBondContact OD1-N 2.65Å; D455-T457 PolarHBondContact OD1-OG1 3.16Å; D455-T457 PolarHBondContact OD2-OG1 3.3Å; D455-R477 IonicContact OD1-NH2 2.87Å; D455-R477 IonicContact OD2-CZ 3.53Å; D455-R477 IonicContact OD2-NH2 3.78Å; D455-R477 PolarHBondContact OD2-NH2 3.01Å
456G89.4Confident93Very high30 Ų3040.4 Ų40.431%0.30922%0.216SC..SBendtrans85.11-178.800000115R452 D453 E454R452-G456 WeakPolarHBondContact CD-O 3.28Å; R452-G456 PolarHBondContact NH1-O 3.22Å; D453-G456 PolarHBondContact O-N 3.12Å; E454-G456 VanDerWaalsContact C-N 3.31Å
457T92.5Very high92.9Very high7 Ų743.5 Ų43.54%0.04323%0.23CC..  trans-65.6143176-56.80000111.4R452 D453 D455 R477 D478 H480R452-T457 CarbonylContact C-O 3.59Å; R452-T457 WeakPolarHBondContact CA-O 3.43Å; R452-T457 WeakPolarHBondContact CB-O 3.39Å; D453-T457 PolarHBondContact N-O 3.24Å; D455-T457 VanDerWaalsContact CG-OG1 3.25Å; D455-T457 WeakPolarHBondContact OD1-CB 3.31Å; D455-T457 PolarHBondContact OD1-N 2.65Å; D455-T457 PolarHBondContact OD1-OG1 3.16Å; D455-T457 PolarHBondContact OD2-OG1 3.3Å; T457-R477 HydrophobicContact CG2-CG 3.46Å; T457-R477 VanDerWaalsContact CG2-CG 3.46Å; T457-R477 PolarHBondContact OG1-NH2 2.98Å; T457-D478 HydrophobicContact CG2-CB 3.74Å; T457-D478 WeakPolarHBondContact CG2-O 3.42Å; T457-H480 WeakPolarHBondContact CG2-CD2 3.17Å; T457-H480 WeakPolarHBondContact CG2-NE2 3.46Å; T457-H480 PolarHBondContact OG1-CD2 3.08Å; T457-H480 VanDerWaalsContact OG1-CD2 3.29Å
458I94.5Very high92.7Very high58 Ų5846 Ų4630%0.29726%0.261SS..BIsolated β-bridgetrans-72133-179.4-56.7177000110.4F460 R477 D478I458-F460 HydrophobicContact CB-CE2 4.46Å; I458-F460 HydrophobicContact CB-CZ 4.2Å; I458-F460 HydrophobicContact CG2-CD1 4.39Å; I458-F460 HydrophobicContact CG2-CE1 3.75Å; I458-F460 HydrophobicContact CG2-CE2 3.98Å; I458-F460 HydrophobicContact CG2-CZ 3.5Å; I458-F460 VanDerWaalsContact CG2-CZ 3.5Å; I458-R477 WeakPolarHBondContact O-CA 3.21Å; I458-D478 PolarHBondContact O-N 2.87Å
459I94.5Very high92.8Very high0 Ų051.4 Ų51.40%028%0.283CS..EExtended strand (participates in β ladder)trans-110.1140.7171.8-60.4176.2000109F447 G451 D453 I475 L476 R477F447-I459 HydrophobicContact CB-CG2 4.02Å; F447-I459 HydrophobicContact CD2-CG2 4.23Å; F447-I459 WeakPolarHBondContact CD2-O 3.24Å; G451-I459 PolarHBondContact O-N 3.47Å; G451-I459 VanDerWaalsContact O-N 3.1Å; D453-I459 HydrophobicContact CB-CD1 3.66Å; D453-I459 HydrophobicContact CB-CG1 4.04Å; I459-I475 HydrophobicContact CG2-CG2 3.69Å; I459-L476 CarbonylContact C-O 3.55Å; I459-L476 WeakPolarHBondContact CA-O 3.48Å; I459-L476 WeakPolarHBondContact CG2-O 3.15Å; I459-R477 HydrophobicContact CG1-CG 4.39Å
460F95.2Very high93Very high23 Ų2349.4 Ų49.410%0.10127%0.267CS..EExtended strand (participates in β ladder)trans-116.3144.9172.8-46.1-90.1000109.5I458 Y462 I475 L476 D478 V506I458-F460 HydrophobicContact CB-CE2 4.46Å; I458-F460 HydrophobicContact CB-CZ 4.2Å; I458-F460 HydrophobicContact CG2-CD1 4.39Å; I458-F460 HydrophobicContact CG2-CE1 3.75Å; I458-F460 HydrophobicContact CG2-CE2 3.98Å; I458-F460 HydrophobicContact CG2-CZ 3.5Å; I458-F460 VanDerWaalsContact CG2-CZ 3.5Å; F460-Y462 HydrophobicContact CB-CD2 4.31Å; F460-Y462 HydrophobicContact CB-CE2 3.66Å; F460-Y462 HydrophobicContact CG-CE2 4.48Å; F460-I475 CarbonylContact O-C 3.51Å; F460-I475 WeakPolarHBondContact O-CA 3.43Å; F460-L476 HydrophobicContact CB-CB 4.47Å; F460-L476 HydrophobicContact CD2-CB 4.46Å; F460-L476 PolarHBondContact N-O 3.48Å; F460-L476 PolarHBondContact O-N 2.76Å; F460-D478 WeakPolarHBondContact CE2-OD1 3.37Å; F460-D478 WeakPolarHBondContact CZ-OD1 3.41Å; F460-V506 HydrophobicContact CD2-CG2 4.29Å; F460-V506 HydrophobicContact CE2-CG2 4.42Å
461S97.4Very high93.3Very high0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-134134.6170.1-175.10000109.5R416 T417 F447 A474R416-S461 WeakPolarHBondContact CG-O 3.44Å; T417-S461 WeakPolarHBondContact CB-OG 3.24Å; T417-S461 PolarHBondContact N-O 3.45Å; T417-S461 VanDerWaalsContact OG1-CB 3.31Å; T417-S461 WeakPolarHBondContact OG1-CB 3.25Å; T417-S461 PolarHBondContact OG1-O 2.97Å; T417-S461 PolarHBondContact OG1-OG 2.65Å; F447-S461 VanDerWaalsContact CE2-N 3.31Å; S461-A474 VanDerWaalsContact CA-O 3.25Å; S461-A474 WeakPolarHBondContact CA-O 3.33Å; S461-A474 PolarHBondContact OG-O 3.48Å
462Y97.7Very high93.5Very high9 Ų943.2 Ų43.24%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-129.3146.6179.3-66.3-89.8000110.1R415 R416 T417 F460 V473 A474 L476 I528 Q531 S532R415-Y462 CarbonylContact O-C 3.54Å; R415-Y462 WeakPolarHBondContact O-CA 3.39Å; R416-Y462 HydrophobicContact CB-CD1 4.44Å; R416-Y462 HydrophobicContact CB-CE1 4.32Å; T417-Y462 PolarHBondContact OG1-N 2.66Å; F460-Y462 HydrophobicContact CB-CD2 4.31Å; F460-Y462 HydrophobicContact CB-CE2 3.66Å; F460-Y462 HydrophobicContact CG-CE2 4.48Å; Y462-V473 CarbonylContact O-C 3.51Å; Y462-V473 WeakPolarHBondContact O-CA 3.46Å; Y462-A474 PolarHBondContact N-O 3.07Å; Y462-A474 PolarHBondContact O-N 3.14Å; Y462-L476 HydrophobicContact CD2-CD1 3.91Å; Y462-L476 HydrophobicContact CE2-CD1 4.4Å; Y462-I528 HydrophobicContact CD2-CG1 4.16Å; Y462-I528 HydrophobicContact CD2-CG2 4.05Å; Y462-I528 HydrophobicContact CE2-CG2 4.21Å; Y462-I528 HydrophobicContact CG-CG1 4.06Å; Y462-Q531 HydrophobicContact CE1-CB 3.7Å; Y462-Q531 PolarHBondContact OH-O 3.36Å; Y462-S532 WeakPolarHBondContact OH-CA 3.37Å; Y462-S532 VanDerWaalsContact OH-CB 3.25Å; Y462-S532 WeakPolarHBondContact OH-CB 3.21Å; Y462-S532 PolarHBondContact OH-N 3.08Å
463V97.8Very high93.7Very high0 Ų037.2 Ų37.20%021%0.207CC..EExtended strand (participates in β ladder)trans-121.1143.3176.8-67.30000110.2V414 R415 T417 I425 I465 L470 G472 V473V414-V463 WeakPolarHBondContact CA-O 3.35Å; R415-V463 HydrophobicContact CG-CG2 3.89Å; R415-V463 PolarHBondContact N-O 2.97Å; R415-V463 PolarHBondContact O-N 2.81Å; T417-V463 HydrophobicContact CG2-CG1 4.13Å; T417-V463 WeakPolarHBondContact OG1-CG1 3.44Å; I425-V463 HydrophobicContact CD1-CG1 4.01Å; I425-V463 HydrophobicContact CG1-CG1 4.37Å; V463-I465 HydrophobicContact CG2-CD1 4.42Å; V463-I465 HydrophobicContact CG2-CG1 4.46Å; V463-L470 HydrophobicContact CB-CD1 3.92Å; V463-L470 HydrophobicContact CB-CG 4.17Å; V463-L470 HydrophobicContact CG1-CD1 3.56Å; V463-L470 HydrophobicContact CG1-CG 4.21Å; V463-G472 CarbonylContact C-O 3.55Å; V463-G472 VanDerWaalsContact CA-O 3.27Å; V463-G472 WeakPolarHBondContact CA-O 3.41Å; V463-V473 HydrophobicContact CG1-CG2 4.34Å
464A96.9Very high94.1Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-99.2132.2168.900000109.3F412 T413 V471 G472 L513 F524F412-A464 HydrophobicContact CE1-CB 4.3Å; F412-A464 HydrophobicContact CE2-CB 3.96Å; F412-A464 HydrophobicContact CZ-CB 3.59Å; T413-A464 CarbonylContact O-C 3.56Å; T413-A464 WeakPolarHBondContact O-CA 3.14Å; A464-V471 HydrophobicContact CB-CG2 4.13Å; A464-V471 WeakPolarHBondContact O-CG2 3.44Å; A464-V471 PolarHBondContact O-N 3.47Å; A464-G472 PolarHBondContact N-O 3.37Å; A464-G472 PolarHBondContact O-N 3.1Å; A464-L513 HydrophobicContact CB-CD1 4.39Å; A464-F524 HydrophobicContact CB-CD1 4.11Å; A464-F524 HydrophobicContact CB-CD2 4.26Å; A464-F524 HydrophobicContact CB-CE1 4Å; A464-F524 HydrophobicContact CB-CE2 4.13Å; A464-F524 HydrophobicContact CB-CG 4.27Å; A464-F524 HydrophobicContact CB-CZ 4.01Å
465I95.5Very high94.6Very high27 Ų2728.3 Ų28.314%0.13817%0.165CC..EExtended strand (participates in β ladder)trans-122.6128.7-178.4-60.6173.8000108.7F412 T413 R415 V463 K469F412-I465 WeakPolarHBondContact CA-O 3.35Å; T413-I465 PolarHBondContact N-O 3.07Å; T413-I465 PolarHBondContact O-N 3.22Å; T413-I465 PolarHBondContact OG1-O 3.42Å; R415-I465 HydrophobicContact CG-CD1 4.18Å; V463-I465 HydrophobicContact CG2-CD1 4.42Å; V463-I465 HydrophobicContact CG2-CG1 4.46Å; I465-K469 VanDerWaalsContact CA-O 3.28Å; I465-K469 WeakPolarHBondContact CA-O 3.43Å
466A93.4Very high95Very high1 Ų123.7 Ų23.71%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-139.8139.9173.200000109.9D411 F412 G468 K469 V471 F517D411-A466 WeakPolarHBondContact O-CA 3.18Å; D411-A466 VanDerWaalsContact O-CB 3.23Å; D411-A466 WeakPolarHBondContact O-CB 3.44Å; F412-A466 HydrophobicContact CD2-CB 4.24Å; A466-G468 PolarHBondContact O-N 3.28Å; A466-K469 PolarHBondContact N-O 2.87Å; A466-K469 PolarHBondContact O-N 2.59Å; A466-K469 VanDerWaalsContact O-O 3.13Å; A466-V471 HydrophobicContact CB-CG1 4.22Å; A466-V471 HydrophobicContact CB-CG2 3.95Å; A466-F517 HydrophobicContact CB-CD1 4.28Å; A466-F517 HydrophobicContact CB-CE1 3.54Å; A466-F517 HydrophobicContact CB-CE2 4.11Å; A466-F517 HydrophobicContact CB-CZ 3.44Å; A466-F517 VanDerWaalsContact CB-CZ 3.44Å
467L90Very high95.3Very high84 Ų8423 Ų2344%0.4413%0.129SC..THydrogen-bonded Turntrans55.135.5-178.9-54.6173.1000112.8H409 D411 K469H409-L467 HydrophobicContact CB-CD2 4.31Å; D411-L467 PolarHBondContact OD2-N 3.23Å; L467-K469 PolarHBondContact O-N 3.35Å
468G90.4Very high95.4Very high69 Ų6923.5 Ų23.571%0.71113%0.131SC*.THydrogen-bonded Turntrans68.49.4-17600000115.5A466A466-G468 PolarHBondContact O-N 3.28Å
469K93.5Very high95.4Very high153 Ų15321.5 Ų21.567%0.66512%0.12SC*.EExtended strand (participates in β ladder)trans-116147.8179-65.1-176.5-179.9-179.50111.4I465 A466 L467 V471I465-K469 VanDerWaalsContact CA-O 3.28Å; I465-K469 WeakPolarHBondContact CA-O 3.43Å; A466-K469 PolarHBondContact N-O 2.87Å; A466-K469 PolarHBondContact O-N 2.59Å; A466-K469 VanDerWaalsContact O-O 3.13Å; L467-K469 PolarHBondContact O-N 3.35Å; K469-V471 PolarHBondContact O-N 3.44Å
470L96.3Very high95.1Very high23 Ų2326.4 Ų26.412%0.1214%0.143CC..EExtended strand (participates in β ladder)trans-73121169.8-169.1155.2000109.3D421 D424 I425 L428 V463D421-L470 HydrophobicContact CB-CD1 3.88Å; D424-L470 HydrophobicContact CB-CB 4.01Å; D424-L470 HydrophobicContact CB-CD1 4.05Å; I425-L470 HydrophobicContact CD1-CD1 4.36Å; I425-L470 HydrophobicContact CG1-CD1 3.66Å; I425-L470 HydrophobicContact CG1-CD2 4.25Å; L428-L470 HydrophobicContact CB-CD2 4.47Å; L428-L470 HydrophobicContact CD2-CD2 3.69Å; V463-L470 HydrophobicContact CB-CD1 3.92Å; V463-L470 HydrophobicContact CB-CG 4.17Å; V463-L470 HydrophobicContact CG1-CD1 3.56Å; V463-L470 HydrophobicContact CG1-CG 4.21Å
471V95.3Very high94.9Very high12 Ų1228.9 Ų28.97%0.07316%0.155CC..EExtended strand (participates in β ladder)trans-120.4-10.9-174.9-62.20000113.1F412 A464 A466 K469 A514 F517F412-V471 HydrophobicContact CE2-CG2 4.22Å; A464-V471 HydrophobicContact CB-CG2 4.13Å; A464-V471 WeakPolarHBondContact O-CG2 3.44Å; A464-V471 PolarHBondContact O-N 3.47Å; A466-V471 HydrophobicContact CB-CG1 4.22Å; A466-V471 HydrophobicContact CB-CG2 3.95Å; K469-V471 PolarHBondContact O-N 3.44Å; V471-A514 HydrophobicContact CB-CB 4.39Å; V471-A514 VanDerWaalsContact O-CB 3.25Å; V471-A514 WeakPolarHBondContact O-CB 3.46Å; V471-A514 PolarHBondContact O-N 2.81Å; V471-F517 HydrophobicContact CB-CD2 3.74Å; V471-F517 HydrophobicContact CB-CE2 3.99Å; V471-F517 HydrophobicContact CG1-CD2 3.86Å; V471-F517 HydrophobicContact CG1-CE2 3.55Å; V471-F517 HydrophobicContact CG1-CZ 4.36Å; V471-F517 HydrophobicContact CG2-CD2 3.95Å; V471-F517 HydrophobicContact CG2-CE2 4.27Å; V471-F517 HydrophobicContact CG2-CG 4.26Å
472G96.6Very high94.7Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-157.2158.2177.100000112.6V463 A464 L512V463-G472 CarbonylContact C-O 3.55Å; V463-G472 VanDerWaalsContact CA-O 3.27Å; V463-G472 WeakPolarHBondContact CA-O 3.41Å; A464-G472 PolarHBondContact N-O 3.37Å; A464-G472 PolarHBondContact O-N 3.1Å; G472-L512 CarbonylContact C-O 3.57Å; G472-L512 WeakPolarHBondContact CA-O 3.39Å
473V97.8Very high94.5Very high0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-147140.7-179.661.10000109.9I425 L428 F440 Y462 V463 L512I425-V473 HydrophobicContact CD1-CG2 4.15Å; I425-V473 HydrophobicContact CG1-CG2 4.31Å; I425-V473 HydrophobicContact CG2-CG1 4.48Å; I425-V473 HydrophobicContact CG2-CG2 4.33Å; L428-V473 HydrophobicContact CD2-CB 4.49Å; L428-V473 HydrophobicContact CD2-CG1 3.92Å; F440-V473 HydrophobicContact CE2-CG1 3.95Å; F440-V473 HydrophobicContact CZ-CB 4.34Å; F440-V473 HydrophobicContact CZ-CG1 3.5Å; F440-V473 HydrophobicContact CZ-CG2 3.88Å; Y462-V473 CarbonylContact O-C 3.51Å; Y462-V473 WeakPolarHBondContact O-CA 3.46Å; V463-V473 HydrophobicContact CG1-CG2 4.34Å; V473-L512 HydrophobicContact CG1-CB 4.11Å; V473-L512 PolarHBondContact N-O 2.88Å; V473-L512 PolarHBondContact O-N 3.24Å
474A97.9Very high94.3Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-134.6141173.700000110.2S461 Y462 L476 H510 F511 F524 I528S461-A474 VanDerWaalsContact CA-O 3.25Å; S461-A474 WeakPolarHBondContact CA-O 3.33Å; S461-A474 PolarHBondContact OG-O 3.48Å; Y462-A474 PolarHBondContact N-O 3.07Å; Y462-A474 PolarHBondContact O-N 3.14Å; A474-L476 HydrophobicContact CB-CD1 4.06Å; A474-H510 CarbonylContact C-O 3.53Å; A474-H510 VanDerWaalsContact CA-O 3.27Å; A474-H510 WeakPolarHBondContact CA-O 3.29Å; A474-F511 HydrophobicContact CB-CD2 3.75Å; A474-F511 HydrophobicContact CB-CE2 4.37Å; A474-F524 HydrophobicContact CB-CE1 4.42Å; A474-F524 HydrophobicContact CB-CZ 4.03Å; A474-I528 HydrophobicContact CB-CD1 3.58Å
475I96.9Very high94.2Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-125.6126.1175-60.3175.5000108.1F440 D443 L444 I459 F460 Y509 H510F440-I475 HydrophobicContact CE1-CD1 4.18Å; F440-I475 HydrophobicContact CE2-CD1 4.21Å; F440-I475 HydrophobicContact CZ-CD1 3.93Å; D443-I475 HydrophobicContact CB-CD1 4.46Å; D443-I475 HydrophobicContact CB-CG2 4.42Å; L444-I475 HydrophobicContact CB-CD1 4.02Å; L444-I475 HydrophobicContact CD1-CD1 4.36Å; I459-I475 HydrophobicContact CG2-CG2 3.69Å; F460-I475 CarbonylContact O-C 3.51Å; F460-I475 WeakPolarHBondContact O-CA 3.43Å; I475-Y509 PolarHBondContact O-N 3.4Å; I475-H510 HydrophobicContact CB-CB 4.23Å; I475-H510 PolarHBondContact N-O 3.41Å; I475-H510 PolarHBondContact O-N 3.25Å
476L96.3Very high94.1Very high2 Ų229.9 Ų29.91%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-130.4151.9-173.5-5595.3000110.2I459 F460 Y462 A474 V506 S507 L508 I528 I537I459-L476 CarbonylContact C-O 3.55Å; I459-L476 WeakPolarHBondContact CA-O 3.48Å; I459-L476 WeakPolarHBondContact CG2-O 3.15Å; F460-L476 HydrophobicContact CB-CB 4.47Å; F460-L476 HydrophobicContact CD2-CB 4.46Å; F460-L476 PolarHBondContact N-O 3.48Å; F460-L476 PolarHBondContact O-N 2.76Å; Y462-L476 HydrophobicContact CD2-CD1 3.91Å; Y462-L476 HydrophobicContact CE2-CD1 4.4Å; A474-L476 HydrophobicContact CB-CD1 4.06Å; L476-V506 HydrophobicContact CB-CG2 3.58Å; L476-V506 HydrophobicContact CD2-CG1 3.72Å; L476-V506 HydrophobicContact CD2-CG2 4.16Å; L476-S507 CarbonylContact C-O 3.58Å; L476-S507 WeakPolarHBondContact CA-O 3.42Å; L476-L508 HydrophobicContact CD2-CD1 4.1Å; L476-L508 HydrophobicContact CG-CD1 3.8Å; L476-I528 HydrophobicContact CD1-CG2 3.79Å; L476-I528 HydrophobicContact CD2-CG2 3.69Å; L476-I528 HydrophobicContact CG-CG2 4.43Å; L476-I537 HydrophobicContact CD2-CD1 4.37Å; L476-I537 HydrophobicContact CD2-CG1 4.21Å
477R94.9Very high94.1Very high16 Ų1629.9 Ų29.96%0.0616%0.158CC..EExtended strand (participates in β ladder)trans-130.2139.9179-177.6-174.8170.6-83.811.5110.7D453 D455 T457 I458 I459 E479 V506 S507 Y509D453-R477 IonicContact OD2-NE 2.7Å; D453-R477 PolarHBondContact OD2-NE 3.45Å; D455-R477 IonicContact OD1-NH2 2.87Å; D455-R477 IonicContact OD2-CZ 3.53Å; D455-R477 IonicContact OD2-NH2 3.78Å; D455-R477 PolarHBondContact OD2-NH2 3.01Å; T457-R477 HydrophobicContact CG2-CG 3.46Å; T457-R477 VanDerWaalsContact CG2-CG 3.46Å; T457-R477 PolarHBondContact OG1-NH2 2.98Å; I458-R477 WeakPolarHBondContact O-CA 3.21Å; I459-R477 HydrophobicContact CG1-CG 4.39Å; R477-E479 PolarHBondContact O-N 3.36Å; R477-V506 WeakPolarHBondContact O-CG2 3.22Å; R477-S507 PolarHBondContact N-O 3.2Å; R477-S507 PolarHBondContact O-N 2.76Å; R477-Y509 HydrophobicContact CB-CD2 4.44Å; R477-Y509 HydrophobicContact CB-CE1 4.16Å; R477-Y509 HydrophobicContact CB-CE2 4.01Å; R477-Y509 WeakPolarHBondContact CD-OH 3.5Å; R477-Y509 HydrophobicContact CG-CE2 4.46Å
478D95.7Very high94.4Very high16 Ų1626.1 Ų26.19%0.08614%0.138CC..EExtended strand (participates in β ladder)trans-54133.4173.9-90-10.6000112.2T457 I458 F460 H480 K534T457-D478 HydrophobicContact CG2-CB 3.74Å; T457-D478 WeakPolarHBondContact CG2-O 3.42Å; I458-D478 PolarHBondContact O-N 2.87Å; F460-D478 WeakPolarHBondContact CE2-OD1 3.37Å; F460-D478 WeakPolarHBondContact CZ-OD1 3.41Å; D478-H480 PolarHBondContact O-N 3.44Å; D478-K534 VanDerWaalsContact OD1-CE 3.26Å; D478-K534 WeakPolarHBondContact OD1-CE 3.16Å; D478-K534 IonicContact OD1-NZ 3.59Å; D478-K534 PolarHBondContact OD1-NZ 3.47Å; D478-K534 IonicContact OD2-NZ 2.75Å
479E93.7Very high94.7Very high17 Ų1722.9 Ų22.98%0.07910%0.104CC..  trans-91.895.7179.2-175.649.2-103.300110.7R477 H481 I482 L485 H505 S507R477-E479 PolarHBondContact O-N 3.36Å; E479-H481 WeakPolarHBondContact OE1-CA 3.28Å; E479-H481 WeakPolarHBondContact OE1-CB 3.47Å; E479-H481 IonicContact OE1-CG 3.65Å; E479-H481 PolarHBondContact OE1-N 2.96Å; E479-H481 IonicContact OE1-ND1 2.67Å; E479-I482 HydrophobicContact CG-CB 4.42Å; E479-L485 HydrophobicContact CG-CD1 3.72Å; E479-H505 HydrophobicContact CB-CB 4.09Å; E479-H505 PolarHBondContact N-O 2.8Å; E479-S507 PolarHBondContact OE2-OG 3.26Å
480H89.2Confident94.7Very high103 Ų10316.9 Ų16.948%0.4778%0.08SC..THydrogen-bonded Turntrans-80.1-15.8179-73.5-61.5000114.3T457 D478T457-H480 WeakPolarHBondContact CG2-CD2 3.17Å; T457-H480 WeakPolarHBondContact CG2-NE2 3.46Å; T457-H480 PolarHBondContact OG1-CD2 3.08Å; T457-H480 VanDerWaalsContact OG1-CD2 3.29Å; D478-H480 PolarHBondContact O-N 3.44Å
481H89.7Confident94.7Very high75 Ų7515.8 Ų15.835%0.3477%0.074SC..THydrogen-bonded Turntrans-105.635.9-178.2-51.899.3000111.9E479 E483 W484 L485E479-H481 WeakPolarHBondContact OE1-CA 3.28Å; E479-H481 WeakPolarHBondContact OE1-CB 3.47Å; E479-H481 IonicContact OE1-CG 3.65Å; E479-H481 PolarHBondContact OE1-N 2.96Å; E479-H481 IonicContact OE1-ND1 2.67Å; H481-E483 VanDerWaalsContact C-N 3.29Å; H481-E483 PolarHBondContact O-N 3.21Å; H481-W484 HydrophobicContact CB-CB 4.12Å; H481-W484 WeakPolarHBondContact O-CB 3.4Å; H481-W484 PolarHBondContact O-N 2.72Å; H481-L485 PolarHBondContact O-N 3.15Å; H481-L485 VanDerWaalsContact O-N 3.11Å
482I93.4Very high94.5Very high2 Ų216.9 Ų16.91%0.018%0.078CC..Hα-helixtrans-62.2-34.4-178-172.162.5000112.9E479 W484 L485 R486 I491 F497 R502 H505 Y538E479-I482 HydrophobicContact CG-CB 4.42Å; I482-W484 VanDerWaalsContact C-N 3.27Å; I482-W484 PolarHBondContact O-N 2.69Å; I482-L485 HydrophobicContact CD1-CB 4.36Å; I482-L485 HydrophobicContact CD1-CD1 4.17Å; I482-L485 PolarHBondContact O-N 2.82Å; I482-R486 WeakPolarHBondContact O-CB 3.43Å; I482-R486 PolarHBondContact O-N 3.07Å; I482-I491 HydrophobicContact CD1-CD1 4.23Å; I482-F497 HydrophobicContact CG1-CE2 3.69Å; I482-F497 HydrophobicContact CG1-CZ 4.33Å; I482-R502 HydrophobicContact CG2-CG 4.39Å; I482-H505 HydrophobicContact CD1-CB 4.08Å; I482-H505 WeakPolarHBondContact CD1-ND1 3.34Å; I482-H505 HydrophobicContact CG1-CB 4.29Å; I482-Y538 HydrophobicContact CD1-CE2 3.85Å
483E92.5Very high94.2Very high22 Ų2221.2 Ų21.210%0.10310%0.102CC..Hα-helixtrans-61.5-35.6172.4-78.573.9-165.100112.9H481 A487 R502 I589H481-E483 VanDerWaalsContact C-N 3.29Å; H481-E483 PolarHBondContact O-N 3.21Å; E483-A487 WeakPolarHBondContact O-CB 3.45Å; E483-A487 PolarHBondContact O-N 2.86Å; E483-R502 IonicContact OE1-CZ 3.9Å; E483-R502 IonicContact OE1-NE 3.06Å; E483-R502 PolarHBondContact OE1-NE 3.1Å; E483-R502 IonicContact OE1-NH2 3.39Å; E483-R502 PolarHBondContact OE1-NH2 2.82Å; E483-I589 HydrophobicContact CB-CD1 4.27Å; E483-I589 HydrophobicContact CB-CG1 4.37Å
484W94.3Very high93.9Very high6 Ų622.1 Ų22.12%0.02311%0.105CC..Hα-helixtrans-67.7-44.8175.8178.791.2000110.6H481 I482 R486 A487 H488 Y489 F551 R588 E591 F593 M596H481-W484 HydrophobicContact CB-CB 4.12Å; H481-W484 WeakPolarHBondContact O-CB 3.4Å; H481-W484 PolarHBondContact O-N 2.72Å; I482-W484 VanDerWaalsContact C-N 3.27Å; I482-W484 PolarHBondContact O-N 2.69Å; W484-R486 VanDerWaalsContact C-N 3.33Å; W484-R486 PolarHBondContact O-N 3.23Å; W484-A487 PolarHBondContact O-N 3.26Å; W484-H488 AromaticContact CD1-CE1 3.39Å; W484-H488 AromaticContact CD1-ND1 3.52Å; W484-H488 AromaticContact CD2-ND1 3.73Å; W484-H488 AromaticContact CE2-CE1 3.54Å; W484-H488 AromaticContact CE2-CG 3.93Å; W484-H488 AromaticContact CE2-ND1 3.38Å; W484-H488 AromaticContact CG-ND1 3.77Å; W484-H488 HydrophobicContact CZ2-CB 4.49Å; W484-H488 AromaticContact CZ2-ND1 3.92Å; W484-H488 AromaticContact NE1-CE1 3.03Å; W484-H488 PolarHBondContact NE1-CE1 3.42Å; W484-H488 AromaticContact NE1-ND1 3.31Å; W484-H488 PolarHBondContact NE1-ND1 3.13Å; W484-H488 AromaticContact NE1-NE2 3.8Å; W484-H488 PolarHBondContact O-N 3Å; W484-H488 PolarHBondContact O-ND1 3.24Å; W484-Y489 AromaticContact CH2-CE2 3.97Å; W484-Y489 HydrophobicContact CH2-CE2 3.97Å; W484-Y489 AromaticContact CZ3-CE2 3.93Å; W484-Y489 HydrophobicContact CZ3-CE2 3.93Å; W484-F551 HydrophobicContact CH2-CE2 4.44Å; W484-F551 AromaticContact CH2-CZ 3.84Å; W484-F551 HydrophobicContact CH2-CZ 3.84Å; W484-F551 HydrophobicContact CZ3-CE1 4.43Å; W484-F551 AromaticContact CZ3-CZ 3.78Å; W484-F551 HydrophobicContact CZ3-CZ 3.78Å; W484-R588 VanDerWaalsContact CD1-O 3.29Å; W484-E591 PolarHBondContact NE1-O 2.81Å; W484-F593 HydrophobicContact CD2-CE2 4.34Å; W484-F593 AromaticContact CE2-CE2 3.55Å; W484-F593 HydrophobicContact CH2-CD2 4.04Å; W484-F593 AromaticContact CH2-CE2 3.93Å; W484-F593 HydrophobicContact CH2-CE2 3.93Å; W484-F593 AromaticContact CZ2-CD2 3.57Å; W484-F593 HydrophobicContact CZ2-CD2 3.57Å; W484-F593 AromaticContact CZ2-CE2 3.35Å; W484-F593 HydrophobicContact CZ2-CE2 3.35Å; W484-F593 AromaticContact NE1-CE2 3.79Å; W484-M596 HydrophobicContact CH2-CE 4.08Å; W484-M596 HydrophobicContact CZ2-CE 3.82Å; W484-M596 HydrophobicContact CZ2-SD 4.4Å
485L94.6Very high93.6Very high3 Ų322.2 Ų22.22%0.01611%0.106CC..Hα-helixtrans-60.3-43.8175.1-70.1176.2000111.6E479 H481 I482 A487 H488 Y489 Y538 L599E479-L485 HydrophobicContact CG-CD1 3.72Å; H481-L485 PolarHBondContact O-N 3.15Å; H481-L485 VanDerWaalsContact O-N 3.11Å; I482-L485 HydrophobicContact CD1-CB 4.36Å; I482-L485 HydrophobicContact CD1-CD1 4.17Å; I482-L485 PolarHBondContact O-N 2.82Å; L485-A487 VanDerWaalsContact C-N 3.31Å; L485-A487 PolarHBondContact O-N 3.42Å; L485-H488 PolarHBondContact O-N 3.04Å; L485-Y489 HydrophobicContact CD2-CD2 4.15Å; L485-Y489 HydrophobicContact CD2-CE2 4.24Å; L485-Y489 WeakPolarHBondContact O-CB 3.49Å; L485-Y489 PolarHBondContact O-N 3.29Å; L485-Y538 HydrophobicContact CD1-CD1 4.37Å; L485-Y538 HydrophobicContact CD1-CD2 4.31Å; L485-Y538 HydrophobicContact CD1-CG 4.17Å; L485-L599 HydrophobicContact CD2-CD1 3.95Å; L485-L599 HydrophobicContact CD2-CD2 4.06Å
486R94.4Very high93.3Very high24 Ų2427.7 Ų27.79%0.09113%0.127CC..Hα-helixtrans-62.6-36.9177.4-174.4-178.5171-149.7-14.6112.7I482 W484 I491 E492 F497 R569 F1301I482-R486 WeakPolarHBondContact O-CB 3.43Å; I482-R486 PolarHBondContact O-N 3.07Å; W484-R486 VanDerWaalsContact C-N 3.33Å; W484-R486 PolarHBondContact O-N 3.23Å; R486-I491 HydrophobicContact CB-CD1 3.78Å; R486-I491 HydrophobicContact CB-CG1 4.4Å; R486-I491 HydrophobicContact CG-CD1 4.1Å; R486-I491 HydrophobicContact CG-CG1 4.38Å; R486-E492 VanDerWaalsContact CG-OE1 3.26Å; R486-E492 WeakPolarHBondContact CG-OE1 3.46Å; R486-E492 IonicContact CZ-OE1 2.79Å; R486-E492 IonicContact NE-OE1 3.47Å; R486-E492 PolarHBondContact NE-OE1 3.3Å; R486-E492 IonicContact NH2-OE1 3.52Å; R486-F497 HydrophobicContact CG-CD2 4.5Å; R486-F497 VanDerWaalsContact NH1-CD1 3.27Å; R486-F497 VanDerWaalsContact NH1-CE1 3.3Å; R486-R569 PolarHBondContact O-NE 3.47Å; R486-F1301 VanDerWaalsContact NH2-CZ 3.29Å; R486-F1301 PolarHBondContact NH2-O 3.48Å
487A93.8Very high93Very high1 Ų128.4 Ų28.41%0.00813%0.131CC..Hα-helixtrans-70.7-35.4177.200000112.3E483 W484 L485 R569 Q571 I589 L1305E483-A487 WeakPolarHBondContact O-CB 3.45Å; E483-A487 PolarHBondContact O-N 2.86Å; W484-A487 PolarHBondContact O-N 3.26Å; L485-A487 VanDerWaalsContact C-N 3.31Å; L485-A487 PolarHBondContact O-N 3.42Å; A487-R569 WeakPolarHBondContact O-CD 3.46Å; A487-Q571 PolarHBondContact O-NE2 2.93Å; A487-I589 HydrophobicContact CB-CG2 3.55Å; A487-L1305 HydrophobicContact CB-CD1 4.23Å; A487-L1305 HydrophobicContact CB-CD2 4.13Å
488H94.8Very high92.7Very high4 Ų432.3 Ų32.32%0.01916%0.156CC..Hα-helixtrans-98-19.9-173.6-70.788.8000115.2W484 L485 P568 R569 I589W484-H488 AromaticContact CD1-CE1 3.39Å; W484-H488 AromaticContact CD1-ND1 3.52Å; W484-H488 AromaticContact CD2-ND1 3.73Å; W484-H488 AromaticContact CE2-CE1 3.54Å; W484-H488 AromaticContact CE2-CG 3.93Å; W484-H488 AromaticContact CE2-ND1 3.38Å; W484-H488 AromaticContact CG-ND1 3.77Å; W484-H488 HydrophobicContact CZ2-CB 4.49Å; W484-H488 AromaticContact CZ2-ND1 3.92Å; W484-H488 AromaticContact NE1-CE1 3.03Å; W484-H488 PolarHBondContact NE1-CE1 3.42Å; W484-H488 AromaticContact NE1-ND1 3.31Å; W484-H488 PolarHBondContact NE1-ND1 3.13Å; W484-H488 AromaticContact NE1-NE2 3.8Å; W484-H488 PolarHBondContact O-N 3Å; W484-H488 PolarHBondContact O-ND1 3.24Å; L485-H488 PolarHBondContact O-N 3.04Å; H488-P568 CarbonylContact O-C 3.54Å; H488-P568 WeakPolarHBondContact O-CA 3.39Å; H488-R569 PolarHBondContact O-N 2.9Å; H488-I589 PolarHBondContact CE1-O 3.18Å
489Y96.4Very high92.4Very high1 Ų133.4 Ų33.40%0.00416%0.161CC..BIsolated β-bridgetrans-133.9147.8-175.9-58.6-92.5000111.3W484 L485 I491 P568 R569 P597 L599 Q682W484-Y489 AromaticContact CH2-CE2 3.97Å; W484-Y489 HydrophobicContact CH2-CE2 3.97Å; W484-Y489 AromaticContact CZ3-CE2 3.93Å; W484-Y489 HydrophobicContact CZ3-CE2 3.93Å; L485-Y489 HydrophobicContact CD2-CD2 4.15Å; L485-Y489 HydrophobicContact CD2-CE2 4.24Å; L485-Y489 WeakPolarHBondContact O-CB 3.49Å; L485-Y489 PolarHBondContact O-N 3.29Å; Y489-I491 PolarHBondContact O-N 3.32Å; Y489-P568 HydrophobicContact CD1-CB 4.45Å; Y489-R569 PolarHBondContact O-NE 3.14Å; Y489-P597 PolarHBondContact OH-O 3.03Å; Y489-L599 HydrophobicContact CD1-CB 3.52Å; Y489-L599 HydrophobicContact CD1-CD2 4.06Å; Y489-L599 HydrophobicContact CD1-CG 4.44Å; Y489-L599 HydrophobicContact CD2-CB 4.31Å; Y489-L599 HydrophobicContact CD2-CD2 3.81Å; Y489-L599 HydrophobicContact CE1-CB 3.57Å; Y489-L599 HydrophobicContact CE2-CB 4.38Å; Y489-L599 HydrophobicContact CG-CB 3.91Å; Y489-L599 HydrophobicContact CG-CD2 3.56Å; Y489-L599 HydrophobicContact CG-CG 4.38Å; Y489-Q682 HydrophobicContact CE1-CB 4.12Å; Y489-Q682 HydrophobicContact CE1-CG 4.26Å; Y489-Q682 PolarHBondContact OH-NE2 3.13Å; Y489-Q682 VanDerWaalsContact OH-NE2 3.13Å
490N95.1Very high92.3Very high28 Ų2833.3 Ų33.315%0.1516%0.16CC..  trans-80.956.6-179.3-158.63.1000111.8E492 D493 K567 R569N490-E492 PolarHBondContact O-N 2.92Å; N490-D493 PolarHBondContact ND2-OD1 2.88Å; N490-D493 PolarHBondContact ND2-OD2 2.98Å; N490-D493 WeakPolarHBondContact O-CB 3.28Å; N490-D493 PolarHBondContact O-N 3.26Å; N490-D493 VanDerWaalsContact O-N 3.13Å; N490-D493 PolarHBondContact OD1-OD1 2.8Å; N490-K567 HydrophobicContact CB-CB 4.44Å; N490-K567 WeakPolarHBondContact CB-O 3Å; N490-K567 PolarHBondContact N-O 3.5Å; N490-R569 HydrophobicContact CB-CG 4.46Å; N490-R569 VanDerWaalsContact OD1-CZ 3.28Å; N490-R569 PolarHBondContact OD1-NH2 3.4Å
491I94.9Very high92.4Very high0 Ų030.5 Ų30.50%016%0.155CC..G310 helixtrans-61.4-24.9177.364.3174.8000111.5I482 R486 Y489 D493 F494 I495 F497 Y538 V566 L599 M601I482-I491 HydrophobicContact CD1-CD1 4.23Å; R486-I491 HydrophobicContact CB-CD1 3.78Å; R486-I491 HydrophobicContact CB-CG1 4.4Å; R486-I491 HydrophobicContact CG-CD1 4.1Å; R486-I491 HydrophobicContact CG-CG1 4.38Å; Y489-I491 PolarHBondContact O-N 3.32Å; I491-D493 PolarHBondContact O-N 3.3Å; I491-F494 PolarHBondContact O-N 3.05Å; I491-I495 WeakPolarHBondContact O-CG1 3.47Å; I491-I495 PolarHBondContact O-N 2.81Å; I491-I495 VanDerWaalsContact O-N 3.09Å; I491-F497 HydrophobicContact CD1-CD2 3.92Å; I491-F497 HydrophobicContact CD1-CE2 4.31Å; I491-Y538 HydrophobicContact CG2-CE1 4Å; I491-V566 HydrophobicContact CG2-CG1 4.15Å; I491-L599 HydrophobicContact CG2-CD2 3.96Å; I491-M601 HydrophobicContact CB-SD 4.14Å; I491-M601 HydrophobicContact CG2-SD 4.19Å
492E91.4Very high92.5Very high34 Ų3435 Ų3516%0.15917%0.168CC..G310 helixtrans-68.4-12.6177.5-65.4107.414300114.5R486 N490 F494 I495 F497 R569 R1233 F1301R486-E492 VanDerWaalsContact CG-OE1 3.26Å; R486-E492 WeakPolarHBondContact CG-OE1 3.46Å; R486-E492 IonicContact CZ-OE1 2.79Å; R486-E492 IonicContact NE-OE1 3.47Å; R486-E492 PolarHBondContact NE-OE1 3.3Å; R486-E492 IonicContact NH2-OE1 3.52Å; N490-E492 PolarHBondContact O-N 2.92Å; E492-F494 PolarHBondContact O-N 3.01Å; E492-I495 VanDerWaalsContact CA-O 3.29Å; E492-I495 WeakPolarHBondContact CA-O 3.37Å; E492-F497 HydrophobicContact CG-CB 4.11Å; E492-R569 IonicContact OE2-CZ 2.71Å; E492-R569 IonicContact OE2-NE 3.38Å; E492-R569 IonicContact OE2-NH2 3.52Å; E492-R569 PolarHBondContact OE2-NH2 3.21Å; E492-R1233 IonicContact OE1-CZ 3.2Å; E492-R1233 IonicContact OE1-NH1 3.06Å; E492-R1233 PolarHBondContact OE1-NH1 2.8Å; E492-R1233 IonicContact OE1-NH2 2.78Å; E492-R1233 PolarHBondContact OE1-NH2 2.9Å; E492-R1233 IonicContact OE2-CZ 3.38Å; E492-R1233 IonicContact OE2-NH2 2.92Å; E492-R1233 PolarHBondContact OE2-NH2 3.44Å; E492-F1301 HydrophobicContact CG-CZ 4.44Å
493D89.9Confident92.5Very high92 Ų9240.1 Ų40.149%0.49220%0.196SC..G310 helixtrans-66.8-20.9168.3-72.1-13.7000112.2N490 I491N490-D493 PolarHBondContact ND2-OD1 2.88Å; N490-D493 PolarHBondContact ND2-OD2 2.98Å; N490-D493 WeakPolarHBondContact O-CB 3.28Å; N490-D493 PolarHBondContact O-N 3.26Å; N490-D493 VanDerWaalsContact O-N 3.13Å; N490-D493 PolarHBondContact OD1-OD1 2.8Å; I491-D493 PolarHBondContact O-N 3.3Å
494F91.7Very high92.6Very high18 Ų1840.2 Ų40.28%0.07920%0.197CC..THydrogen-bonded Turntrans-112.3-30.9-175.3-61.7-79.9000113.2I491 E492 P565 V566 M601 L606 P638I491-F494 PolarHBondContact O-N 3.05Å; E492-F494 PolarHBondContact O-N 3.01Å; F494-P565 WeakPolarHBondContact CZ-O 3.31Å; F494-V566 HydrophobicContact CD2-CG1 4.43Å; F494-V566 HydrophobicContact CD2-CG2 4.24Å; F494-V566 HydrophobicContact CE2-CB 4.23Å; F494-V566 HydrophobicContact CE2-CG1 4.09Å; F494-V566 HydrophobicContact CE2-CG2 3.88Å; F494-M601 HydrophobicContact CB-CE 3.66Å; F494-M601 HydrophobicContact CB-CG 4.46Å; F494-M601 HydrophobicContact CB-SD 3.67Å; F494-M601 HydrophobicContact CD2-CG 4.09Å; F494-M601 HydrophobicContact CD2-SD 3.5Å; F494-M601 VanDerWaalsContact CD2-SD 3.5Å; F494-M601 HydrophobicContact CE2-SD 4.37Å; F494-M601 HydrophobicContact CG-CE 4.35Å; F494-M601 HydrophobicContact CG-CG 4.17Å; F494-M601 HydrophobicContact CG-SD 3.75Å; F494-L606 HydrophobicContact CB-CD1 4.18Å; F494-L606 HydrophobicContact CD1-CD1 3.87Å; F494-L606 HydrophobicContact CD1-CD2 4.33Å; F494-L606 HydrophobicContact CG-CD1 4.39Å; F494-P638 HydrophobicContact CD1-CB 4.33Å; F494-P638 HydrophobicContact CE1-CB 3.7Å; F494-P638 HydrophobicContact CZ-CB 4.39Å
495I92.4Very high92.8Very high2 Ų240 Ų401%0.0120%0.196CC..  trans-136.6148.4-175.562168.3000113.5E43 I491 E492 F497 M601 T603E43-I495 WeakPolarHBondContact OE1-CA 3.37Å; I491-I495 WeakPolarHBondContact O-CG1 3.47Å; I491-I495 PolarHBondContact O-N 2.81Å; I491-I495 VanDerWaalsContact O-N 3.09Å; E492-I495 VanDerWaalsContact CA-O 3.29Å; E492-I495 WeakPolarHBondContact CA-O 3.37Å; I495-F497 PolarHBondContact O-N 3.16Å; I495-F497 VanDerWaalsContact O-N 3.15Å; I495-M601 HydrophobicContact CD1-CE 4.35Å; I495-M601 HydrophobicContact CG1-CE 4.22Å; I495-M601 HydrophobicContact CG2-CE 3.8Å; I495-T603 HydrophobicContact CG2-CG2 3.57Å
496Y89.9Confident92.9Very high115 Ų11539.9 Ų39.945%0.45120%0.195SC..  trans-8491.1166.8-71.3-97.5000110.1L15 E43 T498 H499 H500L15-Y496 HydrophobicContact CD1-CD1 4.19Å; L15-Y496 HydrophobicContact CD1-CD2 3.43Å; L15-Y496 VanDerWaalsContact CD1-CD2 3.43Å; L15-Y496 HydrophobicContact CD1-CE1 3.72Å; L15-Y496 HydrophobicContact CD1-CE2 2.91Å; L15-Y496 HydrophobicContact CD1-CG 4.05Å; L15-Y496 VanDerWaalsContact CD1-OH 3.29Å; L15-Y496 WeakPolarHBondContact CD1-OH 3.27Å; L15-Y496 HydrophobicContact CG-CE2 4.32Å; E43-Y496 HydrophobicContact CG-CD2 4.37Å; E43-Y496 PolarHBondContact OE1-N 3.04Å; Y496-T498 PolarHBondContact O-N 2.86Å; Y496-H499 WeakPolarHBondContact O-CB 3.49Å; Y496-H499 PolarHBondContact O-N 2.76Å; Y496-H500 PolarHBondContact O-CD2 2.94Å
497F90.3Very high92.9Very high18 Ų1839.3 Ų39.38%0.07920%0.195CC..G310 helixtrans-44.3-41.9-170.7-176.9-101.5000115.3I482 R486 I491 E492 I495 H499 H500I482-F497 HydrophobicContact CG1-CE2 3.69Å; I482-F497 HydrophobicContact CG1-CZ 4.33Å; R486-F497 HydrophobicContact CG-CD2 4.5Å; R486-F497 VanDerWaalsContact NH1-CD1 3.27Å; R486-F497 VanDerWaalsContact NH1-CE1 3.3Å; I491-F497 HydrophobicContact CD1-CD2 3.92Å; I491-F497 HydrophobicContact CD1-CE2 4.31Å; E492-F497 HydrophobicContact CG-CB 4.11Å; I495-F497 PolarHBondContact O-N 3.16Å; I495-F497 VanDerWaalsContact O-N 3.15Å; F497-H499 PolarHBondContact O-N 2.86Å; F497-H499 VanDerWaalsContact O-N 3.16Å; F497-H500 PolarHBondContact O-N 2.84Å; F497-H500 VanDerWaalsContact O-O 3.12Å
498T88.1Confident93Very high97 Ų9739.3 Ų39.360%0.59519%0.194SC*.G310 helixtrans-67.5-13.6-178.952.20000114.7Y496 F1301Y496-T498 PolarHBondContact O-N 2.86Å; T498-F1301 HydrophobicContact CG2-CE2 4.31Å
499H89.2Confident92.9Very high40 Ų4040 Ų4019%0.18520%0.197CC..G310 helixtrans-96.80.5178.9-64.3-85.6000113.1V39 T40 E43 Y496 F497V39-H499 WeakPolarHBondContact CG1-NE2 3.31Å; T40-H499 PolarHBondContact OG1-ND1 2.88Å; E43-H499 HydrophobicContact CG-CB 4.39Å; Y496-H499 WeakPolarHBondContact O-CB 3.49Å; Y496-H499 PolarHBondContact O-N 2.76Å; F497-H499 PolarHBondContact O-N 2.86Å; F497-H499 VanDerWaalsContact O-N 3.16Å
500H92.3Very high92.9Very high15 Ų1540 Ų407%0.06920%0.197CC..SBendtrans-115127.1173-61.9-82.7000109.3E43 Y496 F497 E504 T535E43-H500 IonicContact OE1-NE2 2.63Å; E43-H500 PolarHBondContact OE1-NE2 3.48Å; Y496-H500 PolarHBondContact O-CD2 2.94Å; F497-H500 PolarHBondContact O-N 2.84Å; F497-H500 VanDerWaalsContact O-O 3.12Å; H500-E504 WeakPolarHBondContact CA-OE2 3.17Å; H500-T535 WeakPolarHBondContact ND1-CB 3.42Å; H500-T535 PolarHBondContact ND1-OG1 3.17Å
501A91.8Very high93Very high43 Ų4338.8 Ų38.836%0.35519%0.19SC..  trans-75.9150.5177.400000110.5N503 E504 H505A501-N503 WeakPolarHBondContact CB-OD1 3.3Å; A501-N503 PolarHBondContact O-N 2.81Å; A501-E504 HydrophobicContact CB-CG 3.96Å; A501-E504 PolarHBondContact N-OE2 3.11Å; A501-E504 VanDerWaalsContact O-CB 3.31Å; A501-E504 WeakPolarHBondContact O-CB 3.29Å; A501-E504 PolarHBondContact O-N 2.9Å; A501-H505 PolarHBondContact O-CD2 2.94Å
502R91.2Very high93Very high169 Ų16940.8 Ų40.864%0.63820%0.201SC*.G310 helixtrans-54.3-33-177.2-70.7177168167-6.5114I482 E483 E504I482-R502 HydrophobicContact CG2-CG 4.39Å; E483-R502 IonicContact OE1-CZ 3.9Å; E483-R502 IonicContact OE1-NE 3.06Å; E483-R502 PolarHBondContact OE1-NE 3.1Å; E483-R502 IonicContact OE1-NH2 3.39Å; E483-R502 PolarHBondContact OE1-NH2 2.82Å; R502-E504 VanDerWaalsContact C-N 3.29Å; R502-E504 PolarHBondContact O-N 3.38Å
503N93.3Very high93.2Very high111 Ų11139.3 Ų39.359%0.59419%0.194SC*.G310 helixtrans-85.46.7178.267.4-38.9000113.6A501 K534A501-N503 WeakPolarHBondContact CB-OD1 3.3Å; A501-N503 PolarHBondContact O-N 2.81Å; N503-K534 WeakPolarHBondContact O-CD 3.26Å; N503-K534 PolarHBondContact O-NZ 3.08Å
504E95.3Very high93.3Very high24 Ų2436 Ų3611%0.11218%0.179CC..G310 helixtrans-98.50.8177.4-62.7176.3154.700112.5R44 H500 A501 R502 K534 T535 C536R44-E504 IonicContact CZ-OE1 2.77Å; R44-E504 VanDerWaalsContact CZ-OE1 3.23Å; R44-E504 IonicContact CZ-OE2 3.71Å; R44-E504 IonicContact NH1-OE1 3.69Å; R44-E504 PolarHBondContact NH1-OE1 2.83Å; R44-E504 IonicContact NH1-OE2 2.75Å; R44-E504 PolarHBondContact NH1-OE2 3.37Å; R44-E504 VanDerWaalsContact NH2-CD 3.33Å; R44-E504 IonicContact NH2-OE1 2.67Å; R44-E504 PolarHBondContact NH2-OE1 3.26Å; R44-E504 IonicContact NH2-OE2 3.83Å; H500-E504 WeakPolarHBondContact CA-OE2 3.17Å; A501-E504 HydrophobicContact CB-CG 3.96Å; A501-E504 PolarHBondContact N-OE2 3.11Å; A501-E504 VanDerWaalsContact O-CB 3.31Å; A501-E504 WeakPolarHBondContact O-CB 3.29Å; A501-E504 PolarHBondContact O-N 2.9Å; R502-E504 VanDerWaalsContact C-N 3.29Å; R502-E504 PolarHBondContact O-N 3.38Å; E504-K534 CarbonylContact O-C 3.46Å; E504-K534 WeakPolarHBondContact O-CA 2.91Å; E504-K534 WeakPolarHBondContact O-CB 3.08Å; E504-T535 HydrophobicContact CB-CG2 4.22Å; E504-T535 WeakPolarHBondContact CB-OG1 3.3Å; E504-T535 PolarHBondContact O-N 3.1Å; E504-C536 PolarHBondContact O-N 3.47Å
505H97.2Very high93.1Very high1 Ų136.1 Ų36.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-97.9137.7178.6-61.3-88.7000111E479 I482 A501 Y538E479-H505 HydrophobicContact CB-CB 4.09Å; E479-H505 PolarHBondContact N-O 2.8Å; I482-H505 HydrophobicContact CD1-CB 4.08Å; I482-H505 WeakPolarHBondContact CD1-ND1 3.34Å; I482-H505 HydrophobicContact CG1-CB 4.29Å; A501-H505 PolarHBondContact O-CD2 2.94Å; H505-Y538 HydrophobicContact CB-CE2 3.87Å; H505-Y538 AromaticContact ND1-CE2 3.48Å; H505-Y538 WeakPolarHBondContact ND1-CE2 3.47Å; H505-Y538 AromaticContact ND1-CZ 3.67Å; H505-Y538 PolarHBondContact ND1-OH 3.06Å
506V96.7Very high92.9Very high1 Ų138 Ų381%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-141.5142.8-178.876.30000111.2F460 L476 R477 K534 C536 I537 Y538F460-V506 HydrophobicContact CD2-CG2 4.29Å; F460-V506 HydrophobicContact CE2-CG2 4.42Å; L476-V506 HydrophobicContact CB-CG2 3.58Å; L476-V506 HydrophobicContact CD2-CG1 3.72Å; L476-V506 HydrophobicContact CD2-CG2 4.16Å; R477-V506 WeakPolarHBondContact O-CG2 3.22Å; V506-K534 HydrophobicContact CB-CD 4.33Å; V506-K534 HydrophobicContact CB-CG 4.12Å; V506-K534 HydrophobicContact CG1-CB 4.23Å; V506-K534 HydrophobicContact CG1-CG 4.24Å; V506-C536 WeakPolarHBondContact CG1-O 3.47Å; V506-C536 PolarHBondContact N-O 2.86Å; V506-I537 HydrophobicContact CG1-CB 4.39Å; V506-I537 HydrophobicContact CG1-CG1 3.64Å; V506-I537 CarbonylContact O-C 3.46Å; V506-I537 WeakPolarHBondContact O-CA 3.47Å; V506-Y538 WeakPolarHBondContact O-CD2 3.49Å; V506-Y538 PolarHBondContact O-N 3.28Å
507S95.5Very high93Very high11 Ų1132.9 Ų32.98%0.07717%0.174CC..EExtended strand (participates in β ladder)trans-100.4129.7174.4-79.70000110.1L476 R477 E479 Y538L476-S507 CarbonylContact C-O 3.58Å; L476-S507 WeakPolarHBondContact CA-O 3.42Å; R477-S507 PolarHBondContact N-O 3.2Å; R477-S507 PolarHBondContact O-N 2.76Å; E479-S507 PolarHBondContact OE2-OG 3.26Å; S507-Y538 CarbonylContact C-O 3.58Å; S507-Y538 WeakPolarHBondContact CA-O 3.4Å
508L96.1Very high93Very high1 Ų133 Ų331%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-86.8120.7179.5-176.364.1000109.4L476 H510 F511 I537 Y538 Y539 I557L476-L508 HydrophobicContact CD2-CD1 4.1Å; L476-L508 HydrophobicContact CG-CD1 3.8Å; L508-H510 WeakPolarHBondContact CD1-O 3.3Å; L508-F511 HydrophobicContact CD1-CB 4.17Å; L508-F511 HydrophobicContact CD2-CB 3.98Å; L508-F511 HydrophobicContact CG-CB 4.38Å; L508-I537 HydrophobicContact CB-CG2 3.85Å; L508-I537 HydrophobicContact CD2-CG2 4.28Å; L508-Y538 WeakPolarHBondContact CB-O 2.85Å; L508-Y538 PolarHBondContact N-O 3.1Å; L508-Y539 WeakPolarHBondContact O-CD2 3.41Å; L508-I557 HydrophobicContact CD2-CD1 3.77Å; L508-I557 HydrophobicContact CD2-CG2 4.42Å
509Y93.1Very high93Very high20 Ų2029.5 Ų29.58%0.07815%0.154CC..EExtended strand (participates in β ladder)trans-91.6-49.7175.7-73.9-3.1000110.9D443 I475 R477 R553 T555D443-Y509 WeakPolarHBondContact OD2-CD2 3.04Å; I475-Y509 PolarHBondContact O-N 3.4Å; R477-Y509 HydrophobicContact CB-CD2 4.44Å; R477-Y509 HydrophobicContact CB-CE1 4.16Å; R477-Y509 HydrophobicContact CB-CE2 4.01Å; R477-Y509 WeakPolarHBondContact CD-OH 3.5Å; R477-Y509 HydrophobicContact CG-CE2 4.46Å; Y509-R553 HydrophobicContact CD2-CB 4.46Å; Y509-R553 HydrophobicContact CE2-CB 4.33Å; Y509-T555 PolarHBondContact O-N 2.86Å
510H95.6Very high93Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-136.7139.5-175.2-48.8-60.8000110.6F440 D443 A474 I475 L508 R553 T555F440-H510 HydrophobicContact CD2-CB 3.47Å; F440-H510 VanDerWaalsContact CD2-CB 3.47Å; F440-H510 AromaticContact CD2-CD2 3.91Å; F440-H510 AromaticContact CD2-CG 3.47Å; F440-H510 VanDerWaalsContact CD2-CG 3.47Å; F440-H510 AromaticContact CD2-ND1 3.95Å; F440-H510 HydrophobicContact CE2-CB 3.51Å; F440-H510 AromaticContact CE2-CG 3.99Å; D443-H510 IonicContact OD2-NE2 2.74Å; D443-H510 PolarHBondContact OD2-NE2 3.21Å; D443-H510 VanDerWaalsContact OD2-NE2 3.12Å; A474-H510 CarbonylContact C-O 3.53Å; A474-H510 VanDerWaalsContact CA-O 3.27Å; A474-H510 WeakPolarHBondContact CA-O 3.29Å; I475-H510 HydrophobicContact CB-CB 4.23Å; I475-H510 PolarHBondContact N-O 3.41Å; I475-H510 PolarHBondContact O-N 3.25Å; L508-H510 WeakPolarHBondContact CD1-O 3.3Å; H510-R553 PolarHBondContact CE1-O 3.26Å; H510-T555 VanDerWaalsContact CE1-CG2 3.47Å; H510-T555 WeakPolarHBondContact CE1-CG2 3.27Å; H510-T555 VanDerWaalsContact ND1-CG2 3.3Å; H510-T555 WeakPolarHBondContact ND1-CG2 3.5Å; H510-T555 PolarHBondContact ND1-OG1 2.95Å
511F97.1Very high93.1Very high2 Ų229 Ų291%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-149.3115.3170.2-174.4-75.5000108.8A474 L508 L513 T521 F524 L525 I528 I557 T558 C559A474-F511 HydrophobicContact CB-CD2 3.75Å; A474-F511 HydrophobicContact CB-CE2 4.37Å; L508-F511 HydrophobicContact CD1-CB 4.17Å; L508-F511 HydrophobicContact CD2-CB 3.98Å; L508-F511 HydrophobicContact CG-CB 4.38Å; F511-L513 HydrophobicContact CE1-CB 3.88Å; F511-T521 HydrophobicContact CE1-CG2 4.11Å; F511-T521 HydrophobicContact CZ-CG2 4.07Å; F511-F524 HydrophobicContact CD2-CE1 4.46Å; F511-F524 HydrophobicContact CE1-CD1 4.18Å; F511-F524 HydrophobicContact CE2-CB 4.44Å; F511-F524 AromaticContact CE2-CD1 3.49Å; F511-F524 HydrophobicContact CE2-CD1 3.49Å; F511-F524 VanDerWaalsContact CE2-CD1 3.49Å; F511-F524 AromaticContact CE2-CE1 3.82Å; F511-F524 HydrophobicContact CE2-CE1 3.82Å; F511-F524 HydrophobicContact CE2-CG 4.01Å; F511-F524 HydrophobicContact CZ-CB 4.17Å; F511-F524 AromaticContact CZ-CD1 3.29Å; F511-F524 HydrophobicContact CZ-CD1 3.29Å; F511-F524 AromaticContact CZ-CE1 3.91Å; F511-F524 HydrophobicContact CZ-CE1 3.91Å; F511-F524 AromaticContact CZ-CG 3.99Å; F511-F524 HydrophobicContact CZ-CG 3.99Å; F511-L525 HydrophobicContact CD2-CD2 3.91Å; F511-L525 HydrophobicContact CE2-CD2 3.56Å; F511-L525 HydrophobicContact CE2-CG 3.95Å; F511-L525 HydrophobicContact CZ-CD2 4.35Å; F511-L525 HydrophobicContact CZ-CG 4.31Å; F511-I528 HydrophobicContact CD2-CD1 4.46Å; F511-I528 HydrophobicContact CE2-CD1 4.12Å; F511-I557 HydrophobicContact CB-CB 4Å; F511-I557 HydrophobicContact CB-CG2 3.91Å; F511-I557 WeakPolarHBondContact O-CA 3.45Å; F511-T558 WeakPolarHBondContact CD1-OG1 3.49Å; F511-T558 PolarHBondContact O-N 3.19Å; F511-C559 HydrophobicContact CD1-CB 3.54Å; F511-C559 VanDerWaalsContact CD1-SG 3.59Å; F511-C559 HydrophobicContact CD2-CB 4.4Å; F511-C559 HydrophobicContact CE1-CB 3.51Å; F511-C559 HydrophobicContact CE2-CB 4.35Å; F511-C559 HydrophobicContact CG-CB 4.01Å; F511-C559 WeakPolarHBondContact CG-SG 3.43Å; F511-C559 HydrophobicContact CZ-CB 3.91Å
512L95.4Very high93Very high42 Ų4229.2 Ų29.222%0.2214%0.144CC..EExtended strand (participates in β ladder)trans-127.5125.7176.9-17963.5000108.5L428 V429 G472 V473 T558L428-L512 HydrophobicContact CD2-CD2 4.2Å; L428-L512 HydrophobicContact CD2-CG 4.44Å; L428-L512 HydrophobicContact CG-CD2 3.88Å; L428-L512 HydrophobicContact CG-CG 4.47Å; V429-L512 HydrophobicContact CG1-CD2 3.82Å; G472-L512 CarbonylContact C-O 3.57Å; G472-L512 WeakPolarHBondContact CA-O 3.39Å; V473-L512 HydrophobicContact CG1-CB 4.11Å; V473-L512 PolarHBondContact N-O 2.88Å; V473-L512 PolarHBondContact O-N 3.24Å; L512-T558 HydrophobicContact CD1-CG2 3.78Å
513L94.8Very high93Very high3 Ų322.1 Ų22.12%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-127.9133.5172.9-175.659.8000107.8F412 A464 F511 F517 F524 T558F412-L513 HydrophobicContact CE2-CD1 4.33Å; F412-L513 HydrophobicContact CZ-CD1 4.43Å; A464-L513 HydrophobicContact CB-CD1 4.39Å; F511-L513 HydrophobicContact CE1-CB 3.88Å; L513-F517 HydrophobicContact CD1-CB 4.04Å; L513-F517 WeakPolarHBondContact CD2-O 3.45Å; L513-F517 HydrophobicContact CG-CB 4.21Å; L513-F524 HydrophobicContact CD1-CD1 4.27Å; L513-T558 PolarHBondContact N-OG1 3.09Å; L513-T558 VanDerWaalsContact N-OG1 3.1Å
514A91.9Very high93.1Very high22 Ų2216.8 Ų16.818%0.1829%0.09CC..  trans-59141.1178.900000110.8V471 N516 F517 Q518V471-A514 HydrophobicContact CB-CB 4.39Å; V471-A514 VanDerWaalsContact O-CB 3.25Å; V471-A514 WeakPolarHBondContact O-CB 3.46Å; V471-A514 PolarHBondContact O-N 2.81Å; A514-N516 WeakPolarHBondContact CB-OD1 3.49Å; A514-N516 PolarHBondContact O-N 2.74Å; A514-F517 PolarHBondContact O-N 2.95Å; A514-Q518 PolarHBondContact O-N 3.29Å
515A87.6Confident93.1Very high21 Ų2115.7 Ų15.717%0.1749%0.085CC..G310 helixtrans-53.4-33.9-173.300000114.3L239 F240 F517 Q518L239-A515 HydrophobicContact CD1-CB 3.76Å; L239-A515 HydrophobicContact CD2-CB 4.32Å; L239-A515 HydrophobicContact CG-CB 3.63Å; L239-A515 WeakPolarHBondContact O-CB 3.4Å; F240-A515 HydrophobicContact CD1-CB 4.32Å; F240-A515 HydrophobicContact CE1-CB 4.36Å; A515-F517 PolarHBondContact O-N 3.27Å; A515-Q518 WeakPolarHBondContact O-CB 3.44Å; A515-Q518 PolarHBondContact O-N 3.21Å
516N89.2Confident92.9Very high42 Ų4216.2 Ų16.223%0.2259%0.087CC..G310 helixtrans-73.4-8.417958-29000114.7H404 A514H404-N516 HydrophobicContact CB-CB 4.28Å; H404-N516 VanDerWaalsContact CD2-CB 3.41Å; H404-N516 WeakPolarHBondContact CD2-CB 3.44Å; A514-N516 WeakPolarHBondContact CB-OD1 3.49Å; A514-N516 PolarHBondContact O-N 2.74Å
517F91.5Very high92.8Very high8 Ų816.4 Ų16.44%0.0359%0.088CC..G310 helixtrans-120.711.9175.7-68.5-77.5000112.8C406 E407 F412 A466 V471 L513 A514 A515 S519 R520C406-F517 HydrophobicContact CB-CE1 3.93Å; C406-F517 HydrophobicContact CB-CE2 4.34Å; C406-F517 HydrophobicContact CB-CZ 3.73Å; E407-F517 WeakPolarHBondContact OE1-CA 3.45Å; F412-F517 HydrophobicContact CD2-CD1 4.07Å; F412-F517 HydrophobicContact CE2-CB 4.32Å; F412-F517 HydrophobicContact CE2-CD1 4.38Å; A466-F517 HydrophobicContact CB-CD1 4.28Å; A466-F517 HydrophobicContact CB-CE1 3.54Å; A466-F517 HydrophobicContact CB-CE2 4.11Å; A466-F517 HydrophobicContact CB-CZ 3.44Å; A466-F517 VanDerWaalsContact CB-CZ 3.44Å; V471-F517 HydrophobicContact CB-CD2 3.74Å; V471-F517 HydrophobicContact CB-CE2 3.99Å; V471-F517 HydrophobicContact CG1-CD2 3.86Å; V471-F517 HydrophobicContact CG1-CE2 3.55Å; V471-F517 HydrophobicContact CG1-CZ 4.36Å; V471-F517 HydrophobicContact CG2-CD2 3.95Å; V471-F517 HydrophobicContact CG2-CE2 4.27Å; V471-F517 HydrophobicContact CG2-CG 4.26Å; L513-F517 HydrophobicContact CD1-CB 4.04Å; L513-F517 WeakPolarHBondContact CD2-O 3.45Å; L513-F517 HydrophobicContact CG-CB 4.21Å; A514-F517 PolarHBondContact O-N 2.95Å; A515-F517 PolarHBondContact O-N 3.27Å; F517-S519 PolarHBondContact O-N 3.05Å; F517-S519 VanDerWaalsContact O-N 3.09Å; F517-R520 WeakPolarHBondContact O-CB 3.39Å; F517-R520 PolarHBondContact O-N 2.63Å
518Q90.8Very high92.8Very high21 Ų2116 Ų1610%0.0988%0.084CC..G310 helixtrans-60.2-25.5-172.3-176.263.312.300113.2V386 E407 A514 A515 R520 T521 T558V386-Q518 HydrophobicContact CG1-CG 4.2Å; V386-Q518 HydrophobicContact CG2-CB 3.81Å; V386-Q518 HydrophobicContact CG2-CG 3.87Å; E407-Q518 PolarHBondContact OE1-N 2.87Å; A514-Q518 PolarHBondContact O-N 3.29Å; A515-Q518 WeakPolarHBondContact O-CB 3.44Å; A515-Q518 PolarHBondContact O-N 3.21Å; Q518-R520 PolarHBondContact O-N 2.99Å; Q518-T521 WeakPolarHBondContact O-CB 3.11Å; Q518-T521 PolarHBondContact O-N 3.14Å; Q518-T521 PolarHBondContact O-OG1 3.43Å; Q518-T558 PolarHBondContact NE2-O 2.92Å
519S87.3Confident92.8Very high23 Ų2316.1 Ų16.116%0.1619%0.085CC..G310 helixtrans-70.3-21.1175.178.90000112.7S384 E407 F517 T521S384-S519 WeakPolarHBondContact O-CB 3.41Å; E407-S519 WeakPolarHBondContact OE1-CB 3.39Å; E407-S519 PolarHBondContact OE1-N 3.19Å; E407-S519 PolarHBondContact OE1-OG 2.87Å; E407-S519 PolarHBondContact OE2-OG 2.78Å; F517-S519 PolarHBondContact O-N 3.05Å; F517-S519 VanDerWaalsContact O-N 3.09Å; S519-T521 VanDerWaalsContact C-N 3.26Å; S519-T521 PolarHBondContact O-N 3.43Å
520R89.9Confident92.8Very high44 Ų4416 Ų1617%0.1669%0.085CC..G310 helixtrans-82.45.8175.9-53.7-56.8180165.73.7114.4E407 F412 F517 Q518 E522 L523 F524E407-R520 PolarHBondContact O-NH2 3.2Å; E407-R520 WeakPolarHBondContact OE2-CG 3.49Å; E407-R520 IonicContact OE2-NE 3.47Å; E407-R520 PolarHBondContact OE2-NE 2.84Å; F412-R520 HydrophobicContact CD1-CB 4.48Å; F412-R520 HydrophobicContact CD2-CB 4.13Å; F412-R520 HydrophobicContact CD2-CG 4.06Å; F412-R520 HydrophobicContact CE1-CB 4.15Å; F412-R520 HydrophobicContact CE2-CB 3.78Å; F412-R520 HydrophobicContact CE2-CG 4.19Å; F412-R520 HydrophobicContact CG-CB 4.45Å; F412-R520 HydrophobicContact CG-CG 4.36Å; F412-R520 HydrophobicContact CZ-CB 3.78Å; F517-R520 WeakPolarHBondContact O-CB 3.39Å; F517-R520 PolarHBondContact O-N 2.63Å; Q518-R520 PolarHBondContact O-N 2.99Å; R520-E522 VanDerWaalsContact C-N 3.3Å; R520-E522 PolarHBondContact O-N 3.27Å; R520-L523 WeakPolarHBondContact O-CB 3.35Å; R520-L523 PolarHBondContact O-N 3.34Å; R520-L523 VanDerWaalsContact O-N 3.11Å; R520-F524 PolarHBondContact O-N 3.4Å
521T92.9Very high92.6Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-53.2-45.7178.7-62.30000112.7F511 Q518 S519 L523 F524 L525 C559 K562F511-T521 HydrophobicContact CE1-CG2 4.11Å; F511-T521 HydrophobicContact CZ-CG2 4.07Å; Q518-T521 WeakPolarHBondContact O-CB 3.11Å; Q518-T521 PolarHBondContact O-N 3.14Å; Q518-T521 PolarHBondContact O-OG1 3.43Å; S519-T521 VanDerWaalsContact C-N 3.26Å; S519-T521 PolarHBondContact O-N 3.43Å; T521-L523 VanDerWaalsContact C-N 3.32Å; T521-L523 PolarHBondContact O-N 3.02Å; T521-F524 PolarHBondContact O-N 3.06Å; T521-L525 HydrophobicContact CG2-CD1 4.16Å; T521-L525 WeakPolarHBondContact O-CG 3.31Å; T521-L525 PolarHBondContact O-N 2.72Å; T521-C559 HydrophobicContact CG2-CB 3.28Å; T521-K562 HydrophobicContact CG2-CB 4.45Å; T521-K562 HydrophobicContact CG2-CG 3.73Å
522E90.9Very high92.5Very high48 Ų4817.8 Ų17.822%0.2249%0.094CC..Hα-helixtrans-61.7-42.5179.3-71.3169.6-17400111.5R520 L525 R526 K562 L607R520-E522 VanDerWaalsContact C-N 3.3Å; R520-E522 PolarHBondContact O-N 3.27Å; E522-L525 PolarHBondContact O-N 2.92Å; E522-R526 WeakPolarHBondContact O-CB 3.49Å; E522-R526 VanDerWaalsContact O-CG 3.25Å; E522-R526 WeakPolarHBondContact O-CG 3.25Å; E522-R526 PolarHBondContact O-N 2.84Å; E522-K562 HydrophobicContact CG-CD 3.79Å; E522-K562 HydrophobicContact CG-CG 4.19Å; E522-K562 WeakPolarHBondContact OE1-CE 3.48Å; E522-K562 IonicContact OE1-NZ 2.96Å; E522-K562 PolarHBondContact OE1-NZ 3.18Å; E522-L607 HydrophobicContact CG-CD2 4.31Å
523L90.8Very high92.3Very high19 Ų1921.3 Ų21.310%0.09911%0.108CC..Hα-helixtrans-64.1-43.9178.1-17273.5000111.2T94 F412 R520 T521 R526 E527T94-L523 HydrophobicContact CG2-CD1 3.74Å; T94-L523 HydrophobicContact CG2-CD2 3.97Å; T94-L523 HydrophobicContact CG2-CG 4.1Å; F412-L523 HydrophobicContact CD1-CD2 3.54Å; F412-L523 HydrophobicContact CD1-CG 4.41Å; F412-L523 HydrophobicContact CE1-CD2 4.04Å; F412-L523 HydrophobicContact CG-CD2 4.34Å; R520-L523 WeakPolarHBondContact O-CB 3.35Å; R520-L523 PolarHBondContact O-N 3.34Å; R520-L523 VanDerWaalsContact O-N 3.11Å; T521-L523 VanDerWaalsContact C-N 3.32Å; T521-L523 PolarHBondContact O-N 3.02Å; L523-R526 PolarHBondContact O-N 3.28Å; L523-E527 WeakPolarHBondContact O-CB 3.49Å; L523-E527 WeakPolarHBondContact O-CG 3.48Å; L523-E527 PolarHBondContact O-N 2.87Å
524F95.4Very high92.3Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-62-46.1178.2-170.3-168.2000111.3F412 V414 A464 A474 F511 L513 R520 T521 E527 I528F412-F524 HydrophobicContact CE1-CB 4.26Å; F412-F524 HydrophobicContact CZ-CB 4.13Å; F412-F524 HydrophobicContact CZ-CG 4.5Å; V414-F524 HydrophobicContact CB-CD2 4.28Å; V414-F524 HydrophobicContact CG1-CD2 3.71Å; V414-F524 HydrophobicContact CG1-CE2 3.67Å; V414-F524 HydrophobicContact CG2-CD2 3.52Å; V414-F524 HydrophobicContact CG2-CE2 4.12Å; V414-F524 HydrophobicContact CG2-CG 4.32Å; A464-F524 HydrophobicContact CB-CD1 4.11Å; A464-F524 HydrophobicContact CB-CD2 4.26Å; A464-F524 HydrophobicContact CB-CE1 4Å; A464-F524 HydrophobicContact CB-CE2 4.13Å; A464-F524 HydrophobicContact CB-CG 4.27Å; A464-F524 HydrophobicContact CB-CZ 4.01Å; A474-F524 HydrophobicContact CB-CE1 4.42Å; A474-F524 HydrophobicContact CB-CZ 4.03Å; F511-F524 HydrophobicContact CD2-CE1 4.46Å; F511-F524 HydrophobicContact CE1-CD1 4.18Å; F511-F524 HydrophobicContact CE2-CB 4.44Å; F511-F524 AromaticContact CE2-CD1 3.49Å; F511-F524 HydrophobicContact CE2-CD1 3.49Å; F511-F524 VanDerWaalsContact CE2-CD1 3.49Å; F511-F524 AromaticContact CE2-CE1 3.82Å; F511-F524 HydrophobicContact CE2-CE1 3.82Å; F511-F524 HydrophobicContact CE2-CG 4.01Å; F511-F524 HydrophobicContact CZ-CB 4.17Å; F511-F524 AromaticContact CZ-CD1 3.29Å; F511-F524 HydrophobicContact CZ-CD1 3.29Å; F511-F524 AromaticContact CZ-CE1 3.91Å; F511-F524 HydrophobicContact CZ-CE1 3.91Å; F511-F524 AromaticContact CZ-CG 3.99Å; F511-F524 HydrophobicContact CZ-CG 3.99Å; L513-F524 HydrophobicContact CD1-CD1 4.27Å; R520-F524 PolarHBondContact O-N 3.4Å; T521-F524 PolarHBondContact O-N 3.06Å; F524-E527 PolarHBondContact O-N 3.1Å; F524-I528 HydrophobicContact CD2-CD1 3.68Å; F524-I528 HydrophobicContact CD2-CG1 3.92Å; F524-I528 HydrophobicContact CE2-CD1 3.59Å; F524-I528 HydrophobicContact CE2-CG1 3.85Å; F524-I528 HydrophobicContact CG-CD1 4.27Å; F524-I528 HydrophobicContact CZ-CD1 4.09Å; F524-I528 VanDerWaalsContact O-CG1 3.25Å; F524-I528 WeakPolarHBondContact O-CG1 3.48Å; F524-I528 PolarHBondContact O-N 3.18Å
525L96.1Very high92.4Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-63.4-41.5177.4-70.8172.5000112.8F511 T521 E522 I528 L529 I537 C559 K562 L607F511-L525 HydrophobicContact CD2-CD2 3.91Å; F511-L525 HydrophobicContact CE2-CD2 3.56Å; F511-L525 HydrophobicContact CE2-CG 3.95Å; F511-L525 HydrophobicContact CZ-CD2 4.35Å; F511-L525 HydrophobicContact CZ-CG 4.31Å; T521-L525 HydrophobicContact CG2-CD1 4.16Å; T521-L525 WeakPolarHBondContact O-CG 3.31Å; T521-L525 PolarHBondContact O-N 2.72Å; E522-L525 PolarHBondContact O-N 2.92Å; L525-I528 PolarHBondContact O-N 2.97Å; L525-L529 WeakPolarHBondContact O-CG 3.49Å; L525-L529 PolarHBondContact O-N 2.99Å; L525-I537 HydrophobicContact CD2-CD1 4.01Å; L525-C559 HydrophobicContact CD1-CB 4.05Å; L525-K562 HydrophobicContact CD1-CB 4.16Å; L525-L607 HydrophobicContact CB-CD1 3.59Å; L525-L607 HydrophobicContact CB-CD2 4.44Å; L525-L607 HydrophobicContact CD1-CD1 4.44Å; L525-L607 HydrophobicContact CD1-CD2 3.9Å
526R93.4Very high92.9Very high12 Ų1220.8 Ų20.85%0.04510%0.099CC..Hα-helixtrans-61.9-46.4176.3-74.8169.662.1-154.6-5.7111.7E66 E522 L523 I528 L529 R530 L607 M608E66-R526 IonicContact OE1-CZ 3.61Å; E66-R526 IonicContact OE1-NE 2.91Å; E66-R526 PolarHBondContact OE1-NE 3.39Å; E66-R526 IonicContact OE1-NH2 3.32Å; E66-R526 PolarHBondContact OE1-NH2 2.9Å; E522-R526 WeakPolarHBondContact O-CB 3.49Å; E522-R526 VanDerWaalsContact O-CG 3.25Å; E522-R526 WeakPolarHBondContact O-CG 3.25Å; E522-R526 PolarHBondContact O-N 2.84Å; L523-R526 PolarHBondContact O-N 3.28Å; R526-I528 VanDerWaalsContact C-N 3.32Å; R526-I528 PolarHBondContact O-N 2.69Å; R526-L529 WeakPolarHBondContact O-CB 3.47Å; R526-L529 PolarHBondContact O-N 2.93Å; R526-R530 WeakPolarHBondContact O-CB 3.4Å; R526-R530 PolarHBondContact O-N 2.75Å; R526-L607 HydrophobicContact CG-CB 3.99Å; R526-L607 HydrophobicContact CG-CD1 3.76Å; R526-M608 VanDerWaalsContact CZ-SD 3.53Å; R526-M608 PolarHBondContact NH1-SD 3.19Å
527E93.8Very high93.3Very high6 Ų618.8 Ų18.83%0.0289%0.088CC..Hα-helixtrans-64.2-36.7177-76.5-66.496.800112.5T93 T94 V414 L523 F524 R530 Q531T93-E527 PolarHBondContact OG1-OE1 3.13Å; T93-E527 PolarHBondContact OG1-OE2 2.69Å; T94-E527 HydrophobicContact CG2-CG 4.49Å; V414-E527 HydrophobicContact CB-CB 3.66Å; V414-E527 HydrophobicContact CB-CG 4.17Å; V414-E527 HydrophobicContact CG1-CB 3.87Å; V414-E527 HydrophobicContact CG2-CB 3.83Å; V414-E527 HydrophobicContact CG2-CG 4.16Å; L523-E527 WeakPolarHBondContact O-CB 3.49Å; L523-E527 WeakPolarHBondContact O-CG 3.48Å; L523-E527 PolarHBondContact O-N 2.87Å; F524-E527 PolarHBondContact O-N 3.1Å; E527-R530 IonicContact OE1-CZ 3.7Å; E527-R530 IonicContact OE1-NE 2.69Å; E527-R530 PolarHBondContact OE1-NE 2.53Å; E527-R530 IonicContact OE1-NH2 2.81Å; E527-R530 PolarHBondContact OE1-NH2 2.66Å; E527-R530 IonicContact OE2-CZ 3.43Å; E527-R530 IonicContact OE2-NE 3.61Å; E527-R530 IonicContact OE2-NH2 3.24Å; E527-R530 PolarHBondContact OE2-NH2 3.33Å; E527-Q531 VanDerWaalsContact O-CB 3.3Å; E527-Q531 WeakPolarHBondContact O-CB 3.44Å; E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.33Å; E527-Q531 PolarHBondContact O-N 3.22Å; E527-Q531 PolarHBondContact OE2-NE2 3.16Å
528I95.9Very high93.5Very high1 Ų118.4 Ų18.41%0.0059%0.087CC..Hα-helixtrans-59.7-51.2171.9-70.9163.5000110Y462 A474 L476 F511 F524 L525 R526 R530 Q531 S532Y462-I528 HydrophobicContact CD2-CG1 4.16Å; Y462-I528 HydrophobicContact CD2-CG2 4.05Å; Y462-I528 HydrophobicContact CE2-CG2 4.21Å; Y462-I528 HydrophobicContact CG-CG1 4.06Å; A474-I528 HydrophobicContact CB-CD1 3.58Å; L476-I528 HydrophobicContact CD1-CG2 3.79Å; L476-I528 HydrophobicContact CD2-CG2 3.69Å; L476-I528 HydrophobicContact CG-CG2 4.43Å; F511-I528 HydrophobicContact CD2-CD1 4.46Å; F511-I528 HydrophobicContact CE2-CD1 4.12Å; F524-I528 HydrophobicContact CD2-CD1 3.68Å; F524-I528 HydrophobicContact CD2-CG1 3.92Å; F524-I528 HydrophobicContact CE2-CD1 3.59Å; F524-I528 HydrophobicContact CE2-CG1 3.85Å; F524-I528 HydrophobicContact CG-CD1 4.27Å; F524-I528 HydrophobicContact CZ-CD1 4.09Å; F524-I528 VanDerWaalsContact O-CG1 3.25Å; F524-I528 WeakPolarHBondContact O-CG1 3.48Å; F524-I528 PolarHBondContact O-N 3.18Å; L525-I528 PolarHBondContact O-N 2.97Å; R526-I528 VanDerWaalsContact C-N 3.32Å; R526-I528 PolarHBondContact O-N 2.69Å; I528-R530 PolarHBondContact O-N 3.39Å; I528-Q531 PolarHBondContact O-N 2.77Å; I528-S532 WeakPolarHBondContact O-CB 3.37Å; I528-S532 PolarHBondContact O-N 2.62Å; I528-S532 PolarHBondContact O-OG 3.38Å
529L95.3Very high93.8Very high4 Ų417.5 Ų17.52%0.0218%0.082CC..Hα-helixtrans-56.4-49.8179-74169.5000111.4L525 R526 S532 K533 K534 I537 A604 L607L525-L529 WeakPolarHBondContact O-CG 3.49Å; L525-L529 PolarHBondContact O-N 2.99Å; R526-L529 WeakPolarHBondContact O-CB 3.47Å; R526-L529 PolarHBondContact O-N 2.93Å; L529-S532 PolarHBondContact O-OG 2.85Å; L529-K533 PolarHBondContact O-N 2.86Å; L529-K533 VanDerWaalsContact O-N 3.07Å; L529-K534 CarbonylContact C-O 3.55Å; L529-K534 WeakPolarHBondContact CB-O 3.45Å; L529-K534 HydrophobicContact CD2-CB 4.17Å; L529-K534 WeakPolarHBondContact CD2-O 3.47Å; L529-K534 PolarHBondContact O-N 3.04Å; L529-K534 VanDerWaalsContact O-O 3.06Å; L529-I537 HydrophobicContact CD1-CD1 4.31Å; L529-I537 HydrophobicContact CD2-CD1 3.74Å; L529-I537 HydrophobicContact CD2-CG1 3.71Å; L529-I537 HydrophobicContact CG-CD1 3.77Å; L529-I537 HydrophobicContact CG-CG1 4.33Å; L529-A604 HydrophobicContact CD1-CB 4.1Å; L529-L607 HydrophobicContact CD1-CD1 4.13Å
530R92.5Very high94.1Very high18 Ų1816.8 Ų16.87%0.0688%0.077CC..Hα-helixtrans-58.7-54178-172.5-173.765.377.25111.9E75 N76 R526 E527 I528 S532 K533E75-R530 WeakPolarHBondContact O-CG 3.17Å; E75-R530 PolarHBondContact O-NH1 3.16Å; N76-R530 PolarHBondContact O-NH1 3.25Å; N76-R530 PolarHBondContact O-NH2 3.27Å; N76-R530 PolarHBondContact OD1-O 2.79Å; N76-R530 VanDerWaalsContact OD1-O 3.1Å; R526-R530 WeakPolarHBondContact O-CB 3.4Å; R526-R530 PolarHBondContact O-N 2.75Å; E527-R530 IonicContact OE1-CZ 3.7Å; E527-R530 IonicContact OE1-NE 2.69Å; E527-R530 PolarHBondContact OE1-NE 2.53Å; E527-R530 IonicContact OE1-NH2 2.81Å; E527-R530 PolarHBondContact OE1-NH2 2.66Å; E527-R530 IonicContact OE2-CZ 3.43Å; E527-R530 IonicContact OE2-NE 3.61Å; E527-R530 IonicContact OE2-NH2 3.24Å; E527-R530 PolarHBondContact OE2-NH2 3.33Å; I528-R530 PolarHBondContact O-N 3.39Å; R530-S532 PolarHBondContact O-N 2.86Å; R530-K533 PolarHBondContact O-N 2.71Å
531Q93.1Very high94.3Very high26 Ų2615.1 Ų15.112%0.1217%0.072CC..Hα-helixtrans-71.7-27.6-175.5-67.5-17735.300113.8N76 V414 Y462 E527 I528 K533N76-Q531 VanDerWaalsContact CG-O 3.3Å; N76-Q531 PolarHBondContact ND2-O 3.41Å; N76-Q531 PolarHBondContact OD1-O 2.93Å; V414-Q531 PolarHBondContact O-NE2 3.48Å; Y462-Q531 HydrophobicContact CE1-CB 3.7Å; Y462-Q531 PolarHBondContact OH-O 3.36Å; E527-Q531 VanDerWaalsContact O-CB 3.3Å; E527-Q531 WeakPolarHBondContact O-CB 3.44Å; E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.33Å; E527-Q531 PolarHBondContact O-N 3.22Å; E527-Q531 PolarHBondContact OE2-NE2 3.16Å; I528-Q531 PolarHBondContact O-N 2.77Å; Q531-K533 VanDerWaalsContact C-N 3.31Å
532S93.2Very high94.2Very high13 Ų1315.7 Ų15.79%0.0918%0.075CC..Hα-helixtrans-85-8.3176.262.70000112.8Y462 I528 L529 R530 K534Y462-S532 WeakPolarHBondContact OH-CA 3.37Å; Y462-S532 VanDerWaalsContact OH-CB 3.25Å; Y462-S532 WeakPolarHBondContact OH-CB 3.21Å; Y462-S532 PolarHBondContact OH-N 3.08Å; I528-S532 WeakPolarHBondContact O-CB 3.37Å; I528-S532 PolarHBondContact O-N 2.62Å; I528-S532 PolarHBondContact O-OG 3.38Å; L529-S532 PolarHBondContact O-OG 2.85Å; R530-S532 PolarHBondContact O-N 2.86Å; S532-K534 PolarHBondContact O-N 3.01Å; S532-K534 WeakPolarHBondContact OG-CB 3.12Å; S532-K534 WeakPolarHBondContact OG-CG 3.48Å
533K91.9Very high94.2Very high116 Ų11613.7 Ų13.750%0.5047%0.066SC..THydrogen-bonded Turntrans5437-170.2-55.9-176.8175.6-175.60111.8N76 L529 R530 Q531N76-K533 WeakPolarHBondContact OD1-CE 3.23Å; L529-K533 PolarHBondContact O-N 2.86Å; L529-K533 VanDerWaalsContact O-N 3.07Å; R530-K533 PolarHBondContact O-N 2.71Å; Q531-K533 VanDerWaalsContact C-N 3.31Å
534K95.1Very high94.1Very high17 Ų1712.9 Ų12.97%0.0746%0.062CC..  trans-106152.7175.6-56.1-62.6174.6172.60108.9D478 N503 E504 V506 L529 S532D478-K534 VanDerWaalsContact OD1-CE 3.26Å; D478-K534 WeakPolarHBondContact OD1-CE 3.16Å; D478-K534 IonicContact OD1-NZ 3.59Å; D478-K534 PolarHBondContact OD1-NZ 3.47Å; D478-K534 IonicContact OD2-NZ 2.75Å; N503-K534 WeakPolarHBondContact O-CD 3.26Å; N503-K534 PolarHBondContact O-NZ 3.08Å; E504-K534 CarbonylContact O-C 3.46Å; E504-K534 WeakPolarHBondContact O-CA 2.91Å; E504-K534 WeakPolarHBondContact O-CB 3.08Å; V506-K534 HydrophobicContact CB-CD 4.33Å; V506-K534 HydrophobicContact CB-CG 4.12Å; V506-K534 HydrophobicContact CG1-CB 4.23Å; V506-K534 HydrophobicContact CG1-CG 4.24Å; L529-K534 CarbonylContact C-O 3.55Å; L529-K534 WeakPolarHBondContact CB-O 3.45Å; L529-K534 HydrophobicContact CD2-CB 4.17Å; L529-K534 WeakPolarHBondContact CD2-O 3.47Å; L529-K534 PolarHBondContact O-N 3.04Å; L529-K534 VanDerWaalsContact O-O 3.06Å; S532-K534 PolarHBondContact O-N 3.01Å; S532-K534 WeakPolarHBondContact OG-CB 3.12Å; S532-K534 WeakPolarHBondContact OG-CG 3.48Å
535T94.4Very high93.8Very high19 Ų1913.3 Ų13.312%0.1176%0.064CC..  trans-114.6-22.7-179.356.30000112.9H500 E504 T603H500-T535 WeakPolarHBondContact ND1-CB 3.42Å; H500-T535 PolarHBondContact ND1-OG1 3.17Å; E504-T535 HydrophobicContact CB-CG2 4.22Å; E504-T535 WeakPolarHBondContact CB-OG1 3.3Å; E504-T535 PolarHBondContact O-N 3.1Å; T535-T603 WeakPolarHBondContact O-CB 3.19Å; T535-T603 WeakPolarHBondContact O-CG2 3.32Å
536C97.2Very high93.4Very high0 Ų013.3 Ų13.30%06%0.064CC..EExtended strand (participates in β ladder)trans-134.1124.4-172.6-54.60000110.3E504 V506 Y538E504-C536 PolarHBondContact O-N 3.47Å; V506-C536 WeakPolarHBondContact CG1-O 3.47Å; V506-C536 PolarHBondContact N-O 2.86Å; C536-Y538 HydrophobicContact CB-CE2 3.79Å
537I97.3Very high92.5Very high0 Ų018.7 Ų18.70%09%0.094CC..EExtended strand (participates in β ladder)trans-104.6132.6171.1-71.6161000108.6L476 V506 L508 L525 L529 M601 T602L476-I537 HydrophobicContact CD2-CD1 4.37Å; L476-I537 HydrophobicContact CD2-CG1 4.21Å; V506-I537 HydrophobicContact CG1-CB 4.39Å; V506-I537 HydrophobicContact CG1-CG1 3.64Å; V506-I537 CarbonylContact O-C 3.46Å; V506-I537 WeakPolarHBondContact O-CA 3.47Å; L508-I537 HydrophobicContact CB-CG2 3.85Å; L508-I537 HydrophobicContact CD2-CG2 4.28Å; L525-I537 HydrophobicContact CD2-CD1 4.01Å; L529-I537 HydrophobicContact CD1-CD1 4.31Å; L529-I537 HydrophobicContact CD2-CD1 3.74Å; L529-I537 HydrophobicContact CD2-CG1 3.71Å; L529-I537 HydrophobicContact CG-CD1 3.77Å; L529-I537 HydrophobicContact CG-CG1 4.33Å; I537-M601 CarbonylContact O-C 3.54Å; I537-M601 WeakPolarHBondContact O-CA 3.47Å; I537-M601 WeakPolarHBondContact O-CB 3.29Å; I537-T602 HydrophobicContact CB-CG2 4.2Å; I537-T602 PolarHBondContact N-O 3.42Å; I537-T602 PolarHBondContact O-N 2.81Å
538Y97.1Very high91.4Very high0 Ų027.5 Ų27.50%013%0.132CC..EExtended strand (participates in β ladder)trans-114.7149173.5-58.6-78.7000111I482 L485 I491 H505 V506 S507 L508 C536 L599 F600 M601I482-Y538 HydrophobicContact CD1-CE2 3.85Å; L485-Y538 HydrophobicContact CD1-CD1 4.37Å; L485-Y538 HydrophobicContact CD1-CD2 4.31Å; L485-Y538 HydrophobicContact CD1-CG 4.17Å; I491-Y538 HydrophobicContact CG2-CE1 4Å; H505-Y538 HydrophobicContact CB-CE2 3.87Å; H505-Y538 AromaticContact ND1-CE2 3.48Å; H505-Y538 WeakPolarHBondContact ND1-CE2 3.47Å; H505-Y538 AromaticContact ND1-CZ 3.67Å; H505-Y538 PolarHBondContact ND1-OH 3.06Å; V506-Y538 WeakPolarHBondContact O-CD2 3.49Å; V506-Y538 PolarHBondContact O-N 3.28Å; S507-Y538 CarbonylContact C-O 3.58Å; S507-Y538 WeakPolarHBondContact CA-O 3.4Å; L508-Y538 WeakPolarHBondContact CB-O 2.85Å; L508-Y538 PolarHBondContact N-O 3.1Å; C536-Y538 HydrophobicContact CB-CE2 3.79Å; Y538-L599 HydrophobicContact CD1-CD1 4.07Å; Y538-L599 HydrophobicContact CD1-CD2 4.2Å; Y538-L599 HydrophobicContact CD1-CG 4.36Å; Y538-L599 HydrophobicContact CG-CD1 4.44Å; Y538-F600 CarbonylContact C-O 3.53Å; Y538-F600 VanDerWaalsContact CA-O 3.32Å; Y538-F600 WeakPolarHBondContact CA-O 3.43Å; Y538-M601 HydrophobicContact CD1-CB 3.75Å; Y538-M601 HydrophobicContact CE1-CB 3.92Å; Y538-M601 HydrophobicContact CE1-CE 4.17Å; Y538-M601 HydrophobicContact CE1-SD 4.13Å
539Y96.2Very high90.1Very high1 Ų128.5 Ų28.50%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-141.9130.8174174.7-108.9000109.3W308 L508 V541 C554 T555 I557 L560 L563 F600W308-Y539 PolarHBondContact NE1-OH 2.83Å; L508-Y539 WeakPolarHBondContact O-CD2 3.41Å; Y539-V541 HydrophobicContact CD1-CG2 3.82Å; Y539-V541 HydrophobicContact CE1-CG2 3.3Å; Y539-C554 HydrophobicContact CD2-CB 4.4Å; Y539-C554 HydrophobicContact CE2-CB 3.76Å; Y539-T555 PolarHBondContact OH-O 3.17Å; Y539-I557 HydrophobicContact CD1-CD1 3.57Å; Y539-I557 HydrophobicContact CD1-CG1 4.32Å; Y539-I557 HydrophobicContact CD2-CD1 3.59Å; Y539-I557 HydrophobicContact CD2-CG1 4.39Å; Y539-I557 HydrophobicContact CD2-CG2 4.31Å; Y539-I557 HydrophobicContact CE1-CD1 3.69Å; Y539-I557 HydrophobicContact CE1-CG1 3.92Å; Y539-I557 HydrophobicContact CE2-CD1 3.74Å; Y539-I557 HydrophobicContact CE2-CG1 4.03Å; Y539-I557 HydrophobicContact CE2-CG2 3.78Å; Y539-I557 HydrophobicContact CG-CD1 3.51Å; Y539-L560 HydrophobicContact CD1-CD1 3.72Å; Y539-L560 HydrophobicContact CE1-CD1 3.74Å; Y539-L563 HydrophobicContact CD1-CD1 4.23Å; Y539-L563 HydrophobicContact CG-CD1 4.18Å; Y539-F600 HydrophobicContact CD1-CB 4.46Å; Y539-F600 HydrophobicContact CD1-CD2 4.46Å; Y539-F600 PolarHBondContact N-O 2.94Å; Y539-F600 PolarHBondContact O-N 2.82Å
540C94.3Very high88.8Confident8 Ų832.2 Ų32.25%0.05416%0.155CC..EExtended strand (participates in β ladder)trans-103.6133.1-178.8-69.80000110.5F551 C554 P597 A598C540-F551 HydrophobicContact CB-CB 4.16Å; C540-F551 HydrophobicContact CB-CD1 3.95Å; C540-F551 HydrophobicContact CB-CG 4.28Å; C540-C554 WeakPolarHBondContact O-CB 3.32Å; C540-P597 HydrophobicContact CB-CB 3.95Å; C540-P597 HydrophobicContact CB-CG 4.27Å; C540-A598 CarbonylContact C-O 3.51Å; C540-A598 WeakPolarHBondContact CA-O 3.31Å
541V93Very high87.9Confident9 Ų932.4 Ų32.46%0.05516%0.156CC..EExtended strand (participates in β ladder)trans-112.6120.8173.31790000108.9W308 T309 Y539 P597 A598 F600 V687W308-V541 HydrophobicContact CH2-CG1 4.1Å; W308-V541 HydrophobicContact CZ2-CG1 3.7Å; W308-V541 HydrophobicContact CZ2-CG2 4.07Å; T309-V541 HydrophobicContact CG2-CG1 3.57Å; Y539-V541 HydrophobicContact CD1-CG2 3.82Å; Y539-V541 HydrophobicContact CE1-CG2 3.3Å; V541-P597 CarbonylContact O-C 3.39Å; V541-P597 WeakPolarHBondContact O-CA 3.37Å; V541-P597 WeakPolarHBondContact O-CB 3.45Å; V541-A598 HydrophobicContact CB-CB 4.32Å; V541-A598 PolarHBondContact N-O 2.78Å; V541-A598 PolarHBondContact O-N 3Å; V541-F600 HydrophobicContact CB-CE2 4.21Å; V541-F600 HydrophobicContact CG2-CD2 3.86Å; V541-F600 HydrophobicContact CG2-CE2 3.68Å; V541-V687 HydrophobicContact CG1-CG2 4.21Å; V541-V687 HydrophobicContact CG2-CG2 4.39Å
542L91.1Very high86.9Confident12 Ų1233.3 Ų33.36%0.06317%0.165CC..  trans-80.7144.9178.8-74.6168.8000112.2T309 A546 S549 F551 P597T309-L542 WeakPolarHBondContact CB-O 3.46Å; T309-L542 PolarHBondContact OG1-O 3.48Å; L542-A546 HydrophobicContact CB-CB 4.26Å; L542-A546 HydrophobicContact CD2-CB 4.31Å; L542-S549 VanDerWaalsContact CD1-OG 3.3Å; L542-S549 WeakPolarHBondContact CD1-OG 3.39Å; L542-S549 WeakPolarHBondContact CD2-OG 3.33Å; L542-F551 HydrophobicContact CD1-CB 4.38Å; L542-F551 HydrophobicContact CD2-CB 4.09Å; L542-F551 HydrophobicContact CD2-CD2 4.46Å; L542-F551 HydrophobicContact CG-CB 4.23Å; L542-P597 HydrophobicContact CD2-CB 4.17Å
543P91.2Very high86.3Confident6 Ų634.4 Ų34.44%0.03917%0.167CC..  trans-66152.5171.627-31.8000111.3H307 Y545 A546H307-P543 PolarHBondContact CE1-O 3.01Å; H307-P543 VanDerWaalsContact CE1-O 3.23Å; H307-P543 PolarHBondContact NE2-O 2.82Å; P543-Y545 VanDerWaalsContact C-N 3.25Å; P543-Y545 HydrophobicContact CB-CD1 3.96Å; P543-Y545 HydrophobicContact CB-CE1 3.51Å; P543-Y545 HydrophobicContact CB-CE2 4.31Å; P543-Y545 HydrophobicContact CG-CD1 4.48Å; P543-Y545 HydrophobicContact CG-CD2 4.42Å; P543-Y545 HydrophobicContact CG-CE1 3.91Å; P543-Y545 HydrophobicContact CG-CE2 3.81Å; P543-Y545 PolarHBondContact O-N 3.04Å; P543-A546 HydrophobicContact CG-CB 4.19Å; P543-A546 WeakPolarHBondContact O-CB 3.34Å; P543-A546 PolarHBondContact O-N 3.43Å; P543-A546 VanDerWaalsContact O-N 3.08Å
544P89.8Confident85.9Confident2 Ų229.6 Ų29.61%0.01315%0.148CC..THydrogen-bonded Turntrans-60.3-27.3-174.4-25.836.2000115.6K310 L313 A546 T657K310-P544 WeakPolarHBondContact CB-O 3.37Å; K310-P544 WeakPolarHBondContact CD-O 3.38Å; K310-P544 VanDerWaalsContact CG-O 3.28Å; K310-P544 WeakPolarHBondContact CG-O 3.48Å; L313-P544 HydrophobicContact CB-CB 4.05Å; L313-P544 HydrophobicContact CB-CG 4.23Å; L313-P544 HydrophobicContact CD2-CB 3.47Å; L313-P544 VanDerWaalsContact CD2-CB 3.47Å; L313-P544 HydrophobicContact CD2-CG 3.84Å; L313-P544 HydrophobicContact CG-CB 4.39Å; P544-A546 VanDerWaalsContact C-N 3.31Å; P544-T657 CarbonylContact C-O 3.52Å
545Y88.6Confident85.6Confident9 Ų928.8 Ų28.84%0.03515%0.145CC..THydrogen-bonded Turntrans-79.2-9.7178.659.9-102000113.9P543 D547 G655 T657 R660 V677P543-Y545 VanDerWaalsContact C-N 3.25Å; P543-Y545 HydrophobicContact CB-CD1 3.96Å; P543-Y545 HydrophobicContact CB-CE1 3.51Å; P543-Y545 HydrophobicContact CB-CE2 4.31Å; P543-Y545 HydrophobicContact CG-CD1 4.48Å; P543-Y545 HydrophobicContact CG-CD2 4.42Å; P543-Y545 HydrophobicContact CG-CE1 3.91Å; P543-Y545 HydrophobicContact CG-CE2 3.81Å; P543-Y545 PolarHBondContact O-N 3.04Å; Y545-D547 PolarHBondContact O-N 3.04Å; Y545-G655 WeakPolarHBondContact CD1-O 3.42Å; Y545-T657 WeakPolarHBondContact CA-O 3.33Å; Y545-T657 WeakPolarHBondContact CB-O 3.46Å; Y545-T657 PolarHBondContact N-O 2.66Å; Y545-T657 VanDerWaalsContact N-O 3.1Å; Y545-R660 HydrophobicContact CD2-CB 4.31Å; Y545-R660 HydrophobicContact CD2-CG 4.37Å; Y545-V677 HydrophobicContact CE1-CG1 4.12Å
546A88.3Confident85.3Confident1 Ų132.1 Ų32.11%0.00816%0.162CC..  trans-69.1127.5-177.600000110.6H307 L542 P543 P544H307-A546 PolarHBondContact CD2-O 2.89Å; H307-A546 PolarHBondContact NE2-O 3.29Å; L542-A546 HydrophobicContact CB-CB 4.26Å; L542-A546 HydrophobicContact CD2-CB 4.31Å; P543-A546 HydrophobicContact CG-CB 4.19Å; P543-A546 WeakPolarHBondContact O-CB 3.34Å; P543-A546 PolarHBondContact O-N 3.43Å; P543-A546 VanDerWaalsContact O-N 3.08Å; P544-A546 VanDerWaalsContact C-N 3.31Å
547D74.6Confident85.1Confident125 Ų12532.4 Ų32.467%0.66816%0.163SC*.  trans-90.9-53.5178.2-72.9-37.2000112.1K310 Y545K310-D547 IonicContact NZ-OD1 2.68Å; K310-D547 PolarHBondContact NZ-OD1 3.43Å; Y545-D547 PolarHBondContact O-N 3.04Å
548K69.8Low84.9Confident190 Ų19034.1 Ų34.183%0.82617%0.174SC*.  trans-142.9133.1176.9-68.3-176.2179.91780109.9
549S68.3Low84.7Confident22 Ų2234.1 Ų34.115%0.15417%0.174CC..  trans-147.4165.3171.876.60000109.9L542 F551 S552L542-S549 VanDerWaalsContact CD1-OG 3.3Å; L542-S549 WeakPolarHBondContact CD1-OG 3.39Å; L542-S549 WeakPolarHBondContact CD2-OG 3.33Å; S549-F551 PolarHBondContact O-N 2.86Å; S549-F551 PolarHBondContact OG-N 2.86Å; S549-F551 VanDerWaalsContact OG-N 3.16Å; S549-S552 VanDerWaalsContact O-CB 3.23Å; S549-S552 WeakPolarHBondContact O-CB 3.48Å; S549-S552 PolarHBondContact O-N 2.81Å; S549-S552 PolarHBondContact O-OG 2.71Å; S549-S552 PolarHBondContact OG-N 3.31Å
550K68.8Low84.5Confident82 Ų8235 Ų3536%0.35718%0.178SC..THydrogen-bonded Turntrans-57.6-17.9171.470.6178-172178.60113.5F593K550-F593 HydrophobicContact CD-CE1 3.88Å; K550-F593 HydrophobicContact CD-CE2 4.24Å; K550-F593 HydrophobicContact CD-CZ 3.77Å
551F72.8Confident84.2Confident23 Ų2337.1 Ų37.110%0.10119%0.193CC..THydrogen-bonded Turntrans-94.83.2179.3-48.5-77000113.3W484 C540 L542 S549 R553 C554 F593 P597W484-F551 HydrophobicContact CH2-CE2 4.44Å; W484-F551 AromaticContact CH2-CZ 3.84Å; W484-F551 HydrophobicContact CH2-CZ 3.84Å; W484-F551 HydrophobicContact CZ3-CE1 4.43Å; W484-F551 AromaticContact CZ3-CZ 3.78Å; W484-F551 HydrophobicContact CZ3-CZ 3.78Å; C540-F551 HydrophobicContact CB-CB 4.16Å; C540-F551 HydrophobicContact CB-CD1 3.95Å; C540-F551 HydrophobicContact CB-CG 4.28Å; L542-F551 HydrophobicContact CD1-CB 4.38Å; L542-F551 HydrophobicContact CD2-CB 4.09Å; L542-F551 HydrophobicContact CD2-CD2 4.46Å; L542-F551 HydrophobicContact CG-CB 4.23Å; S549-F551 PolarHBondContact O-N 2.86Å; S549-F551 PolarHBondContact OG-N 2.86Å; S549-F551 VanDerWaalsContact OG-N 3.16Å; F551-R553 PolarHBondContact O-N 3.34Å; F551-R553 VanDerWaalsContact O-N 3.08Å; F551-C554 PolarHBondContact O-N 3.14Å; F551-F593 AromaticContact CE2-CD2 3.8Å; F551-F593 HydrophobicContact CE2-CD2 3.8Å; F551-F593 HydrophobicContact CE2-CE2 4.21Å; F551-F593 HydrophobicContact CE2-CG 4.31Å; F551-F593 HydrophobicContact CZ-CD2 4.24Å; F551-F593 HydrophobicContact CZ-CE2 4.24Å; F551-P597 HydrophobicContact CD1-CG 4.31Å; F551-P597 HydrophobicContact CD2-CB 4.33Å; F551-P597 HydrophobicContact CD2-CG 3.67Å; F551-P597 HydrophobicContact CE1-CG 4.24Å; F551-P597 HydrophobicContact CE2-CG 3.6Å; F551-P597 HydrophobicContact CG-CB 4.46Å; F551-P597 HydrophobicContact CG-CG 4.01Å; F551-P597 HydrophobicContact CZ-CG 3.86Å
552S72Confident84.1Confident44 Ų4439.2 Ų39.231%0.30820%0.202SC..THydrogen-bonded Turntrans-65.2-10.2-176.955.70000114.7L439 S549 C554L439-S552 WeakPolarHBondContact CD2-O 3.32Å; S549-S552 VanDerWaalsContact O-CB 3.23Å; S549-S552 WeakPolarHBondContact O-CB 3.48Å; S549-S552 PolarHBondContact O-N 2.81Å; S549-S552 PolarHBondContact O-OG 2.71Å; S549-S552 PolarHBondContact OG-N 3.31Å; S552-C554 VanDerWaalsContact C-N 3.31Å; S552-C554 PolarHBondContact O-N 3.46Å
553R79.8Confident84.2Confident36 Ų3639 Ų3914%0.13620%0.2CC..THydrogen-bonded Turntrans-76.7-12.6179.2-59.3-178.374155.9-8.4114.5L439 D443 D453 Y509 H510 F551 T555L439-R553 HydrophobicContact CD1-CB 4.38Å; L439-R553 HydrophobicContact CD1-CG 4.22Å; L439-R553 WeakPolarHBondContact CD2-O 3.5Å; D443-R553 VanDerWaalsContact CG-NH2 3.27Å; D443-R553 IonicContact OD1-CZ 3.26Å; D443-R553 VanDerWaalsContact OD1-CZ 3.3Å; D443-R553 IonicContact OD1-NE 3.65Å; D443-R553 PolarHBondContact OD1-NE 3.38Å; D443-R553 IonicContact OD1-NH2 3.14Å; D443-R553 PolarHBondContact OD1-NH2 3.01Å; D443-R553 IonicContact OD2-CZ 2.72Å; D443-R553 IonicContact OD2-NE 3.03Å; D443-R553 PolarHBondContact OD2-NE 3.19Å; D443-R553 IonicContact OD2-NH2 2.79Å; D443-R553 PolarHBondContact OD2-NH2 3.15Å; D453-R553 IonicContact OD1-CZ 3.65Å; D453-R553 VanDerWaalsContact OD1-CZ 3.22Å; D453-R553 IonicContact OD1-NH1 3.74Å; D453-R553 PolarHBondContact OD1-NH1 3.42Å; D453-R553 IonicContact OD1-NH2 3.65Å; D453-R553 PolarHBondContact OD1-NH2 3.4Å; D453-R553 IonicContact OD2-CZ 2.7Å; D453-R553 IonicContact OD2-NH1 3.42Å; D453-R553 PolarHBondContact OD2-NH1 3.41Å; D453-R553 IonicContact OD2-NH2 3.44Å; Y509-R553 HydrophobicContact CD2-CB 4.46Å; Y509-R553 HydrophobicContact CE2-CB 4.33Å; H510-R553 PolarHBondContact CE1-O 3.26Å; F551-R553 PolarHBondContact O-N 3.34Å; F551-R553 VanDerWaalsContact O-N 3.08Å; R553-T555 PolarHBondContact O-N 3.21Å
554C84Confident84.3Confident15 Ų1538.8 Ų38.810%0.10120%0.199CC..  trans-77.2113.9-179.2-65.20000111.8Y539 C540 F551 S552Y539-C554 HydrophobicContact CD2-CB 4.4Å; Y539-C554 HydrophobicContact CE2-CB 3.76Å; C540-C554 WeakPolarHBondContact O-CB 3.32Å; F551-C554 PolarHBondContact O-N 3.14Å; S552-C554 VanDerWaalsContact C-N 3.31Å; S552-C554 PolarHBondContact O-N 3.46Å
555T89.6Confident84.6Confident1 Ų139.4 Ų39.41%0.00620%0.203CC..PPolyproline II helixtrans-87.2164.4172.358.90000111.4M432 D436 L439 Y509 H510 Y539 R553 I557M432-T555 HydrophobicContact CE-CG2 3.98Å; D436-T555 HydrophobicContact CB-CG2 3.68Å; L439-T555 HydrophobicContact CD2-CG2 4.08Å; Y509-T555 PolarHBondContact O-N 2.86Å; H510-T555 VanDerWaalsContact CE1-CG2 3.47Å; H510-T555 WeakPolarHBondContact CE1-CG2 3.27Å; H510-T555 VanDerWaalsContact ND1-CG2 3.3Å; H510-T555 WeakPolarHBondContact ND1-CG2 3.5Å; H510-T555 PolarHBondContact ND1-OG1 2.95Å; Y539-T555 PolarHBondContact OH-O 3.17Å; R553-T555 PolarHBondContact O-N 3.21Å; T555-I557 WeakPolarHBondContact O-CG2 3.18Å; T555-I557 PolarHBondContact O-N 3.05Å; T555-I557 VanDerWaalsContact O-N 3.15Å
556L87.8Confident85Confident89 Ų8939.1 Ų39.147%0.46620%0.202SC..PPolyproline II helixtrans-58.2121.2171.4179.960.5000110.7W308W308-L556 HydrophobicContact CB-CB 4.09Å; W308-L556 VanDerWaalsContact CD1-N 3.29Å; W308-L556 HydrophobicContact CD2-CB 3.94Å; W308-L556 HydrophobicContact CD2-CD1 3.98Å; W308-L556 HydrophobicContact CD2-CG 4.45Å; W308-L556 HydrophobicContact CE3-CB 4.46Å; W308-L556 HydrophobicContact CE3-CD1 3.9Å; W308-L556 HydrophobicContact CG-CB 3.77Å; W308-L556 HydrophobicContact CH2-CD1 4.05Å; W308-L556 HydrophobicContact CZ2-CD1 4.12Å; W308-L556 HydrophobicContact CZ3-CD1 3.94Å
557I92.9Very high85.3Confident6 Ų641.8 Ų41.83%0.03121%0.214CC..PPolyproline II helixtrans-101.4143-177.759.6177.4000112.3L508 F511 Y539 T555 C559 L560 L563L508-I557 HydrophobicContact CD2-CD1 3.77Å; L508-I557 HydrophobicContact CD2-CG2 4.42Å; F511-I557 HydrophobicContact CB-CB 4Å; F511-I557 HydrophobicContact CB-CG2 3.91Å; F511-I557 WeakPolarHBondContact O-CA 3.45Å; Y539-I557 HydrophobicContact CD1-CD1 3.57Å; Y539-I557 HydrophobicContact CD1-CG1 4.32Å; Y539-I557 HydrophobicContact CD2-CD1 3.59Å; Y539-I557 HydrophobicContact CD2-CG1 4.39Å; Y539-I557 HydrophobicContact CD2-CG2 4.31Å; Y539-I557 HydrophobicContact CE1-CD1 3.69Å; Y539-I557 HydrophobicContact CE1-CG1 3.92Å; Y539-I557 HydrophobicContact CE2-CD1 3.74Å; Y539-I557 HydrophobicContact CE2-CG1 4.03Å; Y539-I557 HydrophobicContact CE2-CG2 3.78Å; Y539-I557 HydrophobicContact CG-CD1 3.51Å; T555-I557 WeakPolarHBondContact O-CG2 3.18Å; T555-I557 PolarHBondContact O-N 3.05Å; T555-I557 VanDerWaalsContact O-N 3.15Å; I557-C559 VanDerWaalsContact C-N 3.28Å; I557-C559 PolarHBondContact O-N 3.49Å; I557-L560 HydrophobicContact CD1-CB 4.37Å; I557-L560 HydrophobicContact CD1-CD1 4.32Å; I557-L560 HydrophobicContact CG1-CB 3.93Å; I557-L563 HydrophobicContact CD1-CD1 3.8Å
558T92.1Very high86.3Confident36 Ų3636 Ų3622%0.22118%0.183CC..THydrogen-bonded Turntrans-76.5-15.2177.963.30000113.3F511 L512 L513 Q518F511-T558 WeakPolarHBondContact CD1-OG1 3.49Å; F511-T558 PolarHBondContact O-N 3.19Å; L512-T558 HydrophobicContact CD1-CG2 3.78Å; L513-T558 PolarHBondContact N-OG1 3.09Å; L513-T558 VanDerWaalsContact N-OG1 3.1Å; Q518-T558 PolarHBondContact NE2-O 2.92Å
559C93.7Very high87.4Confident0 Ų027.8 Ų27.80%015%0.147CC..THydrogen-bonded Turntrans-92.65.4179.966.40000115.4F511 T521 L525 I557 S561 K562F511-C559 HydrophobicContact CD1-CB 3.54Å; F511-C559 VanDerWaalsContact CD1-SG 3.59Å; F511-C559 HydrophobicContact CD2-CB 4.4Å; F511-C559 HydrophobicContact CE1-CB 3.51Å; F511-C559 HydrophobicContact CE2-CB 4.35Å; F511-C559 HydrophobicContact CG-CB 4.01Å; F511-C559 WeakPolarHBondContact CG-SG 3.43Å; F511-C559 HydrophobicContact CZ-CB 3.91Å; T521-C559 HydrophobicContact CG2-CB 3.28Å; L525-C559 HydrophobicContact CD1-CB 4.05Å; I557-C559 VanDerWaalsContact C-N 3.28Å; I557-C559 PolarHBondContact O-N 3.49Å; C559-S561 PolarHBondContact O-N 3.07Å; C559-K562 WeakPolarHBondContact O-CB 3.44Å; C559-K562 PolarHBondContact O-N 3.27Å
560L92Very high88.5Confident18 Ų1830.9 Ų30.99%0.09416%0.158CC..G310 helixtrans-54.2-33.1-174-170.651.6000113W308 Y539 I557 K562 L563 F600 V687W308-L560 HydrophobicContact CH2-CD2 4.49Å; Y539-L560 HydrophobicContact CD1-CD1 3.72Å; Y539-L560 HydrophobicContact CE1-CD1 3.74Å; I557-L560 HydrophobicContact CD1-CB 4.37Å; I557-L560 HydrophobicContact CD1-CD1 4.32Å; I557-L560 HydrophobicContact CG1-CB 3.93Å; L560-K562 PolarHBondContact O-N 2.92Å; L560-L563 HydrophobicContact CD1-CD1 4.27Å; L560-L563 PolarHBondContact O-N 3.15Å; L560-L563 VanDerWaalsContact O-N 3.15Å; L560-F600 HydrophobicContact CD1-CD1 4.03Å; L560-F600 HydrophobicContact CD1-CD2 4.37Å; L560-F600 HydrophobicContact CD1-CE1 4.31Å; L560-F600 HydrophobicContact CD1-CG 4.07Å; L560-V687 HydrophobicContact CD1-CG1 4.43Å; L560-V687 HydrophobicContact CD2-CG1 3.45Å; L560-V687 VanDerWaalsContact CD2-CG1 3.45Å; L560-V687 HydrophobicContact CD2-CG2 4.26Å; L560-V687 HydrophobicContact CG-CG1 3.81Å
561S88.3Confident89.6Confident54 Ų5428.4 Ų28.438%0.37815%0.147SC..G310 helixtrans-65.3-15.4177.663.80000115C559C559-S561 PolarHBondContact O-N 3.07Å
562K90.8Very high90.6Very high53 Ų5327.9 Ų27.923%0.2315%0.145CC..G310 helixtrans-99.7-1177.9-56.7-56.7-176.5171.30113.1T521 E522 L525 C559 L560 T602 L607T521-K562 HydrophobicContact CG2-CB 4.45Å; T521-K562 HydrophobicContact CG2-CG 3.73Å; E522-K562 HydrophobicContact CG-CD 3.79Å; E522-K562 HydrophobicContact CG-CG 4.19Å; E522-K562 WeakPolarHBondContact OE1-CE 3.48Å; E522-K562 IonicContact OE1-NZ 2.96Å; E522-K562 PolarHBondContact OE1-NZ 3.18Å; L525-K562 HydrophobicContact CD1-CB 4.16Å; C559-K562 WeakPolarHBondContact O-CB 3.44Å; C559-K562 PolarHBondContact O-N 3.27Å; L560-K562 PolarHBondContact O-N 2.92Å; K562-T602 PolarHBondContact O-OG1 3.11Å; K562-L607 HydrophobicContact CB-CD2 4.12Å
563L93.9Very high91.7Very high7 Ų728.8 Ų28.84%0.03715%0.146CC..SBendtrans-96.1155.8174.2-50-175.9000110.5Y539 I557 L560 F600 T602Y539-L563 HydrophobicContact CD1-CD1 4.23Å; Y539-L563 HydrophobicContact CG-CD1 4.18Å; I557-L563 HydrophobicContact CD1-CD1 3.8Å; L560-L563 HydrophobicContact CD1-CD1 4.27Å; L560-L563 PolarHBondContact O-N 3.15Å; L560-L563 VanDerWaalsContact O-N 3.15Å; L563-F600 HydrophobicContact CB-CB 3.82Å; L563-F600 HydrophobicContact CB-CD1 4.32Å; L563-F600 HydrophobicContact CD1-CB 3.97Å; L563-T602 HydrophobicContact CD2-CG2 3.38Å
564S93.1Very high92.3Very high1 Ų128 Ų281%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-103.7129.8174.4-59.20000109.8F600 M601 K611S564-F600 CarbonylContact O-C 3.44Å; S564-F600 VanDerWaalsContact O-CA 3.23Å; S564-F600 WeakPolarHBondContact O-CA 3.44Å; S564-M601 PolarHBondContact N-O 3.42Å; S564-M601 PolarHBondContact O-N 3.43Å; S564-K611 WeakPolarHBondContact OG-CE 3.45Å; S564-K611 PolarHBondContact OG-NZ 3.03Å
565P95.7Very high92.7Very high16 Ų1628.1 Ų28.110%0.10414%0.144CC..EExtended strand (participates in β ladder)trans-64.1137.2169.328.6-33.5000109.7F494 F600 V635F494-P565 WeakPolarHBondContact CZ-O 3.31Å; P565-F600 HydrophobicContact CB-CD1 4.09Å; P565-F600 HydrophobicContact CB-CE1 3.74Å; P565-F600 HydrophobicContact CB-CZ 4.21Å; P565-F600 HydrophobicContact CG-CE1 4.39Å; P565-V635 HydrophobicContact CB-CG1 4.32Å; P565-V635 HydrophobicContact CG-CG1 3.82Å; P565-V635 WeakPolarHBondContact CG-O 3.3Å
566V96Very high92.6Very high2 Ų235.9 Ų35.91%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-105.5126.2-179.2-171.60000109.4I491 F494 L599 M601I491-V566 HydrophobicContact CG2-CG1 4.15Å; F494-V566 HydrophobicContact CD2-CG1 4.43Å; F494-V566 HydrophobicContact CD2-CG2 4.24Å; F494-V566 HydrophobicContact CE2-CB 4.23Å; F494-V566 HydrophobicContact CE2-CG1 4.09Å; F494-V566 HydrophobicContact CE2-CG2 3.88Å; V566-L599 HydrophobicContact CB-CB 4.27Å; V566-L599 HydrophobicContact CB-CD2 4.16Å; V566-L599 HydrophobicContact CB-CG 4.32Å; V566-L599 HydrophobicContact CG1-CD2 4.39Å; V566-L599 HydrophobicContact CG2-CD2 4.18Å; V566-L599 HydrophobicContact CG2-CG 4.19Å; V566-L599 PolarHBondContact N-O 3.32Å; V566-M601 HydrophobicContact CG2-CB 3.99Å; V566-M601 HydrophobicContact CG2-CG 3.47Å; V566-M601 VanDerWaalsContact CG2-CG 3.47Å; V566-M601 HydrophobicContact CG2-SD 3.7Å
567K95.3Very high92.5Very high58 Ų5836.4 Ų36.425%0.25219%0.191SC..PPolyproline II helixtrans-64133179.1-179.7170.4168.7140.60111.1N490 E632 T636N490-K567 HydrophobicContact CB-CB 4.44Å; N490-K567 WeakPolarHBondContact CB-O 3Å; N490-K567 PolarHBondContact N-O 3.5Å; K567-E632 WeakPolarHBondContact CE-OE1 3.39Å; K567-E632 IonicContact NZ-OE1 2.98Å; K567-E632 PolarHBondContact NZ-OE1 3.21Å; K567-T636 HydrophobicContact CB-CG2 4.06Å
568P95.6Very high92.3Very high4 Ų436.5 Ų36.53%0.02619%0.192CC..BIsolated β-bridgetrans-68.2155.1172.127.8-34.4000112.3H488 Y489 Y679 Q682 L683H488-P568 CarbonylContact O-C 3.54Å; H488-P568 WeakPolarHBondContact O-CA 3.39Å; Y489-P568 HydrophobicContact CD1-CB 4.45Å; P568-Y679 HydrophobicContact CB-CD2 4.28Å; P568-Y679 HydrophobicContact CB-CE2 4.13Å; P568-Y679 HydrophobicContact CG-CD2 3.78Å; P568-Y679 HydrophobicContact CG-CE1 4.3Å; P568-Y679 HydrophobicContact CG-CE2 3.48Å; P568-Y679 VanDerWaalsContact CG-CE2 3.48Å; P568-Y679 HydrophobicContact CG-CG 4.33Å; P568-Q682 HydrophobicContact CB-CB 3.82Å; P568-Q682 HydrophobicContact CB-CG 4.47Å; P568-Q682 HydrophobicContact CG-CB 3.87Å; P568-L683 HydrophobicContact CG-CD2 4.06Å
569R93.4Very high91.9Very high16 Ų1637.8 Ų37.86%0.0620%0.197CC..PPolyproline II helixtrans-98.3142.3177.2-69.7-172.7177.7-71.9-4.3111.6R486 A487 H488 Y489 N490 E492 Q571 D1232 R1233R486-R569 PolarHBondContact O-NE 3.47Å; A487-R569 WeakPolarHBondContact O-CD 3.46Å; H488-R569 PolarHBondContact O-N 2.9Å; Y489-R569 PolarHBondContact O-NE 3.14Å; N490-R569 HydrophobicContact CB-CG 4.46Å; N490-R569 VanDerWaalsContact OD1-CZ 3.28Å; N490-R569 PolarHBondContact OD1-NH2 3.4Å; E492-R569 IonicContact OE2-CZ 2.71Å; E492-R569 IonicContact OE2-NE 3.38Å; E492-R569 IonicContact OE2-NH2 3.52Å; E492-R569 PolarHBondContact OE2-NH2 3.21Å; R569-Q571 PolarHBondContact O-N 3.3Å; R569-Q571 PolarHBondContact O-NE2 2.88Å; R569-Q571 VanDerWaalsContact O-NE2 3.07Å; R569-D1232 WeakPolarHBondContact CD-OD2 3.44Å; R569-D1232 WeakPolarHBondContact CG-OD2 3.16Å; R569-D1232 IonicContact CZ-OD2 3.6Å; R569-D1232 IonicContact NE-OD2 3.72Å; R569-D1232 IonicContact NH1-OD1 2.84Å; R569-D1232 IonicContact NH1-OD2 3.3Å; R569-D1232 PolarHBondContact NH1-OD2 3.02Å; R569-R1233 VanDerWaalsContact NH1-NE 3.11Å
570K91.5Very high91.4Very high88 Ų8844.4 Ų44.438%0.38323%0.232SC..PPolyproline II helixtrans-67.2131166.6-64.5-171.8175.8-1690109.2D1232K570-D1232 HydrophobicContact CB-CB 4.26Å
571Q91.4Very high91.1Very high29 Ų2947.5 Ų47.514%0.13625%0.249CC..PPolyproline II helixtrans-99.5142.1-176.4-61.3-55.8-57.800110.6A487 R569A487-Q571 PolarHBondContact O-NE2 2.93Å; R569-Q571 PolarHBondContact O-N 3.3Å; R569-Q571 PolarHBondContact O-NE2 2.88Å; R569-Q571 VanDerWaalsContact O-NE2 3.07Å
572I94.4Very high90.6Very high13 Ų1353.1 Ų53.17%0.06727%0.273CS..PPolyproline II helixtrans-70.8131.1170.3-60.2167.8000108.2Y574 L1227 H1231 L1306I572-Y574 HydrophobicContact CB-CD2 4.39Å; I572-Y574 HydrophobicContact CB-CE1 4.27Å; I572-Y574 HydrophobicContact CB-CE2 3.84Å; I572-Y574 HydrophobicContact CD1-CE1 4.47Å; I572-Y574 HydrophobicContact CG2-CD1 4.09Å; I572-Y574 HydrophobicContact CG2-CD2 4.32Å; I572-Y574 HydrophobicContact CG2-CE1 3.93Å; I572-Y574 HydrophobicContact CG2-CE2 4.14Å; I572-Y574 HydrophobicContact CG2-CG 4.29Å; I572-Y574 VanDerWaalsContact O-CD2 3.29Å; I572-Y574 WeakPolarHBondContact O-CD2 3.23Å; I572-Y574 WeakPolarHBondContact O-CE2 3.4Å; I572-Y574 PolarHBondContact O-N 2.94Å; I572-L1227 WeakPolarHBondContact CD1-O 3.24Å; I572-L1227 HydrophobicContact CG2-CD2 3.92Å; I572-H1231 HydrophobicContact CD1-CB 4.02Å; I572-L1306 HydrophobicContact CD1-CD2 4.08Å
573I93.9Very high90.3Very high63 Ų6356.6 Ų56.632%0.32329%0.288SS..  trans-86.6103.9169.1-56.2172.7000107.3P1187 E1189 N1190I573-P1187 HydrophobicContact CB-CB 3.65Å; I573-P1187 HydrophobicContact CD1-CB 4.06Å; I573-P1187 HydrophobicContact CG1-CB 4.44Å; I573-P1187 HydrophobicContact CG2-CB 3.68Å; I573-E1189 HydrophobicContact CD1-CB 4.09Å; I573-E1189 HydrophobicContact CD1-CG 4.45Å; I573-N1190 PolarHBondContact N-OD1 3.02Å; I573-N1190 PolarHBondContact O-ND2 3.16Å
574Y94.2Very high90Very high19 Ų1957 Ų578%0.07529%0.292CS..  trans-78.3143.2-177.2-64.1-87000111.4I572 L578 L579 P585 L590 L1227 L1305 M1308I572-Y574 HydrophobicContact CB-CD2 4.39Å; I572-Y574 HydrophobicContact CB-CE1 4.27Å; I572-Y574 HydrophobicContact CB-CE2 3.84Å; I572-Y574 HydrophobicContact CD1-CE1 4.47Å; I572-Y574 HydrophobicContact CG2-CD1 4.09Å; I572-Y574 HydrophobicContact CG2-CD2 4.32Å; I572-Y574 HydrophobicContact CG2-CE1 3.93Å; I572-Y574 HydrophobicContact CG2-CE2 4.14Å; I572-Y574 HydrophobicContact CG2-CG 4.29Å; I572-Y574 VanDerWaalsContact O-CD2 3.29Å; I572-Y574 WeakPolarHBondContact O-CD2 3.23Å; I572-Y574 WeakPolarHBondContact O-CE2 3.4Å; I572-Y574 PolarHBondContact O-N 2.94Å; Y574-L578 HydrophobicContact CD1-CD2 4Å; Y574-L579 HydrophobicContact CG-CD2 4.3Å; Y574-P585 HydrophobicContact CD1-CG 4.29Å; Y574-P585 HydrophobicContact CE1-CG 3.63Å; Y574-P585 HydrophobicContact CE2-CG 4.15Å; Y574-L590 HydrophobicContact CD2-CD1 3.75Å; Y574-L590 HydrophobicContact CD2-CD2 4.14Å; Y574-L590 HydrophobicContact CE2-CD1 3.89Å; Y574-L590 HydrophobicContact CE2-CD2 3.49Å; Y574-L590 VanDerWaalsContact CE2-CD2 3.49Å; Y574-L590 HydrophobicContact CE2-CG 4.36Å; Y574-L1227 HydrophobicContact CD1-CD1 4.03Å; Y574-L1227 HydrophobicContact CE1-CD1 4.27Å; Y574-L1305 PolarHBondContact OH-O 3.31Å; Y574-M1308 HydrophobicContact CD1-CE 4.33Å; Y574-M1308 HydrophobicContact CE1-CE 3.85Å
575P91.3Very high89.9Confident18 Ų1857.1 Ų57.112%0.11729%0.293CS..  trans-66.2141.6174.329.2-35.3000110.5S577 L578 L579 N1222P575-S577 PolarHBondContact O-N 3.36Å; P575-L578 HydrophobicContact CG-CB 3.8Å; P575-L578 WeakPolarHBondContact O-CB 3.41Å; P575-L578 PolarHBondContact O-N 3.42Å; P575-L579 PolarHBondContact O-N 2.85Å; P575-N1222 WeakPolarHBondContact CG-O 3.48Å
576E87.2Confident89.6Confident163 Ų16361 Ų6176%0.76231%0.31SS*.Hα-helixtrans-58.4-34.6-178.6-63.7-173.2166.800112.7L578 L579E576-L578 PolarHBondContact O-N 2.78Å; E576-L579 PolarHBondContact O-N 2.96Å
577S85.8Confident89.3Confident100 Ų10068.6 Ų68.670%0.69934%0.343SS*.Hα-helixtrans-59-34.2175.959.20000112.7P575P575-S577 PolarHBondContact O-N 3.36Å
578L88.3Confident89.1Confident8 Ų872.1 Ų72.14%0.04235%0.354CS..Hα-helixtrans-79.6-41.5176.7179.165.8000111.6Y574 P575 E576 N580 N581 A584 T1224 L1227 M1308Y574-L578 HydrophobicContact CD1-CD2 4Å; P575-L578 HydrophobicContact CG-CB 3.8Å; P575-L578 WeakPolarHBondContact O-CB 3.41Å; P575-L578 PolarHBondContact O-N 3.42Å; E576-L578 PolarHBondContact O-N 2.78Å; L578-N580 PolarHBondContact O-N 3.38Å; L578-N581 HydrophobicContact CD1-CB 4.36Å; L578-N581 WeakPolarHBondContact O-CA 3.32Å; L578-N581 WeakPolarHBondContact O-CB 3.47Å; L578-N581 PolarHBondContact O-N 3.05Å; L578-A584 HydrophobicContact CG-CB 4.46Å; L578-A584 WeakPolarHBondContact O-CB 3.21Å; L578-T1224 HydrophobicContact CD1-CG2 4.06Å; L578-T1224 HydrophobicContact CD2-CG2 4.27Å; L578-L1227 HydrophobicContact CD2-CD1 3.56Å; L578-M1308 HydrophobicContact CD1-CB 4.36Å; L578-M1308 HydrophobicContact CD2-CE 3.73Å
579L85.4Confident88.9Confident63 Ų6372.1 Ų72.133%0.3335%0.354SS..Hα-helixtrans-58.9-21.2-174.8-71.2175.4000113.9Y574 P575 E576 L590Y574-L579 HydrophobicContact CG-CD2 4.3Å; P575-L579 PolarHBondContact O-N 2.85Å; E576-L579 PolarHBondContact O-N 2.96Å; L579-L590 HydrophobicContact CD2-CD1 3.67Å
580N82.6Confident88.7Confident140 Ų14073 Ų7375%0.74936%0.36SS*.THydrogen-bonded Turntrans-88.2-2.5174.8-67.8-34.4000114.2L578L578-N580 PolarHBondContact O-N 3.38Å
581N84.3Confident88.6Confident82 Ų8273.3 Ų73.344%0.43936%0.363SS..SBendtrans-95.4149.9-177.8-162-32.5000111.5L578 K583 A584L578-N581 HydrophobicContact CD1-CB 4.36Å; L578-N581 WeakPolarHBondContact O-CA 3.32Å; L578-N581 WeakPolarHBondContact O-CB 3.47Å; L578-N581 PolarHBondContact O-N 3.05Å; N581-K583 PolarHBondContact O-N 3.04Å; N581-K583 VanDerWaalsContact O-N 3.15Å; N581-K583 PolarHBondContact OD1-N 3.04Å; N581-A584 VanDerWaalsContact O-CB 3.26Å; N581-A584 WeakPolarHBondContact O-CB 3.28Å; N581-A584 PolarHBondContact O-N 2.82Å
582I79.5Confident88.3Confident172 Ų17278.2 Ų78.288%0.88238%0.384SS*.THydrogen-bonded Turntrans-59.9-24.7174.4-60.8167.6000111.5A584I582-A584 VanDerWaalsContact C-N 3.3Å
583K84Confident87.8Confident126 Ų12679.2 Ų79.255%0.54839%0.388SS..THydrogen-bonded Turntrans-79.5-6.3177.5-66-174179.3-177.10114.3N581 S1307 M1308N581-K583 PolarHBondContact O-N 3.04Å; N581-K583 VanDerWaalsContact O-N 3.15Å; N581-K583 PolarHBondContact OD1-N 3.04Å; K583-S1307 CarbonylContact O-C 3.52Å; K583-S1307 WeakPolarHBondContact O-CB 3.25Å; K583-S1307 PolarHBondContact O-OG 2.7Å; K583-M1308 HydrophobicContact CB-CB 4.4Å; K583-M1308 PolarHBondContact O-N 3.44Å
584A87.1Confident87.1Confident15 Ų1582.5 Ų82.512%0.12441%0.406CS..SBendtrans-66.7154.2177.100000111.8L578 N581 I582 S1307L578-A584 HydrophobicContact CG-CB 4.46Å; L578-A584 WeakPolarHBondContact O-CB 3.21Å; N581-A584 VanDerWaalsContact O-CB 3.26Å; N581-A584 WeakPolarHBondContact O-CB 3.28Å; N581-A584 PolarHBondContact O-N 2.82Å; I582-A584 VanDerWaalsContact C-N 3.3Å; A584-S1307 PolarHBondContact O-OG 3.32Å
585P91.5Very high86.7Confident5 Ų582.1 Ų82.13%0.03241%0.406CS..PPolyproline II helixtrans-55.1148.6164.6-23.434.2000110.9Y574 K587 L590 N1304 L1305 M1308Y574-P585 HydrophobicContact CD1-CG 4.29Å; Y574-P585 HydrophobicContact CE1-CG 3.63Å; Y574-P585 HydrophobicContact CE2-CG 4.15Å; P585-K587 PolarHBondContact O-N 2.87Å; P585-L590 HydrophobicContact CB-CD1 3.82Å; P585-L590 HydrophobicContact CB-CD2 3.99Å; P585-L590 HydrophobicContact CB-CG 3.9Å; P585-L590 HydrophobicContact CG-CD1 4.19Å; P585-L590 HydrophobicContact CG-CD2 4.47Å; P585-N1304 WeakPolarHBondContact CB-O 3.46Å; P585-L1305 WeakPolarHBondContact CG-O 3.31Å; P585-M1308 HydrophobicContact CG-CE 4.27Å
586E90Very high86.6Confident98 Ų9881.6 Ų81.646%0.45840%0.402SS..PPolyproline II helixtrans-61.8132.8-179.6-62.7178.2179.500110.8R588 I589 L590E586-R588 HydrophobicContact CB-CG 4.19Å; E586-R588 PolarHBondContact O-N 3.5Å; E586-R588 VanDerWaalsContact O-N 3.13Å; E586-R588 IonicContact OE1-NH2 3.75Å; E586-R588 IonicContact OE2-CZ 3.85Å; E586-R588 IonicContact OE2-NE 2.71Å; E586-R588 PolarHBondContact OE2-NE 3.4Å; E586-R588 IonicContact OE2-NH2 2.72Å; E586-R588 PolarHBondContact OE2-NH2 3.46Å; E586-I589 HydrophobicContact CB-CD1 4.1Å; E586-I589 HydrophobicContact CB-CG1 4.14Å; E586-I589 HydrophobicContact CG-CD1 4.5Å; E586-I589 WeakPolarHBondContact O-CB 3.36Å; E586-I589 PolarHBondContact O-N 2.87Å; E586-L590 PolarHBondContact O-N 2.74Å
587K89.3Confident86.9Confident160 Ų16073.9 Ų73.970%0.69637%0.366SS*.Hα-helixtrans-53.5-38-178.5-68.7-173.9176.9-174.80113.3P585 I589 L590 E591P585-K587 PolarHBondContact O-N 2.87Å; K587-I589 PolarHBondContact O-N 2.84Å; K587-L590 PolarHBondContact O-N 2.81Å; K587-L590 VanDerWaalsContact O-N 3.14Å; K587-E591 PolarHBondContact O-N 2.72Å
588R90.1Very high87.3Confident132 Ų13269.2 Ų69.250%0.49833%0.333SS..Hα-helixtrans-63.4-20.317769.7175.3177.9162.8-1.4114.3W484 E586W484-R588 VanDerWaalsContact CD1-O 3.29Å; E586-R588 HydrophobicContact CB-CG 4.19Å; E586-R588 PolarHBondContact O-N 3.5Å; E586-R588 VanDerWaalsContact O-N 3.13Å; E586-R588 IonicContact OE1-NH2 3.75Å; E586-R588 IonicContact OE2-CZ 3.85Å; E586-R588 IonicContact OE2-NE 2.71Å; E586-R588 PolarHBondContact OE2-NE 3.4Å; E586-R588 IonicContact OE2-NH2 2.72Å; E586-R588 PolarHBondContact OE2-NH2 3.46Å
589I90.9Very high87.7Confident4 Ų468.9 Ų68.92%0.02133%0.332CS..Hα-helixtrans-88.7-30.9177.5-60.2179.2000110.1E483 A487 H488 E586 K587 N1304 L1305E483-I589 HydrophobicContact CB-CD1 4.27Å; E483-I589 HydrophobicContact CB-CG1 4.37Å; A487-I589 HydrophobicContact CB-CG2 3.55Å; H488-I589 PolarHBondContact CE1-O 3.18Å; E586-I589 HydrophobicContact CB-CD1 4.1Å; E586-I589 HydrophobicContact CB-CG1 4.14Å; E586-I589 HydrophobicContact CG-CD1 4.5Å; E586-I589 WeakPolarHBondContact O-CB 3.36Å; E586-I589 PolarHBondContact O-N 2.87Å; K587-I589 PolarHBondContact O-N 2.84Å; I589-N1304 HydrophobicContact CD1-CB 3.96Å; I589-L1305 HydrophobicContact CG2-CD2 3.8Å
590L91Very high88.2Confident35 Ų3566 Ų6618%0.18332%0.317CS..Hα-helixtrans-91.2-8.3-179.6-59.4-174.1000114.1Y574 L579 P585 E586 K587 K592 L1305Y574-L590 HydrophobicContact CD2-CD1 3.75Å; Y574-L590 HydrophobicContact CD2-CD2 4.14Å; Y574-L590 HydrophobicContact CE2-CD1 3.89Å; Y574-L590 HydrophobicContact CE2-CD2 3.49Å; Y574-L590 VanDerWaalsContact CE2-CD2 3.49Å; Y574-L590 HydrophobicContact CE2-CG 4.36Å; L579-L590 HydrophobicContact CD2-CD1 3.67Å; P585-L590 HydrophobicContact CB-CD1 3.82Å; P585-L590 HydrophobicContact CB-CD2 3.99Å; P585-L590 HydrophobicContact CB-CG 3.9Å; P585-L590 HydrophobicContact CG-CD1 4.19Å; P585-L590 HydrophobicContact CG-CD2 4.47Å; E586-L590 PolarHBondContact O-N 2.74Å; K587-L590 PolarHBondContact O-N 2.81Å; K587-L590 VanDerWaalsContact O-N 3.14Å; L590-K592 PolarHBondContact O-N 2.88Å; L590-L1305 HydrophobicContact CD2-CD2 3.96Å
591E88.7Confident88.8Confident95 Ų9559.4 Ų59.444%0.44428%0.281SS..PPolyproline II helixtrans-57120.3-176.8-173.1179.7-163.500111.4W484 K587 F593W484-E591 PolarHBondContact NE1-O 2.81Å; K587-E591 PolarHBondContact O-N 2.72Å; E591-F593 HydrophobicContact CG-CE1 4.03Å; E591-F593 HydrophobicContact CG-CZ 3.98Å
592K84.7Confident89.3Confident131 Ų13155.5 Ų55.557%0.5726%0.261SS*.PPolyproline II helixtrans-98.8134.4170.1-68.7-173.5178.3-177.30109.2L590L590-K592 PolarHBondContact O-N 2.88Å
593F83.4Confident90.1Very high34 Ų3447.7 Ų47.715%0.14922%0.221CC..PPolyproline II helixtrans-89.8153.2175.7-61.2-69.6000110.6W484 K550 F551 E591 S595 M596W484-F593 HydrophobicContact CD2-CE2 4.34Å; W484-F593 AromaticContact CE2-CE2 3.55Å; W484-F593 HydrophobicContact CH2-CD2 4.04Å; W484-F593 AromaticContact CH2-CE2 3.93Å; W484-F593 HydrophobicContact CH2-CE2 3.93Å; W484-F593 AromaticContact CZ2-CD2 3.57Å; W484-F593 HydrophobicContact CZ2-CD2 3.57Å; W484-F593 AromaticContact CZ2-CE2 3.35Å; W484-F593 HydrophobicContact CZ2-CE2 3.35Å; W484-F593 AromaticContact NE1-CE2 3.79Å; K550-F593 HydrophobicContact CD-CE1 3.88Å; K550-F593 HydrophobicContact CD-CE2 4.24Å; K550-F593 HydrophobicContact CD-CZ 3.77Å; F551-F593 AromaticContact CE2-CD2 3.8Å; F551-F593 HydrophobicContact CE2-CD2 3.8Å; F551-F593 HydrophobicContact CE2-CE2 4.21Å; F551-F593 HydrophobicContact CE2-CG 4.31Å; F551-F593 HydrophobicContact CZ-CD2 4.24Å; F551-F593 HydrophobicContact CZ-CE2 4.24Å; E591-F593 HydrophobicContact CG-CE1 4.03Å; E591-F593 HydrophobicContact CG-CZ 3.98Å; F593-S595 PolarHBondContact O-N 2.86Å; F593-M596 HydrophobicContact CB-SD 4.25Å; F593-M596 HydrophobicContact CD2-SD 4.36Å
594D80.2Confident90.4Very high132 Ų13242.6 Ų42.671%0.70620%0.202SC*.SBendtrans-56.2-24.4176.3-66-33000113.2
595S86.4Confident90.6Very high11 Ų1144 Ų448%0.07721%0.205CC..SBendtrans-138.7110.4174.8-58.30000109.4F593F593-S595 PolarHBondContact O-N 2.86Å
596M88.9Confident90.5Very high8 Ų844.9 Ų44.94%0.03921%0.21CC..PPolyproline II helixtrans-81126.5179.8-65.7-64.2-67.900109.9W484 F593 D678 S681 Q682W484-M596 HydrophobicContact CH2-CE 4.08Å; W484-M596 HydrophobicContact CZ2-CE 3.82Å; W484-M596 HydrophobicContact CZ2-SD 4.4Å; F593-M596 HydrophobicContact CB-SD 4.25Å; F593-M596 HydrophobicContact CD2-SD 4.36Å; M596-D678 HydrophobicContact CG-CB 4.43Å; M596-S681 PolarHBondContact O-OG 3.17Å; M596-Q682 HydrophobicContact CB-CG 3.58Å
597P92.7Very high90.6Very high0 Ų040.6 Ų40.60%019%0.19CC..PPolyproline II helixtrans-82.4157.6-179.433.5-36.4000112.3Y489 C540 V541 L542 F551Y489-P597 PolarHBondContact OH-O 3.03Å; C540-P597 HydrophobicContact CB-CB 3.95Å; C540-P597 HydrophobicContact CB-CG 4.27Å; V541-P597 CarbonylContact O-C 3.39Å; V541-P597 WeakPolarHBondContact O-CA 3.37Å; V541-P597 WeakPolarHBondContact O-CB 3.45Å; L542-P597 HydrophobicContact CD2-CB 4.17Å; F551-P597 HydrophobicContact CD1-CG 4.31Å; F551-P597 HydrophobicContact CD2-CB 4.33Å; F551-P597 HydrophobicContact CD2-CG 3.67Å; F551-P597 HydrophobicContact CE1-CG 4.24Å; F551-P597 HydrophobicContact CE2-CG 3.6Å; F551-P597 HydrophobicContact CG-CB 4.46Å; F551-P597 HydrophobicContact CG-CG 4.01Å; F551-P597 HydrophobicContact CZ-CG 3.86Å
598A94.7Very high90.4Very high2 Ų233.9 Ų33.92%0.01716%0.161CC..EExtended strand (participates in β ladder)trans-75.4136.2160.800000110.4C540 V541 F600 S681 Q682 G684C540-A598 CarbonylContact C-O 3.51Å; C540-A598 WeakPolarHBondContact CA-O 3.31Å; V541-A598 HydrophobicContact CB-CB 4.32Å; V541-A598 PolarHBondContact N-O 2.78Å; V541-A598 PolarHBondContact O-N 3Å; A598-F600 HydrophobicContact CB-CE2 4.02Å; A598-S681 PolarHBondContact N-O 2.97Å; A598-Q682 VanDerWaalsContact CA-O 3.31Å; A598-Q682 WeakPolarHBondContact CA-O 3.37Å; A598-Q682 WeakPolarHBondContact CB-O 3.4Å; A598-G684 VanDerWaalsContact CB-CA 3.47Å
599L95.9Very high89.9Confident2 Ų230.4 Ų30.41%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-102.1129.2178.9-174.869.1000110.2L485 Y489 I491 Y538 V566L485-L599 HydrophobicContact CD2-CD1 3.95Å; L485-L599 HydrophobicContact CD2-CD2 4.06Å; Y489-L599 HydrophobicContact CD1-CB 3.52Å; Y489-L599 HydrophobicContact CD1-CD2 4.06Å; Y489-L599 HydrophobicContact CD1-CG 4.44Å; Y489-L599 HydrophobicContact CD2-CB 4.31Å; Y489-L599 HydrophobicContact CD2-CD2 3.81Å; Y489-L599 HydrophobicContact CE1-CB 3.57Å; Y489-L599 HydrophobicContact CE2-CB 4.38Å; Y489-L599 HydrophobicContact CG-CB 3.91Å; Y489-L599 HydrophobicContact CG-CD2 3.56Å; Y489-L599 HydrophobicContact CG-CG 4.38Å; I491-L599 HydrophobicContact CG2-CD2 3.96Å; Y538-L599 HydrophobicContact CD1-CD1 4.07Å; Y538-L599 HydrophobicContact CD1-CD2 4.2Å; Y538-L599 HydrophobicContact CD1-CG 4.36Å; Y538-L599 HydrophobicContact CG-CD1 4.44Å; V566-L599 HydrophobicContact CB-CB 4.27Å; V566-L599 HydrophobicContact CB-CD2 4.16Å; V566-L599 HydrophobicContact CB-CG 4.32Å; V566-L599 HydrophobicContact CG1-CD2 4.39Å; V566-L599 HydrophobicContact CG2-CD2 4.18Å; V566-L599 HydrophobicContact CG2-CG 4.19Å; V566-L599 PolarHBondContact N-O 3.32Å
600F96.2Very high88.9Confident3 Ų332.7 Ų32.71%0.01317%0.166CC..EExtended strand (participates in β ladder)trans-115.8145.2170.1-69.4-100.3000109.3Y538 Y539 V541 L560 L563 S564 P565 A598 V687Y538-F600 CarbonylContact C-O 3.53Å; Y538-F600 VanDerWaalsContact CA-O 3.32Å; Y538-F600 WeakPolarHBondContact CA-O 3.43Å; Y539-F600 HydrophobicContact CD1-CB 4.46Å; Y539-F600 HydrophobicContact CD1-CD2 4.46Å; Y539-F600 PolarHBondContact N-O 2.94Å; Y539-F600 PolarHBondContact O-N 2.82Å; V541-F600 HydrophobicContact CB-CE2 4.21Å; V541-F600 HydrophobicContact CG2-CD2 3.86Å; V541-F600 HydrophobicContact CG2-CE2 3.68Å; L560-F600 HydrophobicContact CD1-CD1 4.03Å; L560-F600 HydrophobicContact CD1-CD2 4.37Å; L560-F600 HydrophobicContact CD1-CE1 4.31Å; L560-F600 HydrophobicContact CD1-CG 4.07Å; L563-F600 HydrophobicContact CB-CB 3.82Å; L563-F600 HydrophobicContact CB-CD1 4.32Å; L563-F600 HydrophobicContact CD1-CB 3.97Å; S564-F600 CarbonylContact O-C 3.44Å; S564-F600 VanDerWaalsContact O-CA 3.23Å; S564-F600 WeakPolarHBondContact O-CA 3.44Å; P565-F600 HydrophobicContact CB-CD1 4.09Å; P565-F600 HydrophobicContact CB-CE1 3.74Å; P565-F600 HydrophobicContact CB-CZ 4.21Å; P565-F600 HydrophobicContact CG-CE1 4.39Å; A598-F600 HydrophobicContact CB-CE2 4.02Å; F600-V687 HydrophobicContact CE1-CG1 4.2Å; F600-V687 HydrophobicContact CE2-CG2 4.28Å; F600-V687 HydrophobicContact CZ-CB 3.89Å; F600-V687 HydrophobicContact CZ-CG1 3.96Å; F600-V687 HydrophobicContact CZ-CG2 3.95Å
601M95.8Very high88.5Confident0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-142.6159.7177.475.7179.3-77.900114.1I491 F494 I495 I537 Y538 S564 V566 T603I491-M601 HydrophobicContact CB-SD 4.14Å; I491-M601 HydrophobicContact CG2-SD 4.19Å; F494-M601 HydrophobicContact CB-CE 3.66Å; F494-M601 HydrophobicContact CB-CG 4.46Å; F494-M601 HydrophobicContact CB-SD 3.67Å; F494-M601 HydrophobicContact CD2-CG 4.09Å; F494-M601 HydrophobicContact CD2-SD 3.5Å; F494-M601 VanDerWaalsContact CD2-SD 3.5Å; F494-M601 HydrophobicContact CE2-SD 4.37Å; F494-M601 HydrophobicContact CG-CE 4.35Å; F494-M601 HydrophobicContact CG-CG 4.17Å; F494-M601 HydrophobicContact CG-SD 3.75Å; I495-M601 HydrophobicContact CD1-CE 4.35Å; I495-M601 HydrophobicContact CG1-CE 4.22Å; I495-M601 HydrophobicContact CG2-CE 3.8Å; I537-M601 CarbonylContact O-C 3.54Å; I537-M601 WeakPolarHBondContact O-CA 3.47Å; I537-M601 WeakPolarHBondContact O-CB 3.29Å; Y538-M601 HydrophobicContact CD1-CB 3.75Å; Y538-M601 HydrophobicContact CE1-CB 3.92Å; Y538-M601 HydrophobicContact CE1-CE 4.17Å; Y538-M601 HydrophobicContact CE1-SD 4.13Å; S564-M601 PolarHBondContact N-O 3.42Å; S564-M601 PolarHBondContact O-N 3.43Å; V566-M601 HydrophobicContact CG2-CB 3.99Å; V566-M601 HydrophobicContact CG2-CG 3.47Å; V566-M601 VanDerWaalsContact CG2-CG 3.47Å; V566-M601 HydrophobicContact CG2-SD 3.7Å; M601-T603 HydrophobicContact CE-CG2 4.35Å
602T95.4Very high88.3Confident1 Ų130.5 Ų30.51%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-150.6164.4167.9-159.70000111.6I537 K562 L563 L607I537-T602 HydrophobicContact CB-CG2 4.2Å; I537-T602 PolarHBondContact N-O 3.42Å; I537-T602 PolarHBondContact O-N 2.81Å; K562-T602 PolarHBondContact O-OG1 3.11Å; L563-T602 HydrophobicContact CD2-CG2 3.38Å; T602-L607 HydrophobicContact CG2-CD1 4.23Å; T602-L607 HydrophobicContact CG2-CD2 4.24Å; T602-L607 HydrophobicContact CG2-CG 4.29Å; T602-L607 WeakPolarHBondContact OG1-CG 3.3Å
603T94.7Very high88.6Confident7 Ų725.4 Ų25.44%0.04313%0.133CC..EExtended strand (participates in β ladder)trans-139.9165.1176.267.70000109.4I495 T535 M601 K605 L606 L607I495-T603 HydrophobicContact CG2-CG2 3.57Å; T535-T603 WeakPolarHBondContact O-CB 3.19Å; T535-T603 WeakPolarHBondContact O-CG2 3.32Å; M601-T603 HydrophobicContact CE-CG2 4.35Å; T603-K605 PolarHBondContact O-N 3.37Å; T603-L606 HydrophobicContact CG2-CD1 4.32Å; T603-L606 PolarHBondContact O-N 3.13Å; T603-L606 VanDerWaalsContact O-N 3.14Å; T603-L606 WeakPolarHBondContact OG1-CG 3.26Å; T603-L606 PolarHBondContact OG1-N 3.3Å; T603-L606 VanDerWaalsContact OG1-N 3.13Å; T603-L607 VanDerWaalsContact O-CG 3.28Å; T603-L607 WeakPolarHBondContact O-CG 3.48Å; T603-L607 PolarHBondContact O-N 2.98Å
604A91.7Very high89Confident19 Ų1925 Ų2516%0.15713%0.132CC..Hα-helixtrans-58.5-36.217700000112.3V46 L529 L607 M608V46-A604 HydrophobicContact CG2-CB 3.94Å; L529-A604 HydrophobicContact CD1-CB 4.1Å; A604-L607 PolarHBondContact O-N 3.18Å; A604-M608 PolarHBondContact O-N 2.84Å
605K89.4Confident89.6Confident44 Ų4418.9 Ų18.919%0.19110%0.099CC..Hα-helixtrans-61.1-52.7172.5179.6-179.8172.1-166.90111.5E43 T603 L607 M608 E609E43-K605 IonicContact OE2-NZ 2.7Å; E43-K605 PolarHBondContact OE2-NZ 2.89Å; T603-K605 PolarHBondContact O-N 3.37Å; K605-L607 VanDerWaalsContact C-N 3.27Å; K605-L607 PolarHBondContact O-N 3.01Å; K605-M608 CarbonylContact O-C 3.18Å; K605-M608 PolarHBondContact O-N 2.98Å; K605-E609 VanDerWaalsContact CE-OE1 3.31Å; K605-E609 WeakPolarHBondContact CE-OE1 3.44Å; K605-E609 HydrophobicContact CG-CG 4.47Å; K605-E609 WeakPolarHBondContact CG-OE1 3.3Å; K605-E609 WeakPolarHBondContact O-CG 3.43Å; K605-E609 PolarHBondContact O-N 3.28Å
606L90.5Very high89.9Confident24 Ų2418.4 Ų18.413%0.12610%0.096CC..Hα-helixtrans-63-31.3179-68.9173.6000113.4F494 T603 M608F494-L606 HydrophobicContact CB-CD1 4.18Å; F494-L606 HydrophobicContact CD1-CD1 3.87Å; F494-L606 HydrophobicContact CD1-CD2 4.33Å; F494-L606 HydrophobicContact CG-CD1 4.39Å; T603-L606 HydrophobicContact CG2-CD1 4.32Å; T603-L606 PolarHBondContact O-N 3.13Å; T603-L606 VanDerWaalsContact O-N 3.14Å; T603-L606 WeakPolarHBondContact OG1-CG 3.26Å; T603-L606 PolarHBondContact OG1-N 3.3Å; T603-L606 VanDerWaalsContact OG1-N 3.13Å; L606-M608 VanDerWaalsContact C-N 3.26Å; L606-M608 PolarHBondContact O-N 3.18Å
607L90.9Very high90.2Very high9 Ų918.3 Ų18.35%0.04710%0.095CC..Hα-helixtrans-71.5-21.8176-68.2168.4000112.8E522 L525 R526 L529 K562 T602 T603 A604 K605E522-L607 HydrophobicContact CG-CD2 4.31Å; L525-L607 HydrophobicContact CB-CD1 3.59Å; L525-L607 HydrophobicContact CB-CD2 4.44Å; L525-L607 HydrophobicContact CD1-CD1 4.44Å; L525-L607 HydrophobicContact CD1-CD2 3.9Å; R526-L607 HydrophobicContact CG-CB 3.99Å; R526-L607 HydrophobicContact CG-CD1 3.76Å; L529-L607 HydrophobicContact CD1-CD1 4.13Å; K562-L607 HydrophobicContact CB-CD2 4.12Å; T602-L607 HydrophobicContact CG2-CD1 4.23Å; T602-L607 HydrophobicContact CG2-CD2 4.24Å; T602-L607 HydrophobicContact CG2-CG 4.29Å; T602-L607 WeakPolarHBondContact OG1-CG 3.3Å; T603-L607 VanDerWaalsContact O-CG 3.28Å; T603-L607 WeakPolarHBondContact O-CG 3.48Å; T603-L607 PolarHBondContact O-N 2.98Å; A604-L607 PolarHBondContact O-N 3.18Å; K605-L607 VanDerWaalsContact C-N 3.27Å; K605-L607 PolarHBondContact O-N 3.01Å
608M86.1Confident90.4Very high18 Ų1818.3 Ų18.39%0.08910%0.095CC..Hα-helixtrans-103.2-13.5179.7-80.2-81.7-6500113.3V46 A112 R526 A604 K605 L606 P610V46-M608 HydrophobicContact CG1-CB 3.83Å; V46-M608 HydrophobicContact CG1-CE 4.12Å; V46-M608 HydrophobicContact CG1-CG 3.39Å; V46-M608 HydrophobicContact CG1-SD 4.44Å; V46-M608 WeakPolarHBondContact O-CB 3.43Å; A112-M608 HydrophobicContact CB-CE 3.64Å; R526-M608 VanDerWaalsContact CZ-SD 3.53Å; R526-M608 PolarHBondContact NH1-SD 3.19Å; A604-M608 PolarHBondContact O-N 2.84Å; K605-M608 CarbonylContact O-C 3.18Å; K605-M608 PolarHBondContact O-N 2.98Å; L606-M608 VanDerWaalsContact C-N 3.26Å; L606-M608 PolarHBondContact O-N 3.18Å; M608-P610 WeakPolarHBondContact O-CD 3.5Å
609E79.5Confident90.5Very high60 Ų6018.3 Ų18.328%0.2810%0.095SC..SBendtrans-82.7106.8165.8-67.7-176.5179.200109.3K605 K611K605-E609 VanDerWaalsContact CE-OE1 3.31Å; K605-E609 WeakPolarHBondContact CE-OE1 3.44Å; K605-E609 HydrophobicContact CG-CG 4.47Å; K605-E609 WeakPolarHBondContact CG-OE1 3.3Å; K605-E609 WeakPolarHBondContact O-CG 3.43Å; K605-E609 PolarHBondContact O-N 3.28Å; E609-K611 PolarHBondContact O-N 3.39Å; E609-K611 VanDerWaalsContact O-N 3.16Å
610P70.5Confident90.6Very high52 Ų5218.2 Ų18.234%0.3389%0.094SC..PPolyproline II helixtrans-68.1121.117629.5-25.8000108.2K383 M608K383-P610 HydrophobicContact CD-CB 4.38Å; M608-P610 WeakPolarHBondContact O-CD 3.5Å
611K82.5Confident90.6Very high41 Ų4118.2 Ų18.218%0.17810%0.095CC..PPolyproline II helixtrans-65.6142.5165.1-62.5-177.8-178.9-178.10109.3S564 E609 I613 P638 Y639 R641S564-K611 WeakPolarHBondContact OG-CE 3.45Å; S564-K611 PolarHBondContact OG-NZ 3.03Å; E609-K611 PolarHBondContact O-N 3.39Å; E609-K611 VanDerWaalsContact O-N 3.16Å; K611-I613 PolarHBondContact O-N 2.91Å; K611-P638 WeakPolarHBondContact CE-O 3.42Å; K611-Y639 WeakPolarHBondContact CA-O 3.26Å; K611-R641 HydrophobicContact CD-CB 4.42Å
612E84.9Confident90.6Very high42 Ų4218.9 Ų18.920%0.19610%0.102CC..EExtended strand (participates in β ladder)trans-68.7121.1168-71-61.3150.200108.4Y639 V640 R641 P1093E612-Y639 PolarHBondContact N-O 3.13Å; E612-V640 CarbonylContact O-C 3.54Å; E612-V640 WeakPolarHBondContact O-CA 3.28Å; E612-R641 PolarHBondContact O-N 3.47Å; E612-P1093 HydrophobicContact CG-CG 4.42Å
613I89.5Confident90.5Very high24 Ų2420 Ų2012%0.12311%0.111CC..EExtended strand (participates in β ladder)trans-95.4116.5-179.8-60.4168.3000107.5C378 K611 R641 T643C378-I613 HydrophobicContact CB-CB 4.2Å; K611-I613 PolarHBondContact O-N 2.91Å; I613-R641 WeakPolarHBondContact CA-O 3.47Å; I613-R641 VanDerWaalsContact CD1-NH2 3.35Å; I613-T643 HydrophobicContact CG2-CG2 3.62Å
614I92Very high90.6Very high25 Ų2520.8 Ų20.813%0.12812%0.117CC..EExtended strand (participates in β ladder)trans-105.9116.6-179.9-56.7-59.4000109.2A616 V640 R641 F642 T643 F1091I614-A616 HydrophobicContact CG2-CB 3.81Å; I614-V640 HydrophobicContact CB-CG1 4.45Å; I614-V640 HydrophobicContact CG1-CG1 3.66Å; I614-R641 PolarHBondContact N-O 3.42Å; I614-F642 HydrophobicContact CB-CD1 3.76Å; I614-F642 HydrophobicContact CB-CE1 3.94Å; I614-F642 HydrophobicContact CG1-CE1 4.28Å; I614-F642 HydrophobicContact CG2-CD1 3.78Å; I614-F642 HydrophobicContact CG2-CE1 3.8Å; I614-F642 WeakPolarHBondContact O-CA 3.4Å; I614-T643 PolarHBondContact O-N 3.48Å; I614-T643 PolarHBondContact O-OG1 2.93Å; I614-F1091 HydrophobicContact CD1-CB 3.84Å; I614-F1091 HydrophobicContact CD1-CD1 4.09Å; I614-F1091 HydrophobicContact CD1-CG 4.17Å; I614-F1091 HydrophobicContact CG1-CB 4.06Å; I614-F1091 HydrophobicContact CG1-CD1 4.4Å; I614-F1091 HydrophobicContact CG1-CG 4.2Å; I614-F1091 HydrophobicContact CG2-CD1 3.74Å; I614-F1091 HydrophobicContact CG2-CD2 4.46Å; I614-F1091 HydrophobicContact CG2-CE1 3.78Å; I614-F1091 HydrophobicContact CG2-CG 4.09Å; I614-F1091 HydrophobicContact CG2-CZ 4.18Å
615N92.7Very high90.8Very high4 Ų421.3 Ų21.32%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-89-7.9-179.1-74.1-21.8000114R374 E399 Y401 R617 T643 N644R374-N615 CarbonylContact O-C 3.58Å; R374-N615 VanDerWaalsContact O-C 3.31Å; R374-N615 WeakPolarHBondContact O-CB 3.32Å; E399-N615 HydrophobicContact CG-CB 3.76Å; Y401-N615 PolarHBondContact OH-ND2 3.45Å; Y401-N615 PolarHBondContact OH-OD1 2.92Å; N615-R617 PolarHBondContact O-N 3.3Å; N615-T643 WeakPolarHBondContact CA-OG1 3.23Å; N615-T643 PolarHBondContact OD1-OG1 2.86Å; N615-N644 PolarHBondContact O-ND2 3.19Å
616A93.1Very high91.2Very high2 Ų219.2 Ų19.22%0.01711%0.109CC..EExtended strand (participates in β ladder)trans-56131.7178.900000110.5R374 L375 I614 I618 D717 Y718 F1091R374-A616 PolarHBondContact O-N 3.11Å; L375-A616 HydrophobicContact CD2-CB 3.97Å; I614-A616 HydrophobicContact CG2-CB 3.81Å; A616-I618 PolarHBondContact O-N 2.83Å; A616-D717 WeakPolarHBondContact CA-OD2 3.46Å; A616-D717 HydrophobicContact CB-CB 4.37Å; A616-Y718 HydrophobicContact CB-CD2 4.3Å; A616-Y718 HydrophobicContact CB-CE2 4.25Å; A616-F1091 HydrophobicContact CB-CE1 3.96Å; A616-F1091 HydrophobicContact CB-CZ 4.04Å
617R94.8Very high91.5Very high6 Ų618.1 Ų18.12%0.02310%0.103CC..EExtended strand (participates in β ladder)trans-83.6109.3175.1-171.4-179.6-65.7160.84.7110.1R374 D395 P396 N615 I619 N644 V646 S715 D717 Y718R374-R617 VanDerWaalsContact NH1-NH1 3.16Å; D395-R617 IonicContact OD1-CZ 2.76Å; D395-R617 IonicContact OD1-NH1 2.71Å; D395-R617 PolarHBondContact OD1-NH1 3.23Å; D395-R617 IonicContact OD1-NH2 2.66Å; P396-R617 PolarHBondContact O-NH2 3.04Å; P396-R617 VanDerWaalsContact O-NH2 3.09Å; N615-R617 PolarHBondContact O-N 3.3Å; R617-I619 HydrophobicContact CG-CG1 4.14Å; R617-N644 WeakPolarHBondContact CA-O 3.25Å; R617-N644 HydrophobicContact CB-CB 4.05Å; R617-N644 HydrophobicContact CG-CB 4.18Å; R617-V646 HydrophobicContact CG-CG2 4.23Å; R617-S715 WeakPolarHBondContact CD-O 3.42Å; R617-S715 PolarHBondContact NH1-O 2.97Å; R617-S715 PolarHBondContact NH1-OG 3.23Å; R617-D717 PolarHBondContact N-OD2 3.42Å; R617-D717 PolarHBondContact O-N 3.49Å; R617-Y718 PolarHBondContact O-N 2.75Å; R617-Y718 VanDerWaalsContact O-N 3.16Å
618I96.5Very high91.8Very high0 Ų018 Ų180%010%0.102CC..EExtended strand (participates in β ladder)trans-105.3112.6179.4-56.6178.6000107.5A616 I620 F642 N644 L645 V646 Y718 I720 F1091A616-I618 PolarHBondContact O-N 2.83Å; I618-I620 HydrophobicContact CG2-CG1 4.45Å; I618-F642 HydrophobicContact CD1-CD1 3.76Å; I618-F642 HydrophobicContact CD1-CE1 3.58Å; I618-F642 HydrophobicContact CD1-CZ 4.45Å; I618-N644 PolarHBondContact N-O 3.06Å; I618-N644 VanDerWaalsContact N-O 3.09Å; I618-L645 HydrophobicContact CB-CD2 3.91Å; I618-L645 HydrophobicContact CD1-CD2 4.04Å; I618-L645 HydrophobicContact CG1-CD2 4.38Å; I618-L645 HydrophobicContact CG2-CD2 4.42Å; I618-V646 PolarHBondContact O-N 3.46Å; I618-Y718 WeakPolarHBondContact CA-O 3.34Å; I618-Y718 HydrophobicContact CG1-CD2 4.34Å; I618-I720 HydrophobicContact CG2-CD1 3.3Å; I618-I720 HydrophobicContact CG2-CG1 4.38Å; I618-F1091 HydrophobicContact CD1-CE2 3.88Å; I618-F1091 HydrophobicContact CD1-CZ 4.14Å
619I97.2Very high92.4Very high1 Ų117.1 Ų17.11%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-103.3115178.4-52-171.2000109.2R617 V621 V646 L648 I706 I714 Y718 L719 I720R617-I619 HydrophobicContact CG-CG1 4.14Å; I619-V621 HydrophobicContact CG2-CG2 4.34Å; I619-V646 CarbonylContact C-O 3.55Å; I619-V646 WeakPolarHBondContact CA-O 3.48Å; I619-V646 HydrophobicContact CG1-CB 4.16Å; I619-V646 HydrophobicContact CG2-CB 4.46Å; I619-V646 HydrophobicContact CG2-CG1 4.37Å; I619-L648 HydrophobicContact CG2-CB 4.28Å; I619-I706 HydrophobicContact CD1-CD1 3.89Å; I619-I706 HydrophobicContact CD1-CG1 4.32Å; I619-I706 HydrophobicContact CG2-CD1 3.94Å; I619-I714 HydrophobicContact CD1-CG2 3.89Å; I619-Y718 PolarHBondContact N-O 3.43Å; I619-L719 HydrophobicContact CB-CD1 4.06Å; I619-L719 HydrophobicContact CG2-CD1 4.19Å; I619-I720 PolarHBondContact O-N 3.38Å
620I98.1Very high93.3Very high0 Ų014.2 Ų14.20%09%0.085CC..EExtended strand (participates in β ladder)trans-96.6123.7173.7-63.2164.6000108.2I618 V630 L631 V646 L647 L648 I720 T722I618-I620 HydrophobicContact CG2-CG1 4.45Å; I620-V630 HydrophobicContact CD1-CB 4.23Å; I620-V630 HydrophobicContact CD1-CG1 3.69Å; I620-V630 HydrophobicContact CG1-CG1 4.42Å; I620-L631 HydrophobicContact CD1-CD2 3.46Å; I620-L631 VanDerWaalsContact CD1-CD2 3.46Å; I620-L631 HydrophobicContact CD1-CG 3.66Å; I620-V646 PolarHBondContact N-O 2.79Å; I620-L647 HydrophobicContact CB-CD1 4.42Å; I620-L647 HydrophobicContact CG2-CD1 4.17Å; I620-L647 WeakPolarHBondContact O-CA 3.34Å; I620-L648 PolarHBondContact O-N 3.21Å; I620-I720 CarbonylContact C-O 3.52Å; I620-I720 WeakPolarHBondContact CA-O 3.32Å; I620-I720 HydrophobicContact CD1-CD1 4.35Å; I620-I720 HydrophobicContact CG1-CB 3.99Å; I620-I720 HydrophobicContact CG1-CD1 3.69Å; I620-I720 HydrophobicContact CG1-CG1 4.47Å; I620-I720 HydrophobicContact CG1-CG2 4.23Å; I620-I720 HydrophobicContact CG2-CG2 4.46Å; I620-T722 WeakPolarHBondContact CG2-OG1 3.38Å
621V97.5Very high94.5Very high4 Ų411.8 Ų11.82%0.0247%0.069CC..EExtended strand (participates in β ladder)trans-103.1117.6-177.2-173.20000109.8I619 L648 L696 L719 I720 T722 T723I619-V621 HydrophobicContact CG2-CG2 4.34Å; V621-L648 HydrophobicContact CG1-CD2 4.12Å; V621-L648 HydrophobicContact CG1-CG 4.42Å; V621-L648 HydrophobicContact CG2-CB 4.43Å; V621-L648 HydrophobicContact CG2-CD2 4.18Å; V621-L696 HydrophobicContact CG1-CB 3.89Å; V621-L696 HydrophobicContact CG1-CD2 4.06Å; V621-L696 HydrophobicContact CG2-CD2 4.37Å; V621-L719 HydrophobicContact CG2-CD1 3.61Å; V621-I720 PolarHBondContact N-O 3.38Å; V621-T722 CarbonylContact O-C 3.53Å; V621-T722 WeakPolarHBondContact O-CA 3.23Å; V621-T722 PolarHBondContact O-N 2.96Å; V621-T722 PolarHBondContact O-OG1 3.28Å; V621-T723 HydrophobicContact CB-CG2 4.5Å; V621-T723 HydrophobicContact CG1-CG2 3.79Å; V621-T723 PolarHBondContact O-N 2.98Å
622G94.7Very high95.2Very high14 Ų149.9 Ų9.914%0.1446%0.06CC..  trans94.1121.5179.700000112.5S624 L648 T722G622-S624 PolarHBondContact O-N 3.05Å; G622-L648 PolarHBondContact N-O 3.36Å; G622-T722 PolarHBondContact O-OG1 2.86Å
623A94.3Very high95.7Very high25 Ų2510.8 Ų10.821%0.2076%0.064CC..  trans-79.247.9172.900000112.3L647 S649 P654A623-L647 HydrophobicContact CB-CD1 4.41Å; A623-L647 HydrophobicContact CB-CD2 4.12Å; A623-S649 WeakPolarHBondContact CB-OG 3.47Å; A623-P654 HydrophobicContact CB-CG 4.13Å
624S95.2Very high96Very high23 Ų239.7 Ų9.716%0.1616%0.058CC..SBendtrans-78.6166.5173.670.10000110.9G622 T626 G627 L628 T722G622-S624 PolarHBondContact O-N 3.05Å; S624-T626 PolarHBondContact O-N 3.12Å; S624-T626 VanDerWaalsContact O-N 3.16Å; S624-T626 PolarHBondContact OG-N 3.15Å; S624-G627 PolarHBondContact O-N 3.16Å; S624-G627 PolarHBondContact OG-N 3.06Å; S624-G627 VanDerWaalsContact OG-N 3.15Å; S624-L628 WeakPolarHBondContact O-CG 3.45Å; S624-L628 PolarHBondContact O-N 3.41Å; S624-T722 VanDerWaalsContact CB-O 3.27Å; S624-T722 WeakPolarHBondContact CB-O 3.21Å; S624-T722 PolarHBondContact OG-O 3.19Å
625T96.4Very high96.1Very high30 Ų309.1 Ų9.118%0.1846%0.056CC..Hα-helixtrans-48.1-41.9169.8-54.70000112.3A629 D672 A674 Y675 M1077T625-A629 WeakPolarHBondContact O-CB 3.37Å; T625-A629 PolarHBondContact O-N 3.44Å; T625-D672 WeakPolarHBondContact CB-OD2 3.46Å; T625-D672 WeakPolarHBondContact CG2-OD2 3.48Å; T625-D672 PolarHBondContact OG1-OD2 3.1Å; T625-A674 HydrophobicContact CG2-CB 3.46Å; T625-A674 VanDerWaalsContact CG2-CB 3.46Å; T625-Y675 HydrophobicContact CG2-CD2 3.89Å; T625-Y675 HydrophobicContact CG2-CE2 3.86Å; T625-Y675 WeakPolarHBondContact O-CE2 3.31Å; T625-M1077 HydrophobicContact CG2-CB 4.24Å
626T97.4Very high96.1Very high0 Ų010.1 Ų10.10%06%0.062CC..Hα-helixtrans-66.3-44177-55.60000112.1S624 A629 V630 T722 A1054 S1076 I1079S624-T626 PolarHBondContact O-N 3.12Å; S624-T626 VanDerWaalsContact O-N 3.16Å; S624-T626 PolarHBondContact OG-N 3.15Å; T626-A629 PolarHBondContact O-N 2.63Å; T626-V630 WeakPolarHBondContact O-CG2 3.45Å; T626-V630 PolarHBondContact O-N 3.25Å; T626-V630 VanDerWaalsContact O-N 3.07Å; T626-T722 HydrophobicContact CG2-CG2 3.86Å; T626-A1054 HydrophobicContact CG2-CB 3.75Å; T626-S1076 WeakPolarHBondContact CA-O 3.38Å; T626-S1076 WeakPolarHBondContact OG1-CB 3.23Å; T626-S1076 PolarHBondContact OG1-O 3.1Å; T626-S1076 VanDerWaalsContact OG1-O 3.12Å; T626-I1079 HydrophobicContact CG2-CG2 4.03Å
627G97.6Very high96Very high0 Ų010.6 Ų10.60%07%0.065CC..Hα-helixtrans-64.4-40.3177.600000112.8S624 V630 L631 T722S624-G627 PolarHBondContact O-N 3.16Å; S624-G627 PolarHBondContact OG-N 3.06Å; S624-G627 VanDerWaalsContact OG-N 3.15Å; G627-V630 PolarHBondContact O-N 2.68Å; G627-L631 PolarHBondContact O-N 3.29Å; G627-T722 WeakPolarHBondContact CA-OG1 3.49Å
628L97.6Very high95.5Very high6 Ų612.8 Ų12.83%0.0318%0.08CC..Hα-helixtrans-66-37.9175.7-65.1170.8000111.9S624 L631 E632 L653 P654 Y675 L680 F685S624-L628 WeakPolarHBondContact O-CG 3.45Å; S624-L628 PolarHBondContact O-N 3.41Å; L628-L631 WeakPolarHBondContact O-CB 3.37Å; L628-L631 PolarHBondContact O-N 3.3Å; L628-E632 WeakPolarHBondContact O-CB 3.3Å; L628-E632 PolarHBondContact O-N 2.83Å; L628-L653 HydrophobicContact CD2-CD2 4.35Å; L628-P654 HydrophobicContact CD1-CG 4.25Å; L628-Y675 HydrophobicContact CB-CD1 4.48Å; L628-Y675 HydrophobicContact CB-CD2 3.9Å; L628-Y675 HydrophobicContact CB-CE1 4.38Å; L628-Y675 HydrophobicContact CB-CE2 3.79Å; L628-Y675 HydrophobicContact CB-CG 4.28Å; L628-Y675 HydrophobicContact CD1-CD2 4.04Å; L628-Y675 HydrophobicContact CD1-CG 4.11Å; L628-L680 HydrophobicContact CD1-CD2 4.18Å; L628-L680 HydrophobicContact CD2-CD2 4.36Å; L628-F685 HydrophobicContact CD2-CD2 4.46Å; L628-F685 HydrophobicContact CD2-CE2 4.05Å
629A97.9Very high94.9Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-67.6-36.5174.900000113.5T625 T626 K633 Y675 M1077 H1081T625-A629 WeakPolarHBondContact O-CB 3.37Å; T625-A629 PolarHBondContact O-N 3.44Å; T626-A629 PolarHBondContact O-N 2.63Å; A629-K633 WeakPolarHBondContact O-CB 3.34Å; A629-K633 PolarHBondContact O-N 2.8Å; A629-Y675 WeakPolarHBondContact CA-OH 3.48Å; A629-Y675 HydrophobicContact CB-CE2 4.22Å; A629-Y675 VanDerWaalsContact CB-OH 3.23Å; A629-Y675 WeakPolarHBondContact CB-OH 3.2Å; A629-Y675 PolarHBondContact N-OH 3.28Å; A629-M1077 HydrophobicContact CB-CG 4.07Å; A629-M1077 WeakPolarHBondContact CB-O 3.39Å; A629-H1081 PolarHBondContact O-CD2 3.01Å
630V97.9Very high94.5Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-61.6-48.4169.8176.50000109.9I620 T626 G627 E632 K633 L634 I720 G1080 L1083 L1087I620-V630 HydrophobicContact CD1-CB 4.23Å; I620-V630 HydrophobicContact CD1-CG1 3.69Å; I620-V630 HydrophobicContact CG1-CG1 4.42Å; T626-V630 WeakPolarHBondContact O-CG2 3.45Å; T626-V630 PolarHBondContact O-N 3.25Å; T626-V630 VanDerWaalsContact O-N 3.07Å; G627-V630 PolarHBondContact O-N 2.68Å; V630-E632 PolarHBondContact O-N 3.06Å; V630-K633 PolarHBondContact O-N 3.34Å; V630-L634 HydrophobicContact CG1-CD1 3.93Å; V630-L634 HydrophobicContact CG1-CG 4.36Å; V630-L634 VanDerWaalsContact O-CG 3.32Å; V630-L634 WeakPolarHBondContact O-CG 3.44Å; V630-L634 PolarHBondContact O-N 2.86Å; V630-I720 HydrophobicContact CG1-CD1 4.32Å; V630-G1080 VanDerWaalsContact CG2-O 3.32Å; V630-G1080 WeakPolarHBondContact CG2-O 3.37Å; V630-L1083 HydrophobicContact CG2-CB 4.1Å; V630-L1083 HydrophobicContact CG2-CD2 3.83Å; V630-L1083 HydrophobicContact CG2-CG 4.01Å; V630-L1087 HydrophobicContact CG1-CD1 3.81Å
631L97.5Very high94.1Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-59.8-46.5178.1-77.3175.8000112.5I620 G627 L628 K633 L634 V635 L647 F685 V689I620-L631 HydrophobicContact CD1-CD2 3.46Å; I620-L631 VanDerWaalsContact CD1-CD2 3.46Å; I620-L631 HydrophobicContact CD1-CG 3.66Å; G627-L631 PolarHBondContact O-N 3.29Å; L628-L631 WeakPolarHBondContact O-CB 3.37Å; L628-L631 PolarHBondContact O-N 3.3Å; L631-K633 VanDerWaalsContact C-N 3.3Å; L631-K633 PolarHBondContact O-N 3.39Å; L631-L634 PolarHBondContact O-N 2.78Å; L631-V635 VanDerWaalsContact O-CB 3.3Å; L631-V635 WeakPolarHBondContact O-CB 3.37Å; L631-V635 VanDerWaalsContact O-CG2 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.22Å; L631-V635 PolarHBondContact O-N 3.49Å; L631-L647 HydrophobicContact CD1-CB 4.31Å; L631-L647 HydrophobicContact CD1-CD1 4.21Å; L631-L647 HydrophobicContact CD1-CD2 4.12Å; L631-L647 HydrophobicContact CD1-CG 4.45Å; L631-F685 HydrophobicContact CB-CD1 4.34Å; L631-F685 HydrophobicContact CB-CE1 3.74Å; L631-F685 HydrophobicContact CB-CE2 4.38Å; L631-F685 HydrophobicContact CB-CZ 3.75Å; L631-V689 HydrophobicContact CD1-CG1 4.35Å; L631-V689 HydrophobicContact CD2-CG1 4.04Å; L631-V689 HydrophobicContact CD2-CG2 3.75Å
632E96.7Very high93.9Very high1 Ų122.8 Ų22.81%0.00512%0.12CC..Hα-helixtrans-53-52.5176.4180177.5176.700109.6K567 L628 V630 L634 V635 T636 Y675 Y679 L683 F685 H1081K567-E632 WeakPolarHBondContact CE-OE1 3.39Å; K567-E632 IonicContact NZ-OE1 2.98Å; K567-E632 PolarHBondContact NZ-OE1 3.21Å; L628-E632 WeakPolarHBondContact O-CB 3.3Å; L628-E632 PolarHBondContact O-N 2.83Å; V630-E632 PolarHBondContact O-N 3.06Å; E632-L634 PolarHBondContact O-N 2.96Å; E632-V635 PolarHBondContact O-N 2.84Å; E632-T636 HydrophobicContact CG-CG2 4.32Å; E632-T636 WeakPolarHBondContact O-CB 3.38Å; E632-T636 WeakPolarHBondContact O-CG2 3.32Å; E632-T636 PolarHBondContact O-N 3.02Å; E632-T636 PolarHBondContact O-OG1 3.44Å; E632-Y675 WeakPolarHBondContact OE2-CE1 3.36Å; E632-Y675 VanDerWaalsContact OE2-CZ 3.31Å; E632-Y675 PolarHBondContact OE2-OH 2.99Å; E632-Y679 PolarHBondContact OE1-OH 3.26Å; E632-L683 HydrophobicContact CB-CD1 4.5Å; E632-L683 HydrophobicContact CG-CD1 4.43Å; E632-L683 HydrophobicContact CG-CD2 3.98Å; E632-F685 HydrophobicContact CB-CE1 4.46Å; E632-F685 HydrophobicContact CB-CZ 4.03Å; E632-H1081 IonicContact OE2-NE2 2.77Å
633K95.4Very high93.7Very high61 Ų6123.6 Ų23.627%0.26512%0.122SC..Hα-helixtrans-61.4-41.1-177.5-17363.9-175.2-149.60113.4A629 V630 L631 D1085 L1088A629-K633 WeakPolarHBondContact O-CB 3.34Å; A629-K633 PolarHBondContact O-N 2.8Å; V630-K633 PolarHBondContact O-N 3.34Å; L631-K633 VanDerWaalsContact C-N 3.3Å; L631-K633 PolarHBondContact O-N 3.39Å; K633-D1085 WeakPolarHBondContact CE-OD1 3.37Å; K633-D1085 IonicContact NZ-OD1 2.98Å; K633-D1085 PolarHBondContact NZ-OD1 2.82Å; K633-D1085 IonicContact NZ-OD2 2.82Å; K633-L1088 HydrophobicContact CG-CD1 4.2Å
634L95.6Very high93.6Very high1 Ų123.1 Ų23.11%0.00512%0.116CC..Hα-helixtrans-73.8-38.6-179.8-64.5179.2000112.4V630 L631 E632 F642 L645 L1087 L1088V630-L634 HydrophobicContact CG1-CD1 3.93Å; V630-L634 HydrophobicContact CG1-CG 4.36Å; V630-L634 VanDerWaalsContact O-CG 3.32Å; V630-L634 WeakPolarHBondContact O-CG 3.44Å; V630-L634 PolarHBondContact O-N 2.86Å; L631-L634 PolarHBondContact O-N 2.78Å; E632-L634 PolarHBondContact O-N 2.96Å; L634-F642 HydrophobicContact CB-CD2 4.19Å; L634-F642 HydrophobicContact CB-CE2 3.92Å; L634-F642 HydrophobicContact CD2-CE2 3.8Å; L634-F642 HydrophobicContact CD2-CZ 3.84Å; L634-F642 HydrophobicContact CG-CE2 4.35Å; L634-L645 HydrophobicContact CB-CD1 4.23Å; L634-L645 HydrophobicContact CD1-CD2 4.07Å; L634-L1087 HydrophobicContact CD1-CD1 4.32Å; L634-L1087 HydrophobicContact CD2-CB 4.19Å; L634-L1088 HydrophobicContact CD2-CD2 3.92Å; L634-L1088 HydrophobicContact CD2-CG 3.95Å
635V94.9Very high93.6Very high13 Ų1322.3 Ų22.38%0.07911%0.11CC..Hα-helixtrans-76.5-40.6-177171.20000111.8P565 L631 E632 C637 L645 F685 C688 V689P565-V635 HydrophobicContact CB-CG1 4.32Å; P565-V635 HydrophobicContact CG-CG1 3.82Å; P565-V635 WeakPolarHBondContact CG-O 3.3Å; L631-V635 VanDerWaalsContact O-CB 3.3Å; L631-V635 WeakPolarHBondContact O-CB 3.37Å; L631-V635 VanDerWaalsContact O-CG2 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.22Å; L631-V635 PolarHBondContact O-N 3.49Å; E632-V635 PolarHBondContact O-N 2.84Å; V635-C637 PolarHBondContact O-N 3.4Å; V635-L645 HydrophobicContact CG2-CD1 3.93Å; V635-F685 HydrophobicContact CB-CD1 4.43Å; V635-F685 HydrophobicContact CB-CE1 4.32Å; V635-F685 HydrophobicContact CG2-CD1 4.15Å; V635-F685 HydrophobicContact CG2-CE1 4.28Å; V635-C688 HydrophobicContact CG1-CB 3.88Å; V635-C688 HydrophobicContact CG2-CB 3.94Å; V635-V689 HydrophobicContact CG2-CG2 4.05Å
636T92.2Very high93.5Very high26 Ų2621.3 Ų21.316%0.1610%0.103CC..SBendtrans-81.64.9-179.168.20000113.2K567 E632 P638 L683K567-T636 HydrophobicContact CB-CG2 4.06Å; E632-T636 HydrophobicContact CG-CG2 4.32Å; E632-T636 WeakPolarHBondContact O-CB 3.38Å; E632-T636 WeakPolarHBondContact O-CG2 3.32Å; E632-T636 PolarHBondContact O-N 3.02Å; E632-T636 PolarHBondContact O-OG1 3.44Å; T636-P638 WeakPolarHBondContact O-CD 3.39Å; T636-L683 HydrophobicContact CG2-CD2 4.4Å
637C90.2Very high93.4Very high11 Ų1121.3 Ų21.37%0.07410%0.103CC..  trans-68.6120177-175.50000110.4V635 Y639 L1088V635-C637 PolarHBondContact O-N 3.4Å; C637-Y639 PolarHBondContact O-N 2.55Å; C637-Y639 WeakPolarHBondContact SG-CE1 3.32Å; C637-L1088 HydrophobicContact CB-CD2 4.26Å
638P84.2Confident93.3Very high53 Ų5321.4 Ų21.434%0.34410%0.104SC..SBendtrans-74.2-25.3-171.325.1-30.6000113.7F494 K611 T636F494-P638 HydrophobicContact CD1-CB 4.33Å; F494-P638 HydrophobicContact CE1-CB 3.7Å; F494-P638 HydrophobicContact CZ-CB 4.39Å; K611-P638 WeakPolarHBondContact CE-O 3.42Å; T636-P638 WeakPolarHBondContact O-CD 3.39Å
639Y83.6Confident93.2Very high119 Ų11921.7 Ų21.747%0.46711%0.107SC..SBendtrans-104-9.9-172.257.2-90.2000114.7K611 E612 C637K611-Y639 WeakPolarHBondContact CA-O 3.26Å; E612-Y639 PolarHBondContact N-O 3.13Å; C637-Y639 PolarHBondContact O-N 2.55Å; C637-Y639 WeakPolarHBondContact SG-CE1 3.32Å
640V89.1Confident92.8Very high9 Ų925 Ų256%0.05513%0.127CC..EExtended strand (participates in β ladder)trans-118.6142.9178.3-176.10000110.3E612 I614 F642 L1088E612-V640 CarbonylContact O-C 3.54Å; E612-V640 WeakPolarHBondContact O-CA 3.28Å; I614-V640 HydrophobicContact CB-CG1 4.45Å; I614-V640 HydrophobicContact CG1-CG1 3.66Å; V640-F642 HydrophobicContact CB-CE2 4.35Å; V640-F642 HydrophobicContact CG1-CD2 4.04Å; V640-F642 HydrophobicContact CG1-CE1 4.3Å; V640-F642 HydrophobicContact CG1-CE2 3.63Å; V640-F642 HydrophobicContact CG1-CZ 3.77Å; V640-L1088 HydrophobicContact CG2-CD2 4.42Å
641R90.6Very high92.4Very high71 Ų7127.7 Ų27.727%0.26814%0.141SC..EExtended strand (participates in β ladder)trans-128116.7167.8-174.8-179.666.2117.13.1109.8K611 E612 I613 I614K611-R641 HydrophobicContact CD-CB 4.42Å; E612-R641 PolarHBondContact O-N 3.47Å; I613-R641 WeakPolarHBondContact CA-O 3.47Å; I613-R641 VanDerWaalsContact CD1-NH2 3.35Å; I614-R641 PolarHBondContact N-O 3.42Å
642F92.9Very high92Very high16 Ų1627.8 Ų27.87%0.0714%0.142CC..EExtended strand (participates in β ladder)trans-84.5133.9172-62.8-85.6000110.3I614 I618 L634 V640 L645 L1088 F1091I614-F642 HydrophobicContact CB-CD1 3.76Å; I614-F642 HydrophobicContact CB-CE1 3.94Å; I614-F642 HydrophobicContact CG1-CE1 4.28Å; I614-F642 HydrophobicContact CG2-CD1 3.78Å; I614-F642 HydrophobicContact CG2-CE1 3.8Å; I614-F642 WeakPolarHBondContact O-CA 3.4Å; I618-F642 HydrophobicContact CD1-CD1 3.76Å; I618-F642 HydrophobicContact CD1-CE1 3.58Å; I618-F642 HydrophobicContact CD1-CZ 4.45Å; L634-F642 HydrophobicContact CB-CD2 4.19Å; L634-F642 HydrophobicContact CB-CE2 3.92Å; L634-F642 HydrophobicContact CD2-CE2 3.8Å; L634-F642 HydrophobicContact CD2-CZ 3.84Å; L634-F642 HydrophobicContact CG-CE2 4.35Å; V640-F642 HydrophobicContact CB-CE2 4.35Å; V640-F642 HydrophobicContact CG1-CD2 4.04Å; V640-F642 HydrophobicContact CG1-CE1 4.3Å; V640-F642 HydrophobicContact CG1-CE2 3.63Å; V640-F642 HydrophobicContact CG1-CZ 3.77Å; F642-L645 HydrophobicContact CB-CD1 3.75Å; F642-L645 HydrophobicContact CB-CD2 3.64Å; F642-L645 HydrophobicContact CB-CG 3.4Å; F642-L645 HydrophobicContact CD1-CD2 4.04Å; F642-L645 HydrophobicContact CD2-CD1 4.11Å; F642-L645 HydrophobicContact CD2-CD2 4.26Å; F642-L645 HydrophobicContact CD2-CG 4.45Å; F642-L645 HydrophobicContact CG-CD1 4.13Å; F642-L645 HydrophobicContact CG-CD2 3.73Å; F642-L645 HydrophobicContact CG-CG 3.98Å; F642-L1088 HydrophobicContact CE2-CD2 4.07Å; F642-L1088 HydrophobicContact CZ-CD2 4.06Å; F642-F1091 AromaticContact CE1-CD2 3.79Å; F642-F1091 HydrophobicContact CE1-CD2 3.79Å; F642-F1091 AromaticContact CE1-CE2 3.83Å; F642-F1091 HydrophobicContact CE1-CE2 3.83Å; F642-F1091 HydrophobicContact CZ-CD2 4.08Å; F642-F1091 HydrophobicContact CZ-CE2 4.4Å
643T90.6Very high91.7Very high30 Ų3028.3 Ų28.318%0.18415%0.145CC..EExtended strand (participates in β ladder)trans-93.6-21.8177.857.10000113I613 I614 N615I613-T643 HydrophobicContact CG2-CG2 3.62Å; I614-T643 PolarHBondContact O-N 3.48Å; I614-T643 PolarHBondContact O-OG1 2.93Å; N615-T643 WeakPolarHBondContact CA-OG1 3.23Å; N615-T643 PolarHBondContact OD1-OG1 2.86Å
644N92.4Very high91.5Very high16 Ų1626.9 Ų26.99%0.08614%0.142CC..EExtended strand (participates in β ladder)trans-129.650.4-172.5-71-36.4000112.9E399 N615 R617 I618E399-N644 PolarHBondContact OE1-ND2 3.35Å; N615-N644 PolarHBondContact O-ND2 3.19Å; R617-N644 WeakPolarHBondContact CA-O 3.25Å; R617-N644 HydrophobicContact CB-CB 4.05Å; R617-N644 HydrophobicContact CG-CB 4.18Å; I618-N644 PolarHBondContact N-O 3.06Å; I618-N644 VanDerWaalsContact N-O 3.09Å
645L94.3Very high90.9Very high6 Ų627.1 Ų27.13%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-79.7124.5167.3-63.8-179000109.7I618 L634 V635 F642 N690I618-L645 HydrophobicContact CB-CD2 3.91Å; I618-L645 HydrophobicContact CD1-CD2 4.04Å; I618-L645 HydrophobicContact CG1-CD2 4.38Å; I618-L645 HydrophobicContact CG2-CD2 4.42Å; L634-L645 HydrophobicContact CB-CD1 4.23Å; L634-L645 HydrophobicContact CD1-CD2 4.07Å; V635-L645 HydrophobicContact CG2-CD1 3.93Å; F642-L645 HydrophobicContact CB-CD1 3.75Å; F642-L645 HydrophobicContact CB-CD2 3.64Å; F642-L645 HydrophobicContact CB-CG 3.4Å; F642-L645 HydrophobicContact CD1-CD2 4.04Å; F642-L645 HydrophobicContact CD2-CD1 4.11Å; F642-L645 HydrophobicContact CD2-CD2 4.26Å; F642-L645 HydrophobicContact CD2-CG 4.45Å; F642-L645 HydrophobicContact CG-CD1 4.13Å; F642-L645 HydrophobicContact CG-CD2 3.73Å; F642-L645 HydrophobicContact CG-CG 3.98Å; L645-N690 PolarHBondContact O-N 3.06Å
646V94.8Very high90.5Very high8 Ų827.8 Ų27.85%0.04815%0.148CC..EExtended strand (participates in β ladder)trans-124.2129-178.1-175.90000109.9R617 I618 I619 I620 N690 I692R617-V646 HydrophobicContact CG-CG2 4.23Å; I618-V646 PolarHBondContact O-N 3.46Å; I619-V646 CarbonylContact C-O 3.55Å; I619-V646 WeakPolarHBondContact CA-O 3.48Å; I619-V646 HydrophobicContact CG1-CB 4.16Å; I619-V646 HydrophobicContact CG2-CB 4.46Å; I619-V646 HydrophobicContact CG2-CG1 4.37Å; I620-V646 PolarHBondContact N-O 2.79Å; V646-N690 CarbonylContact C-O 3.6Å; V646-N690 VanDerWaalsContact CA-O 3.27Å; V646-N690 WeakPolarHBondContact CA-O 3.31Å; V646-N690 HydrophobicContact CG2-CB 4.43Å; V646-I692 HydrophobicContact CG1-CD1 3.53Å; V646-I692 HydrophobicContact CG1-CG1 3.76Å
647L96.3Very high90.3Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-104118.1168.417865.1000109.5I620 A623 L631 L653 V689 N690 V691 I692I620-L647 HydrophobicContact CB-CD1 4.42Å; I620-L647 HydrophobicContact CG2-CD1 4.17Å; I620-L647 WeakPolarHBondContact O-CA 3.34Å; A623-L647 HydrophobicContact CB-CD1 4.41Å; A623-L647 HydrophobicContact CB-CD2 4.12Å; L631-L647 HydrophobicContact CD1-CB 4.31Å; L631-L647 HydrophobicContact CD1-CD1 4.21Å; L631-L647 HydrophobicContact CD1-CD2 4.12Å; L631-L647 HydrophobicContact CD1-CG 4.45Å; L647-L653 HydrophobicContact CD2-CD2 3.37Å; L647-L653 HydrophobicContact CD2-CG 3.84Å; L647-V689 HydrophobicContact CB-CG1 3.79Å; L647-N690 PolarHBondContact N-O 3.37Å; L647-V691 WeakPolarHBondContact O-CA 3.3Å; L647-I692 PolarHBondContact O-N 2.79Å
648L95.6Very high90.1Very high3 Ų329.5 Ų29.52%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-94.4112.5169.9175.559.1000109.2I619 I620 V621 G622 I692 G694 L696 I706 I708I619-L648 HydrophobicContact CG2-CB 4.28Å; I620-L648 PolarHBondContact O-N 3.21Å; V621-L648 HydrophobicContact CG1-CD2 4.12Å; V621-L648 HydrophobicContact CG1-CG 4.42Å; V621-L648 HydrophobicContact CG2-CB 4.43Å; V621-L648 HydrophobicContact CG2-CD2 4.18Å; G622-L648 PolarHBondContact N-O 3.36Å; L648-I692 HydrophobicContact CD1-CB 4.3Å; L648-I692 HydrophobicContact CD1-CG2 4.18Å; L648-G694 WeakPolarHBondContact CD1-O 3.41Å; L648-L696 HydrophobicContact CD2-CB 4.04Å; L648-I706 HydrophobicContact CD2-CD1 3.89Å; L648-I708 HydrophobicContact CD1-CD1 3.97Å; L648-I708 HydrophobicContact CD1-CG1 4.11Å; L648-I708 HydrophobicContact CD1-CG2 3.78Å; L648-I708 HydrophobicContact CD2-CD1 4.33Å; L648-I708 HydrophobicContact CD2-CG1 4.02Å
649S94.3Very high90.2Very high12 Ų1234.7 Ų34.78%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-147.3144.8-178.2177.80000110.2A623 N651 G652 I692 H693 G694A623-S649 WeakPolarHBondContact CB-OG 3.47Å; S649-N651 VanDerWaalsContact C-N 3.33Å; S649-N651 PolarHBondContact O-N 2.81Å; S649-G652 VanDerWaalsContact CB-O 3.3Å; S649-G652 WeakPolarHBondContact CB-O 3.35Å; S649-G652 PolarHBondContact OG-N 3.38Å; S649-G652 PolarHBondContact OG-O 2.89Å; S649-I692 PolarHBondContact N-O 3.21Å; S649-I692 VanDerWaalsContact N-O 3.1Å; S649-H693 VanDerWaalsContact O-CA 3.3Å; S649-H693 WeakPolarHBondContact O-CA 3.4Å; S649-G694 CarbonylContact C-O 3.56Å; S649-G694 PolarHBondContact O-N 3.38Å; S649-G694 VanDerWaalsContact O-N 3.11Å
650T89.6Confident90.3Very high69 Ų6935.3 Ų35.342%0.42318%0.177SC..SBendtrans-65.8-39.5177.251.80000112.1G694 K695T650-G694 PolarHBondContact N-O 2.76Å; T650-K695 HydrophobicContact CG2-CD 4.27Å; T650-K695 HydrophobicContact CG2-CG 3.32Å
651N89Confident90.1Very high57 Ų5735.6 Ų35.631%0.30518%0.179SC..SBendtrans-103.66.9-174.4-56.3-21000112.1S649 D803 N805S649-N651 VanDerWaalsContact C-N 3.33Å; S649-N651 PolarHBondContact O-N 2.81Å; N651-D803 PolarHBondContact ND2-OD2 3.15Å; N651-N805 HydrophobicContact CB-CB 4.44Å; N651-N805 WeakPolarHBondContact CB-ND2 3.25Å; N651-N805 PolarHBondContact ND2-ND2 3.33Å
652G89.8Confident90Very high2 Ų235.4 Ų35.42%0.02118%0.183CC..  trans72.2-149.1-174.800000113.4S649 H693S649-G652 VanDerWaalsContact CB-O 3.3Å; S649-G652 WeakPolarHBondContact CB-O 3.35Å; S649-G652 PolarHBondContact OG-N 3.38Å; S649-G652 PolarHBondContact OG-O 2.89Å; G652-H693 VanDerWaalsContact CA-CE1 3.5Å; G652-H693 WeakPolarHBondContact CA-CE1 3.39Å
653L91.5Very high89.9Confident11 Ų1139.2 Ų39.26%0.05821%0.209CC..SBendtrans-77.9130174.8-81.3167.5000110.1L628 L647 G655 D656 F685 V691L628-L653 HydrophobicContact CD2-CD2 4.35Å; L647-L653 HydrophobicContact CD2-CD2 3.37Å; L647-L653 HydrophobicContact CD2-CG 3.84Å; L653-G655 PolarHBondContact O-N 3.34Å; L653-D656 HydrophobicContact CB-CB 3.95Å; L653-D656 WeakPolarHBondContact CB-OD2 3.45Å; L653-D656 VanDerWaalsContact CD1-OD2 3.28Å; L653-D656 WeakPolarHBondContact CD1-OD2 3.06Å; L653-D656 PolarHBondContact O-N 3.5Å; L653-F685 HydrophobicContact CD1-CB 3.78Å; L653-F685 HydrophobicContact CD2-CB 4.03Å; L653-F685 HydrophobicContact CD2-CD2 3.97Å; L653-F685 HydrophobicContact CD2-CG 4.39Å; L653-V691 HydrophobicContact CD1-CG2 3.53Å; L653-V691 HydrophobicContact CG-CG2 3.66Å
654P89.5Confident90Very high31 Ų3138.9 Ų38.920%0.20121%0.206CC..THydrogen-bonded Turntrans-61.4134.4175.7-22.834.8000111.1A623 L628 D656 L680A623-P654 HydrophobicContact CB-CG 4.13Å; L628-P654 HydrophobicContact CD1-CG 4.25Å; P654-D656 VanDerWaalsContact C-N 3.29Å; P654-D656 PolarHBondContact O-N 2.63Å; P654-L680 HydrophobicContact CB-CD1 3.88Å
655G83.7Confident90Very high7 Ų738.1 Ų38.17%0.07220%0.202CC..THydrogen-bonded Turntrans84.5-14.8-176.800000115.4Y545 L653 T657Y545-G655 WeakPolarHBondContact CD1-O 3.42Å; L653-G655 PolarHBondContact O-N 3.34Å; G655-T657 PolarHBondContact O-N 2.95Å; G655-T657 PolarHBondContact O-OG1 3.38Å
656D86.3Confident90Very high27 Ų2742.8 Ų42.814%0.14422%0.22CC..  trans-78.271.2175.1-86.6-2000111L313 L653 P654L313-D656 WeakPolarHBondContact CD2-O 3.44Å; L653-D656 HydrophobicContact CB-CB 3.95Å; L653-D656 WeakPolarHBondContact CB-OD2 3.45Å; L653-D656 VanDerWaalsContact CD1-OD2 3.28Å; L653-D656 WeakPolarHBondContact CD1-OD2 3.06Å; L653-D656 PolarHBondContact O-N 3.5Å; P654-D656 VanDerWaalsContact C-N 3.29Å; P654-D656 PolarHBondContact O-N 2.63Å
657T88Confident90Very high26 Ų2645.6 Ų45.616%0.1623%0.232CC..  trans-121.7155.3-178.547.20000109.8P544 Y545 G655 E659 I661P544-T657 CarbonylContact C-O 3.52Å; Y545-T657 WeakPolarHBondContact CA-O 3.33Å; Y545-T657 WeakPolarHBondContact CB-O 3.46Å; Y545-T657 PolarHBondContact N-O 2.66Å; Y545-T657 VanDerWaalsContact N-O 3.1Å; G655-T657 PolarHBondContact O-N 2.95Å; G655-T657 PolarHBondContact O-OG1 3.38Å; T657-E659 WeakPolarHBondContact CB-O 3.35Å; T657-E659 PolarHBondContact O-N 3.41Å; T657-E659 PolarHBondContact OG1-O 3.48Å; T657-I661 HydrophobicContact CG2-CG1 4.4Å
658L87.1Confident90Very high47 Ų4745.6 Ų45.625%0.24623%0.232CC..SBendtrans-75.1-16.9179.4-68.6173.9000113.2K310 L313 R314 Y317K310-L658 HydrophobicContact CG-CD2 3.94Å; L313-L658 HydrophobicContact CB-CD2 4.11Å; L313-L658 HydrophobicContact CD2-CD2 3.89Å; L313-L658 HydrophobicContact CD2-CG 4.09Å; L313-L658 HydrophobicContact CG-CD2 4.13Å; R314-L658 HydrophobicContact CG-CD1 3.73Å; R314-L658 HydrophobicContact CG-CD2 3.61Å; R314-L658 HydrophobicContact CG-CG 4.35Å; Y317-L658 HydrophobicContact CD2-CD1 4.44Å
659E86.3Confident89.9Confident161 Ų16147 Ų4775%0.75224%0.239SC*.SBendtrans-137.3148.8-178.7-65.6178.6-175.700108.2T657 I661T657-E659 WeakPolarHBondContact CB-O 3.35Å; T657-E659 PolarHBondContact O-N 3.41Å; T657-E659 PolarHBondContact OG1-O 3.48Å; E659-I661 PolarHBondContact O-N 3.17Å
660R85.1Confident90Very high132 Ų13248.3 Ų48.350%0.49825%0.248SC..PPolyproline II helixtrans-66.3132.2179.7-159.4174.7-165.9-172.75109.3Y545 N662 D678Y545-R660 HydrophobicContact CD2-CB 4.31Å; Y545-R660 HydrophobicContact CD2-CG 4.37Å; R660-N662 PolarHBondContact O-N 3.32Å; R660-D678 IonicContact NH2-OD1 3.59Å; R660-D678 PolarHBondContact NH2-OD1 3.42Å; R660-D678 IonicContact NH2-OD2 2.8Å
661I85Confident90.2Very high16 Ų1647.9 Ų47.98%0.08225%0.246CC..PPolyproline II helixtrans-57.9134.8178.1-61.6171.9000109.5T657 E659 P663 A665 Y666 I804 L808T657-I661 HydrophobicContact CG2-CG1 4.4Å; E659-I661 PolarHBondContact O-N 3.17Å; I661-P663 WeakPolarHBondContact O-CD 3.48Å; I661-A665 HydrophobicContact CG2-CB 3.99Å; I661-Y666 HydrophobicContact CB-CE2 4.29Å; I661-Y666 HydrophobicContact CG2-CE2 4.07Å; I661-I804 HydrophobicContact CD1-CG2 4.09Å; I661-I804 HydrophobicContact CG2-CD1 3.72Å; I661-I804 HydrophobicContact CG2-CG1 3.99Å; I661-L808 HydrophobicContact CG2-CD2 4.35Å
662N87.6Confident90.4Very high67 Ų6747.7 Ų47.736%0.35824%0.244SC..PPolyproline II helixtrans-52.9123.4177.1-175.9-21000110.3R660 L664 A665 L808R660-N662 PolarHBondContact O-N 3.32Å; N662-L664 PolarHBondContact O-N 3.12Å; N662-L664 WeakPolarHBondContact OD1-CB 3.35Å; N662-L664 PolarHBondContact OD1-N 3.25Å; N662-A665 VanDerWaalsContact O-CB 3.26Å; N662-A665 WeakPolarHBondContact O-CB 3.36Å; N662-A665 PolarHBondContact O-N 3.35Å; N662-L808 HydrophobicContact CB-CD2 4.49Å
663P90.4Very high90.6Very high96 Ų9650.5 Ų50.562%0.62326%0.255SS*.Hα-helixtrans-53.4-28.8177.8-28.535.9000114.3I661 A665 Y666I661-P663 WeakPolarHBondContact O-CD 3.48Å; P663-A665 PolarHBondContact O-N 3.04Å; P663-Y666 PolarHBondContact O-N 3.09Å
664L93.4Very high90.6Very high23 Ų2350.6 Ų50.612%0.1226%0.257CS..Hα-helixtrans-59.4-32.1174.7-179.259.5000112.3N662 Y666 K667 F668 I811 N928 A929N662-L664 PolarHBondContact O-N 3.12Å; N662-L664 WeakPolarHBondContact OD1-CB 3.35Å; N662-L664 PolarHBondContact OD1-N 3.25Å; L664-Y666 VanDerWaalsContact C-N 3.31Å; L664-Y666 PolarHBondContact O-N 3.34Å; L664-K667 HydrophobicContact CD1-CD 4.08Å; L664-K667 WeakPolarHBondContact O-CB 3.37Å; L664-K667 PolarHBondContact O-N 3.27Å; L664-F668 HydrophobicContact CD1-CE2 4.42Å; L664-F668 HydrophobicContact CG-CE2 4.22Å; L664-F668 WeakPolarHBondContact O-CD2 3.42Å; L664-I811 HydrophobicContact CB-CD1 4.15Å; L664-I811 HydrophobicContact CD2-CD1 4.05Å; L664-I811 HydrophobicContact CD2-CG1 4.15Å; L664-I811 HydrophobicContact CD2-CG2 4.15Å; L664-I811 HydrophobicContact CG-CD1 3.96Å; L664-I811 HydrophobicContact CG-CG1 4.44Å; L664-N928 HydrophobicContact CD1-CB 3.5Å; L664-A929 HydrophobicContact CD2-CB 3.94Å
665A93.5Very high90.8Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-63.8-35.8-17800000112.4I661 N662 P663 K667 F668 I804 V807 L808 I811I661-A665 HydrophobicContact CG2-CB 3.99Å; N662-A665 VanDerWaalsContact O-CB 3.26Å; N662-A665 WeakPolarHBondContact O-CB 3.36Å; N662-A665 PolarHBondContact O-N 3.35Å; P663-A665 PolarHBondContact O-N 3.04Å; A665-K667 PolarHBondContact O-N 2.9Å; A665-F668 PolarHBondContact O-N 2.97Å; A665-I804 HydrophobicContact CB-CD1 3.93Å; A665-I804 HydrophobicContact CB-CG1 3.58Å; A665-V807 HydrophobicContact CB-CB 4.22Å; A665-V807 HydrophobicContact CB-CG1 4.1Å; A665-L808 HydrophobicContact CB-CD2 4.24Å; A665-I811 HydrophobicContact CB-CD1 4.06Å
666Y92.5Very high91.2Very high103 Ų10352.6 Ų52.640%0.40427%0.266SS..Hα-helixtrans-66.8-20.4175.1-61.4-81.5000113I661 P663 L664 F668 V677 I804I661-Y666 HydrophobicContact CB-CE2 4.29Å; I661-Y666 HydrophobicContact CG2-CE2 4.07Å; P663-Y666 PolarHBondContact O-N 3.09Å; L664-Y666 VanDerWaalsContact C-N 3.31Å; L664-Y666 PolarHBondContact O-N 3.34Å; Y666-F668 PolarHBondContact O-N 2.89Å; Y666-V677 HydrophobicContact CE1-CG2 4.27Å; Y666-V677 WeakPolarHBondContact OH-CG2 3.31Å; Y666-I804 HydrophobicContact CD1-CD1 3.31Å; Y666-I804 HydrophobicContact CD2-CD1 3.91Å; Y666-I804 HydrophobicContact CE1-CD1 3.16Å; Y666-I804 HydrophobicContact CE2-CD1 3.79Å; Y666-I804 HydrophobicContact CG-CD1 3.68Å; Y666-I804 VanDerWaalsContact CZ-CD1 3.4Å
667K95.1Very high91.3Very high68 Ų6852.4 Ų52.430%0.29627%0.265SS..THydrogen-bonded Turntrans-74.9-14178.2-57.5-173177.8-179.40113L664 A665 T921 N928 L1121L664-K667 HydrophobicContact CD1-CD 4.08Å; L664-K667 WeakPolarHBondContact O-CB 3.37Å; L664-K667 PolarHBondContact O-N 3.27Å; A665-K667 PolarHBondContact O-N 2.9Å; K667-T921 CarbonylContact O-C 3.53Å; K667-N928 HydrophobicContact CD-CB 3.82Å; K667-N928 PolarHBondContact NZ-OD1 2.69Å; K667-L1121 HydrophobicContact CD-CD2 4.02Å; K667-L1121 HydrophobicContact CG-CD2 4.12Å
668F96.2Very high91.3Very high0 Ų053.7 Ų53.70%027%0.271CS..THydrogen-bonded Turntrans-84.1-15179.1-80.7-98.4000113.8L664 A665 Y666 I801 V807 I811 I814 T921 C922 G925 L926L664-F668 HydrophobicContact CD1-CE2 4.42Å; L664-F668 HydrophobicContact CG-CE2 4.22Å; L664-F668 WeakPolarHBondContact O-CD2 3.42Å; A665-F668 PolarHBondContact O-N 2.97Å; Y666-F668 PolarHBondContact O-N 2.89Å; F668-I801 HydrophobicContact CB-CD1 4.46Å; F668-I801 HydrophobicContact CD1-CD1 3.93Å; F668-V807 HydrophobicContact CB-CG1 3.93Å; F668-V807 HydrophobicContact CB-CG2 3.96Å; F668-V807 HydrophobicContact CD1-CG1 4.22Å; F668-V807 HydrophobicContact CD2-CG1 3.41Å; F668-V807 VanDerWaalsContact CD2-CG1 3.41Å; F668-V807 HydrophobicContact CE2-CG1 3.92Å; F668-V807 HydrophobicContact CG-CG1 3.58Å; F668-V807 HydrophobicContact CG-CG2 4.45Å; F668-I811 HydrophobicContact CE2-CD1 4.39Å; F668-I811 HydrophobicContact CE2-CG1 4.13Å; F668-I814 HydrophobicContact CZ-CD1 4.42Å; F668-T921 VanDerWaalsContact C-OG1 3.26Å; F668-T921 PolarHBondContact O-OG1 3.29Å; F668-C922 PolarHBondContact O-N 2.96Å; F668-G925 VanDerWaalsContact CE2-C 3.47Å; F668-G925 VanDerWaalsContact CE2-CA 3.43Å; F668-G925 WeakPolarHBondContact CZ-O 3.32Å; F668-L926 HydrophobicContact CE1-CD2 4.19Å; F668-L926 HydrophobicContact CE1-CG 4.15Å; F668-L926 HydrophobicContact CZ-CD2 4.47Å
669L94.6Very high91.6Very high31 Ų3152.8 Ų52.816%0.16227%0.265CS..SBendtrans-129.5153.4-172-71.3171.2000111.4I801 V807 T921L669-I801 HydrophobicContact CD1-CG2 3.99Å; L669-I801 HydrophobicContact CD2-CB 4.45Å; L669-I801 HydrophobicContact CD2-CG2 3.72Å; L669-I801 HydrophobicContact CG-CG2 3.96Å; L669-V807 HydrophobicContact CD1-CG2 4.46Å; L669-T921 WeakPolarHBondContact CA-OG1 3.37Å; L669-T921 PolarHBondContact N-OG1 3.12Å
670S95.2Very high91.9Very high41 Ų4145.9 Ų45.929%0.28723%0.233SC..  trans-72.1160.5165.761.40000111.8D918 G1119S670-D918 VanDerWaalsContact CB-OD1 3.27Å; S670-D918 WeakPolarHBondContact CB-OD1 3.33Å; S670-D918 PolarHBondContact N-OD1 3.09Å; S670-D918 PolarHBondContact OG-OD1 3.36Å; S670-G1119 CarbonylContact C-O 3.55Å; S670-G1119 WeakPolarHBondContact CA-O 3.29Å; S670-G1119 WeakPolarHBondContact CB-O 3.37Å
671T94.6Very high92.2Very high60 Ų6040.2 Ų40.237%0.36821%0.214SC..BIsolated β-bridgetrans-120.7146.3176.6-178.90000110.6Y673 V1118 G1119T671-Y673 HydrophobicContact CG2-CD1 4.41Å; T671-Y673 HydrophobicContact CG2-CD2 4.1Å; T671-Y673 HydrophobicContact CG2-CE1 4.14Å; T671-Y673 HydrophobicContact CG2-CE2 3.86Å; T671-Y673 HydrophobicContact CG2-CG 4.38Å; T671-Y673 PolarHBondContact OG1-N 3.17Å; T671-Y673 VanDerWaalsContact OG1-N 3.15Å; T671-V1118 CarbonylContact O-C 3.53Å; T671-G1119 PolarHBondContact N-O 2.88Å; T671-G1119 PolarHBondContact O-N 3.05Å
672D93.1Very high92.6Very high52 Ų5240.2 Ų40.228%0.27821%0.213SC..  trans-97.91.1171.662.54.9000112.6T625 A674T625-D672 WeakPolarHBondContact CB-OD2 3.46Å; T625-D672 WeakPolarHBondContact CG2-OD2 3.48Å; T625-D672 PolarHBondContact OG1-OD2 3.1Å; D672-A674 PolarHBondContact O-N 2.98Å; D672-A674 VanDerWaalsContact O-N 3.1Å; D672-A674 VanDerWaalsContact OD1-CB 3.31Å; D672-A674 WeakPolarHBondContact OD1-CB 3.25Å; D672-A674 PolarHBondContact OD1-N 3.25Å
673Y93.4Very high92.9Very high62 Ų6237.2 Ų37.224%0.24320%0.197CC..SBendtrans54.617.6-172.4-62.7-85.1000114.6T671 T1117 G1119 L1129 A1188 E1189 I1192T671-Y673 HydrophobicContact CG2-CD1 4.41Å; T671-Y673 HydrophobicContact CG2-CD2 4.1Å; T671-Y673 HydrophobicContact CG2-CE1 4.14Å; T671-Y673 HydrophobicContact CG2-CE2 3.86Å; T671-Y673 HydrophobicContact CG2-CG 4.38Å; T671-Y673 PolarHBondContact OG1-N 3.17Å; T671-Y673 VanDerWaalsContact OG1-N 3.15Å; Y673-T1117 HydrophobicContact CD2-CG2 3.85Å; Y673-T1117 HydrophobicContact CE2-CG2 4.48Å; Y673-G1119 VanDerWaalsContact CE2-CA 3.48Å; Y673-L1129 HydrophobicContact CD2-CD1 4.33Å; Y673-L1129 HydrophobicContact CE2-CD1 3.77Å; Y673-A1188 HydrophobicContact CE1-CB 3.86Å; Y673-A1188 HydrophobicContact CE2-CB 4.14Å; Y673-A1188 WeakPolarHBondContact OH-CB 3.39Å; Y673-E1189 HydrophobicContact CD1-CG 4.35Å; Y673-I1192 HydrophobicContact CD2-CD1 3.86Å; Y673-I1192 HydrophobicContact CG-CD1 3.96Å
674A92.9Very high92.9Very high12 Ų1233 Ų3310%0.09917%0.171CC..SBendtrans-81.9-48-177.400000112.1T625 D672 M1077T625-A674 HydrophobicContact CG2-CB 3.46Å; T625-A674 VanDerWaalsContact CG2-CB 3.46Å; D672-A674 PolarHBondContact O-N 2.98Å; D672-A674 VanDerWaalsContact O-N 3.1Å; D672-A674 VanDerWaalsContact OD1-CB 3.31Å; D672-A674 WeakPolarHBondContact OD1-CB 3.25Å; D672-A674 PolarHBondContact OD1-N 3.25Å; A674-M1077 HydrophobicContact CB-CB 4.24Å; A674-M1077 HydrophobicContact CB-SD 4.4Å
675Y93.8Very high92.9Very high24 Ų2432.3 Ų32.39%0.09417%0.167CC..  trans-133.971.2-173.9-68.4-70.8000113.6T625 L628 A629 E632 Y679 L680 L683 M1077T625-Y675 HydrophobicContact CG2-CD2 3.89Å; T625-Y675 HydrophobicContact CG2-CE2 3.86Å; T625-Y675 WeakPolarHBondContact O-CE2 3.31Å; L628-Y675 HydrophobicContact CB-CD1 4.48Å; L628-Y675 HydrophobicContact CB-CD2 3.9Å; L628-Y675 HydrophobicContact CB-CE1 4.38Å; L628-Y675 HydrophobicContact CB-CE2 3.79Å; L628-Y675 HydrophobicContact CB-CG 4.28Å; L628-Y675 HydrophobicContact CD1-CD2 4.04Å; L628-Y675 HydrophobicContact CD1-CG 4.11Å; A629-Y675 WeakPolarHBondContact CA-OH 3.48Å; A629-Y675 HydrophobicContact CB-CE2 4.22Å; A629-Y675 VanDerWaalsContact CB-OH 3.23Å; A629-Y675 WeakPolarHBondContact CB-OH 3.2Å; A629-Y675 PolarHBondContact N-OH 3.28Å; E632-Y675 WeakPolarHBondContact OE2-CE1 3.36Å; E632-Y675 VanDerWaalsContact OE2-CZ 3.31Å; E632-Y675 PolarHBondContact OE2-OH 2.99Å; Y675-Y679 AromaticContact CD1-CD1 3.89Å; Y675-Y679 HydrophobicContact CD1-CD1 3.89Å; Y675-Y679 HydrophobicContact CD1-CE1 4.05Å; Y675-Y679 HydrophobicContact CE1-CD1 4.25Å; Y675-Y679 AromaticContact CE1-CE1 3.92Å; Y675-Y679 HydrophobicContact CE1-CE1 3.92Å; Y675-L680 HydrophobicContact CD1-CD2 3.58Å; Y675-L680 HydrophobicContact CD1-CG 4.3Å; Y675-L680 HydrophobicContact CG-CD2 3.96Å; Y675-L680 HydrophobicContact CG-CG 4.49Å; Y675-L683 HydrophobicContact CD1-CD1 4.36Å; Y675-L683 HydrophobicContact CE1-CD1 4.15Å; Y675-M1077 HydrophobicContact CE2-CG 4.18Å
676P90.8Very high92.6Very high57 Ų5734 Ų3437%0.3717%0.174SC..  trans-56148.9166.3-21.332.6000111.3D678 Y679 L680P676-D678 VanDerWaalsContact C-N 3.26Å; P676-D678 PolarHBondContact O-N 3.18Å; P676-Y679 WeakPolarHBondContact O-CA 3.42Å; P676-Y679 WeakPolarHBondContact O-CB 3.28Å; P676-Y679 PolarHBondContact O-N 3.17Å; P676-L680 PolarHBondContact O-N 2.94Å
677V88.6Confident92.5Very high22 Ų2230.2 Ų30.213%0.13316%0.162CC..Hα-helixtrans-58.9-37.1-177.3166.60000113Y545 Y666 Y679 L680 S681Y545-V677 HydrophobicContact CE1-CG1 4.12Å; Y666-V677 HydrophobicContact CE1-CG2 4.27Å; Y666-V677 WeakPolarHBondContact OH-CG2 3.31Å; V677-Y679 VanDerWaalsContact C-N 3.34Å; V677-Y679 PolarHBondContact O-N 3.32Å; V677-L680 PolarHBondContact O-N 3.24Å; V677-S681 PolarHBondContact O-N 3.19Å; V677-S681 PolarHBondContact O-OG 2.9Å
678D88Confident92.2Very high53 Ų5329 Ų2928%0.28316%0.162SC..Hα-helixtrans-64-40.7175.8-63.2-11.6000110.6M596 R660 P676 S681 Q682M596-D678 HydrophobicContact CG-CB 4.43Å; R660-D678 IonicContact NH2-OD1 3.59Å; R660-D678 PolarHBondContact NH2-OD1 3.42Å; R660-D678 IonicContact NH2-OD2 2.8Å; P676-D678 VanDerWaalsContact C-N 3.26Å; P676-D678 PolarHBondContact O-N 3.18Å; D678-S681 PolarHBondContact O-N 2.83Å; D678-S681 PolarHBondContact O-OG 2.48Å; D678-Q682 WeakPolarHBondContact O-CG 3.24Å; D678-Q682 PolarHBondContact O-N 3.01Å
679Y93.2Very high92.1Very high29 Ų2929.4 Ų29.411%0.11416%0.164CC..Hα-helixtrans-64.2-43.9175-172.5-90.3000111.8P568 E632 Y675 P676 V677 S681 Q682 L683P568-Y679 HydrophobicContact CB-CD2 4.28Å; P568-Y679 HydrophobicContact CB-CE2 4.13Å; P568-Y679 HydrophobicContact CG-CD2 3.78Å; P568-Y679 HydrophobicContact CG-CE1 4.3Å; P568-Y679 HydrophobicContact CG-CE2 3.48Å; P568-Y679 VanDerWaalsContact CG-CE2 3.48Å; P568-Y679 HydrophobicContact CG-CG 4.33Å; E632-Y679 PolarHBondContact OE1-OH 3.26Å; Y675-Y679 AromaticContact CD1-CD1 3.89Å; Y675-Y679 HydrophobicContact CD1-CD1 3.89Å; Y675-Y679 HydrophobicContact CD1-CE1 4.05Å; Y675-Y679 HydrophobicContact CE1-CD1 4.25Å; Y675-Y679 AromaticContact CE1-CE1 3.92Å; Y675-Y679 HydrophobicContact CE1-CE1 3.92Å; P676-Y679 WeakPolarHBondContact O-CA 3.42Å; P676-Y679 WeakPolarHBondContact O-CB 3.28Å; P676-Y679 PolarHBondContact O-N 3.17Å; V677-Y679 VanDerWaalsContact C-N 3.34Å; V677-Y679 PolarHBondContact O-N 3.32Å; Y679-S681 VanDerWaalsContact C-N 3.32Å; Y679-S681 PolarHBondContact O-N 3.43Å; Y679-Q682 WeakPolarHBondContact O-CB 3.36Å; Y679-Q682 PolarHBondContact O-N 3.41Å; Y679-Q682 VanDerWaalsContact O-N 3.12Å; Y679-L683 HydrophobicContact CD1-CD1 4.04Å; Y679-L683 HydrophobicContact CD1-CG 4.35Å; Y679-L683 HydrophobicContact CE1-CD1 3.85Å; Y679-L683 HydrophobicContact CE1-CD2 4.15Å; Y679-L683 HydrophobicContact CE1-CG 4.16Å; Y679-L683 PolarHBondContact O-N 2.84Å
680L92.9Very high91.9Very high16 Ų1630.8 Ų30.88%0.08417%0.172CC..Hα-helixtrans-60.3-41177-74.1173.6000112.4L628 P654 Y675 P676 V677 Q682 L683 F685L628-L680 HydrophobicContact CD1-CD2 4.18Å; L628-L680 HydrophobicContact CD2-CD2 4.36Å; P654-L680 HydrophobicContact CB-CD1 3.88Å; Y675-L680 HydrophobicContact CD1-CD2 3.58Å; Y675-L680 HydrophobicContact CD1-CG 4.3Å; Y675-L680 HydrophobicContact CG-CD2 3.96Å; Y675-L680 HydrophobicContact CG-CG 4.49Å; P676-L680 PolarHBondContact O-N 2.94Å; V677-L680 PolarHBondContact O-N 3.24Å; L680-Q682 PolarHBondContact O-N 3.18Å; L680-L683 HydrophobicContact CD2-CD1 4.22Å; L680-L683 PolarHBondContact O-N 3.49Å; L680-L683 VanDerWaalsContact O-N 3.17Å; L680-F685 HydrophobicContact CD2-CD2 4.49Å; L680-F685 HydrophobicContact CD2-CE2 4.05Å
681S91.1Very high91.7Very high13 Ų1329.9 Ų29.99%0.09116%0.164CC..Hα-helixtrans-61.6-28.7177.168.20000113.2M596 A598 V677 D678 Y679M596-S681 PolarHBondContact O-OG 3.17Å; A598-S681 PolarHBondContact N-O 2.97Å; V677-S681 PolarHBondContact O-N 3.19Å; V677-S681 PolarHBondContact O-OG 2.9Å; D678-S681 PolarHBondContact O-N 2.83Å; D678-S681 PolarHBondContact O-OG 2.48Å; Y679-S681 VanDerWaalsContact C-N 3.32Å; Y679-S681 PolarHBondContact O-N 3.43Å
682Q94.1Very high91.5Very high16 Ų1627.5 Ų27.58%0.07515%0.149CC..Hα-helixtrans-80.6-17.5179-65.9178.3-73.300114.1Y489 P568 M596 A598 D678 Y679 L680Y489-Q682 HydrophobicContact CE1-CB 4.12Å; Y489-Q682 HydrophobicContact CE1-CG 4.26Å; Y489-Q682 PolarHBondContact OH-NE2 3.13Å; Y489-Q682 VanDerWaalsContact OH-NE2 3.13Å; P568-Q682 HydrophobicContact CB-CB 3.82Å; P568-Q682 HydrophobicContact CB-CG 4.47Å; P568-Q682 HydrophobicContact CG-CB 3.87Å; M596-Q682 HydrophobicContact CB-CG 3.58Å; A598-Q682 VanDerWaalsContact CA-O 3.31Å; A598-Q682 WeakPolarHBondContact CA-O 3.37Å; A598-Q682 WeakPolarHBondContact CB-O 3.4Å; D678-Q682 WeakPolarHBondContact O-CG 3.24Å; D678-Q682 PolarHBondContact O-N 3.01Å; Y679-Q682 WeakPolarHBondContact O-CB 3.36Å; Y679-Q682 PolarHBondContact O-N 3.41Å; Y679-Q682 VanDerWaalsContact O-N 3.12Å; L680-Q682 PolarHBondContact O-N 3.18Å
683L94Very high91.4Very high3 Ų329.5 Ų29.52%0.01616%0.157CC..Hα-helixtrans-77.3-21.9-179.7-68.9173.1000113.3P568 E632 T636 Y675 Y679 L680 F685P568-L683 HydrophobicContact CG-CD2 4.06Å; E632-L683 HydrophobicContact CB-CD1 4.5Å; E632-L683 HydrophobicContact CG-CD1 4.43Å; E632-L683 HydrophobicContact CG-CD2 3.98Å; T636-L683 HydrophobicContact CG2-CD2 4.4Å; Y675-L683 HydrophobicContact CD1-CD1 4.36Å; Y675-L683 HydrophobicContact CE1-CD1 4.15Å; Y679-L683 HydrophobicContact CD1-CD1 4.04Å; Y679-L683 HydrophobicContact CD1-CG 4.35Å; Y679-L683 HydrophobicContact CE1-CD1 3.85Å; Y679-L683 HydrophobicContact CE1-CD2 4.15Å; Y679-L683 HydrophobicContact CE1-CG 4.16Å; Y679-L683 PolarHBondContact O-N 2.84Å; L680-L683 HydrophobicContact CD2-CD1 4.22Å; L680-L683 PolarHBondContact O-N 3.49Å; L680-L683 VanDerWaalsContact O-N 3.17Å; L683-F685 VanDerWaalsContact C-N 3.33Å; L683-F685 HydrophobicContact CB-CD1 4.22Å; L683-F685 HydrophobicContact CB-CD2 4.39Å; L683-F685 HydrophobicContact CB-CE1 4.11Å; L683-F685 HydrophobicContact CB-CE2 4.29Å; L683-F685 HydrophobicContact CB-CG 4.37Å; L683-F685 HydrophobicContact CB-CZ 4.16Å; L683-F685 HydrophobicContact CD1-CD2 4.41Å; L683-F685 HydrophobicContact CD1-CE1 4.18Å; L683-F685 HydrophobicContact CD1-CE2 3.59Å; L683-F685 HydrophobicContact CD1-CZ 3.47Å; L683-F685 VanDerWaalsContact CD1-CZ 3.47Å; L683-F685 HydrophobicContact CG-CZ 4.38Å; L683-F685 PolarHBondContact O-N 2.93Å
684G90.9Very high91.3Very high7 Ų727 Ų277%0.07215%0.15CC..THydrogen-bonded Turntrans68.326.7177.100000114.5A598 K686 V687A598-G684 VanDerWaalsContact CB-CA 3.47Å; G684-K686 PolarHBondContact O-N 3.49Å; G684-K686 VanDerWaalsContact O-N 3.15Å; G684-V687 WeakPolarHBondContact O-CB 3.42Å; G684-V687 PolarHBondContact O-N 3.27Å
685F93.2Very high91.3Very high9 Ų929.1 Ų29.14%0.03916%0.157CC..Hα-helixtrans-52.3-37.9-178.4-72.1-32.3000113.6L628 L631 E632 V635 L653 L680 L683 V687 C688 V689L628-F685 HydrophobicContact CD2-CD2 4.46Å; L628-F685 HydrophobicContact CD2-CE2 4.05Å; L631-F685 HydrophobicContact CB-CD1 4.34Å; L631-F685 HydrophobicContact CB-CE1 3.74Å; L631-F685 HydrophobicContact CB-CE2 4.38Å; L631-F685 HydrophobicContact CB-CZ 3.75Å; E632-F685 HydrophobicContact CB-CE1 4.46Å; E632-F685 HydrophobicContact CB-CZ 4.03Å; V635-F685 HydrophobicContact CB-CD1 4.43Å; V635-F685 HydrophobicContact CB-CE1 4.32Å; V635-F685 HydrophobicContact CG2-CD1 4.15Å; V635-F685 HydrophobicContact CG2-CE1 4.28Å; L653-F685 HydrophobicContact CD1-CB 3.78Å; L653-F685 HydrophobicContact CD2-CB 4.03Å; L653-F685 HydrophobicContact CD2-CD2 3.97Å; L653-F685 HydrophobicContact CD2-CG 4.39Å; L680-F685 HydrophobicContact CD2-CD2 4.49Å; L680-F685 HydrophobicContact CD2-CE2 4.05Å; L683-F685 VanDerWaalsContact C-N 3.33Å; L683-F685 HydrophobicContact CB-CD1 4.22Å; L683-F685 HydrophobicContact CB-CD2 4.39Å; L683-F685 HydrophobicContact CB-CE1 4.11Å; L683-F685 HydrophobicContact CB-CE2 4.29Å; L683-F685 HydrophobicContact CB-CG 4.37Å; L683-F685 HydrophobicContact CB-CZ 4.16Å; L683-F685 HydrophobicContact CD1-CD2 4.41Å; L683-F685 HydrophobicContact CD1-CE1 4.18Å; L683-F685 HydrophobicContact CD1-CE2 3.59Å; L683-F685 HydrophobicContact CD1-CZ 3.47Å; L683-F685 VanDerWaalsContact CD1-CZ 3.47Å; L683-F685 HydrophobicContact CG-CZ 4.38Å; L683-F685 PolarHBondContact O-N 2.93Å; F685-V687 PolarHBondContact O-N 2.94Å; F685-C688 PolarHBondContact O-N 3.29Å; F685-V689 HydrophobicContact CB-CG2 4.24Å; F685-V689 HydrophobicContact CD1-CG2 4.32Å; F685-V689 WeakPolarHBondContact O-CB 3.35Å; F685-V689 PolarHBondContact O-N 2.79Å
686K87.5Confident91.4Very high35 Ų3528.1 Ų28.115%0.15215%0.153CC..Hα-helixtrans-53.7-29.4177.8-172.263.8176.1-173.40114.1D316 G684D316-K686 IonicContact OD2-NZ 2.9Å; D316-K686 PolarHBondContact OD2-NZ 3.48Å; G684-K686 PolarHBondContact O-N 3.49Å; G684-K686 VanDerWaalsContact O-N 3.15Å
687V89.3Confident91.5Very high25 Ų2526.5 Ų26.515%0.15214%0.142CC..Hα-helixtrans-79.6-32.9179.7178.40000112.1W308 V541 L560 F600 G684 F685W308-V687 HydrophobicContact CH2-CG2 4.25Å; V541-V687 HydrophobicContact CG1-CG2 4.21Å; V541-V687 HydrophobicContact CG2-CG2 4.39Å; L560-V687 HydrophobicContact CD1-CG1 4.43Å; L560-V687 HydrophobicContact CD2-CG1 3.45Å; L560-V687 VanDerWaalsContact CD2-CG1 3.45Å; L560-V687 HydrophobicContact CD2-CG2 4.26Å; L560-V687 HydrophobicContact CG-CG1 3.81Å; F600-V687 HydrophobicContact CE1-CG1 4.2Å; F600-V687 HydrophobicContact CE2-CG2 4.28Å; F600-V687 HydrophobicContact CZ-CB 3.89Å; F600-V687 HydrophobicContact CZ-CG1 3.96Å; F600-V687 HydrophobicContact CZ-CG2 3.95Å; G684-V687 WeakPolarHBondContact O-CB 3.42Å; G684-V687 PolarHBondContact O-N 3.27Å; F685-V687 PolarHBondContact O-N 2.94Å
688C89.9Confident91.9Very high42 Ų4227 Ų2728%0.28415%0.149SC..Hα-helixtrans-107.7-17.6-167.5-61.50000113.8V635 F685V635-C688 HydrophobicContact CG1-CB 3.88Å; V635-C688 HydrophobicContact CG2-CB 3.94Å; F685-C688 PolarHBondContact O-N 3.29Å
689V92.7Very high92.3Very high8 Ų825.1 Ų25.15%0.04814%0.139CC..  trans-123.2128-171-174.90000109.6L631 V635 L647 F685L631-V689 HydrophobicContact CD1-CG1 4.35Å; L631-V689 HydrophobicContact CD2-CG1 4.04Å; L631-V689 HydrophobicContact CD2-CG2 3.75Å; V635-V689 HydrophobicContact CG2-CG2 4.05Å; L647-V689 HydrophobicContact CB-CG1 3.79Å; F685-V689 HydrophobicContact CB-CG2 4.24Å; F685-V689 HydrophobicContact CD1-CG2 4.32Å; F685-V689 WeakPolarHBondContact O-CB 3.35Å; F685-V689 PolarHBondContact O-N 2.79Å
690N90.5Very high92.5Very high60 Ų6026.8 Ų26.832%0.32115%0.15SC..EExtended strand (participates in β ladder)trans-82.8127.8171-167.715.4000109.6L645 V646 L647L645-N690 PolarHBondContact O-N 3.06Å; V646-N690 CarbonylContact C-O 3.6Å; V646-N690 VanDerWaalsContact CA-O 3.27Å; V646-N690 WeakPolarHBondContact CA-O 3.31Å; V646-N690 HydrophobicContact CG2-CB 4.43Å; L647-N690 PolarHBondContact N-O 3.37Å
691V91.3Very high92.5Very high22 Ų2229.6 Ų29.613%0.13316%0.159CC..EExtended strand (participates in β ladder)trans-105.4125.7-175.7-1770000109.3L647 L653L647-V691 WeakPolarHBondContact O-CA 3.3Å; L653-V691 HydrophobicContact CD1-CG2 3.53Å; L653-V691 HydrophobicContact CG-CG2 3.66Å
692I91.4Very high92.7Very high10 Ų1037.4 Ų37.45%0.05119%0.191CC..EExtended strand (participates in β ladder)trans-112.4118.3175.9-55.8-175.6000108.5V646 L647 L648 S649 G694 I708 I714V646-I692 HydrophobicContact CG1-CD1 3.53Å; V646-I692 HydrophobicContact CG1-CG1 3.76Å; L647-I692 PolarHBondContact O-N 2.79Å; L648-I692 HydrophobicContact CD1-CB 4.3Å; L648-I692 HydrophobicContact CD1-CG2 4.18Å; S649-I692 PolarHBondContact N-O 3.21Å; S649-I692 VanDerWaalsContact N-O 3.1Å; I692-G694 PolarHBondContact O-N 2.85Å; I692-I708 HydrophobicContact CG2-CD1 3.84Å; I692-I714 HydrophobicContact CD1-CD1 3.23Å
693H90.4Very high92.7Very high94 Ų9442.7 Ų42.744%0.43521%0.214SC..EExtended strand (participates in β ladder)trans-78.7111.4177.6-71.2-92.5000110.3S649 G652S649-H693 VanDerWaalsContact O-CA 3.3Å; S649-H693 WeakPolarHBondContact O-CA 3.4Å; G652-H693 VanDerWaalsContact CA-CE1 3.5Å; G652-H693 WeakPolarHBondContact CA-CE1 3.39Å
694G91.7Very high92.8Very high9 Ų946.3 Ų46.39%0.09323%0.23CC..SBendtrans165.1178.4176.100000114.3L648 S649 T650 I692 S709L648-G694 WeakPolarHBondContact CD1-O 3.41Å; S649-G694 CarbonylContact C-O 3.56Å; S649-G694 PolarHBondContact O-N 3.38Å; S649-G694 VanDerWaalsContact O-N 3.11Å; T650-G694 PolarHBondContact N-O 2.76Å; I692-G694 PolarHBondContact O-N 2.85Å; G694-S709 WeakPolarHBondContact CA-OG 3.33Å
695K91.8Very high93Very high57 Ų5750.2 Ų50.225%0.24824%0.242CC..  trans-106.5143177.3-73.9-164.6170.9-155.70111.5T650 T697 I708 S709 D1020 D1022T650-K695 HydrophobicContact CG2-CD 4.27Å; T650-K695 HydrophobicContact CG2-CG 3.32Å; K695-T697 HydrophobicContact CB-CG2 4.43Å; K695-T697 PolarHBondContact O-N 3.24Å; K695-I708 CarbonylContact O-C 3.59Å; K695-I708 VanDerWaalsContact O-CA 3.24Å; K695-I708 WeakPolarHBondContact O-CA 3.07Å; K695-S709 PolarHBondContact N-OG 2.86Å; K695-S709 PolarHBondContact O-N 3.31Å; K695-D1020 IonicContact NZ-OD2 2.78Å; K695-D1020 PolarHBondContact NZ-OD2 3.15Å; K695-D1022 VanDerWaalsContact CD-OD2 3.23Å; K695-D1022 WeakPolarHBondContact CD-OD2 3.4Å; K695-D1022 IonicContact NZ-OD2 3.07Å; K695-D1022 PolarHBondContact NZ-OD2 3.36Å
696L95.5Very high93.2Very high3 Ų349.8 Ų49.82%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-70.6120.5167.5178.765.8000109.6V621 L648 I699 I706 A1026V621-L696 HydrophobicContact CG1-CB 3.89Å; V621-L696 HydrophobicContact CG1-CD2 4.06Å; V621-L696 HydrophobicContact CG2-CD2 4.37Å; L648-L696 HydrophobicContact CD2-CB 4.04Å; L696-I699 HydrophobicContact CD1-CG1 4.05Å; L696-I699 HydrophobicContact CD2-CD1 4.1Å; L696-I699 HydrophobicContact CD2-CG1 4.18Å; L696-I699 HydrophobicContact CG-CG1 4.44Å; L696-I706 HydrophobicContact CD1-CB 3.66Å; L696-I706 HydrophobicContact CD1-CD1 4.34Å; L696-I706 HydrophobicContact CD1-CG2 3.73Å; L696-A1026 HydrophobicContact CG-CB 4.3Å
697T94.3Very high93.6Very high23 Ų2349.2 Ų49.214%0.14124%0.24CC..EExtended strand (participates in β ladder)trans-120.7-23-175.554.70000114.1K695 T707 S710K695-T697 HydrophobicContact CB-CG2 4.43Å; K695-T697 PolarHBondContact O-N 3.24Å; T697-T707 PolarHBondContact N-O 3.16Å; T697-T707 PolarHBondContact OG1-O 2.91Å; T697-S710 PolarHBondContact OG1-N 3.15Å
698A96.2Very high93.8Very high34 Ų3448.2 Ų48.228%0.28123%0.234SC..EExtended strand (participates in β ladder)trans-153.9153171.300000111.2I706 T707A698-I706 CarbonylContact O-C 3.55Å; A698-I706 WeakPolarHBondContact O-CA 3.18Å; A698-T707 PolarHBondContact N-O 2.98Å; A698-T707 PolarHBondContact O-N 3.12Å
699I97.2Very high93.8Very high13 Ų1349 Ų497%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-124.2124.9173.3-58.2161.8000108.4L696 R701 I706 Y716 L719 I721 A1026 L1027 S1030 I1032 I1051L696-I699 HydrophobicContact CD1-CG1 4.05Å; L696-I699 HydrophobicContact CD2-CD1 4.1Å; L696-I699 HydrophobicContact CD2-CG1 4.18Å; L696-I699 HydrophobicContact CG-CG1 4.44Å; I699-R701 HydrophobicContact CG2-CG 4.11Å; I699-I706 HydrophobicContact CG1-CG2 4.25Å; I699-Y716 HydrophobicContact CG2-CE1 4.48Å; I699-L719 HydrophobicContact CD1-CD2 4.19Å; I699-L719 HydrophobicContact CG1-CD2 4.24Å; I699-L719 HydrophobicContact CG2-CD2 4.29Å; I699-I721 HydrophobicContact CD1-CD1 4.42Å; I699-A1026 HydrophobicContact CG1-CB 4.49Å; I699-L1027 HydrophobicContact CD1-CD2 3.8Å; I699-S1030 WeakPolarHBondContact O-CB 3.47Å; I699-I1032 HydrophobicContact CD1-CD1 3.77Å; I699-I1051 HydrophobicContact CG2-CD1 4.12Å
700D96.1Very high93.4Very high64 Ų6453.1 Ų53.134%0.34227%0.269SS..EExtended strand (participates in β ladder)trans-104.697.3170.6-175.9-19.5000108.9K702 F703 K704 R705D700-K702 VanDerWaalsContact C-N 3.32Å; D700-K702 PolarHBondContact O-N 2.76Å; D700-K702 PolarHBondContact OD1-N 2.96Å; D700-K702 VanDerWaalsContact OD1-N 3.1Å; D700-F703 PolarHBondContact OD1-N 3.24Å; D700-F703 VanDerWaalsContact OD1-N 3.08Å; D700-F703 VanDerWaalsContact OD2-CD2 3.29Å; D700-F703 WeakPolarHBondContact OD2-CD2 3.41Å; D700-K704 CarbonylContact O-C 3.53Å; D700-K704 WeakPolarHBondContact O-CA 3.33Å; D700-K704 PolarHBondContact O-N 2.69Å; D700-R705 HydrophobicContact CB-CB 4.35Å; D700-R705 PolarHBondContact N-O 3.34Å; D700-R705 PolarHBondContact O-N 3.35Å
701R94.3Very high93.2Very high74 Ų7458.6 Ų58.628%0.27929%0.293SS..THydrogen-bonded Turntrans-67.6-31.7-179.2-63.8-167.7-65.7169.8-1.1113I699 K704 S1030 C1031 N1047 D1048 I1051I699-R701 HydrophobicContact CG2-CG 4.11Å; R701-K704 PolarHBondContact O-N 3.13Å; R701-S1030 PolarHBondContact NE-O 3.15Å; R701-S1030 PolarHBondContact NH2-O 2.98Å; R701-C1031 PolarHBondContact NH1-O 3.4Å; R701-C1031 PolarHBondContact NH2-O 2.88Å; R701-N1047 PolarHBondContact NH1-ND2 3.29Å; R701-N1047 VanDerWaalsContact NH1-ND2 3.1Å; R701-D1048 WeakPolarHBondContact CD-OD2 3.39Å; R701-I1051 HydrophobicContact CG-CD1 4.07Å
702K93.8Very high93.1Very high178 Ų17859.7 Ų59.777%0.77430%0.296SS*.THydrogen-bonded Turntrans-68.4-43.9-175.7-178.1179.4177.8-178.90110.9D700D700-K702 VanDerWaalsContact C-N 3.32Å; D700-K702 PolarHBondContact O-N 2.76Å; D700-K702 PolarHBondContact OD1-N 2.96Å; D700-K702 VanDerWaalsContact OD1-N 3.1Å
703F94.2Very high93.2Very high126 Ų12665.7 Ų65.755%0.55332%0.322SS*.THydrogen-bonded Turntrans-97.23.6177.7-65-77.9000113.2D700 R705D700-F703 PolarHBondContact OD1-N 3.24Å; D700-F703 VanDerWaalsContact OD1-N 3.08Å; D700-F703 VanDerWaalsContact OD2-CD2 3.29Å; D700-F703 WeakPolarHBondContact OD2-CD2 3.41Å; F703-R705 HydrophobicContact CB-CG 4.44Å; F703-R705 PolarHBondContact O-N 3.34Å
704K96.4Very high93.4Very high79 Ų7961.5 Ų61.534%0.34330%0.303SS..THydrogen-bonded Turntrans46.856.7-174.3-62.8-173.2171-169.20112.2D700 R701 S715 Y716 S1050D700-K704 CarbonylContact O-C 3.53Å; D700-K704 WeakPolarHBondContact O-CA 3.33Å; D700-K704 PolarHBondContact O-N 2.69Å; R701-K704 PolarHBondContact O-N 3.13Å; K704-S715 CarbonylContact O-C 3.59Å; K704-S715 VanDerWaalsContact O-CA 3.23Å; K704-S715 WeakPolarHBondContact O-CA 3.35Å; K704-Y716 VanDerWaalsContact C-CD1 3.49Å; K704-Y716 HydrophobicContact CB-CD2 4.26Å; K704-Y716 HydrophobicContact CB-CE1 4.29Å; K704-Y716 HydrophobicContact CB-CE2 3.98Å; K704-Y716 WeakPolarHBondContact CB-O 3.38Å; K704-Y716 HydrophobicContact CG-CE2 4.27Å; K704-Y716 VanDerWaalsContact O-CD1 3.28Å; K704-Y716 WeakPolarHBondContact O-CD1 2.84Å; K704-Y716 PolarHBondContact O-N 2.89Å; K704-S1050 WeakPolarHBondContact CE-OG 3.49Å
705R95.9Very high93.5Very high89 Ų8961.5 Ų61.534%0.33630%0.301SS..EExtended strand (participates in β ladder)trans-126.3146.7179.8-72.8172.7-177.4-170.6-0.5111.1E397 D700 F703 I714E397-R705 IonicContact OE1-NH2 3.32Å; D700-R705 HydrophobicContact CB-CB 4.35Å; D700-R705 PolarHBondContact N-O 3.34Å; D700-R705 PolarHBondContact O-N 3.35Å; F703-R705 HydrophobicContact CB-CG 4.44Å; F703-R705 PolarHBondContact O-N 3.34Å; R705-I714 CarbonylContact C-O 3.56Å; R705-I714 VanDerWaalsContact CA-O 3.31Å; R705-I714 WeakPolarHBondContact CA-O 3.27Å
706I96.5Very high93.7Very high1 Ų158.9 Ų58.91%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-111149.716958.5170.3000110.1I619 L648 L696 A698 I699 I708 K713 I714 Y716 L719I619-I706 HydrophobicContact CD1-CD1 3.89Å; I619-I706 HydrophobicContact CD1-CG1 4.32Å; I619-I706 HydrophobicContact CG2-CD1 3.94Å; L648-I706 HydrophobicContact CD2-CD1 3.89Å; L696-I706 HydrophobicContact CD1-CB 3.66Å; L696-I706 HydrophobicContact CD1-CD1 4.34Å; L696-I706 HydrophobicContact CD1-CG2 3.73Å; A698-I706 CarbonylContact O-C 3.55Å; A698-I706 WeakPolarHBondContact O-CA 3.18Å; I699-I706 HydrophobicContact CG1-CG2 4.25Å; I706-I708 HydrophobicContact CD1-CD1 4.26Å; I706-I708 HydrophobicContact CD1-CG1 4.2Å; I706-I708 HydrophobicContact CG1-CG1 4.4Å; I706-K713 VanDerWaalsContact O-CA 3.32Å; I706-K713 WeakPolarHBondContact O-CA 3.23Å; I706-I714 HydrophobicContact CG1-CB 4.37Å; I706-I714 WeakPolarHBondContact CG1-O 3.44Å; I706-I714 PolarHBondContact N-O 3.26Å; I706-I714 PolarHBondContact O-N 3.07Å; I706-Y716 HydrophobicContact CG2-CD1 3.83Å; I706-Y716 HydrophobicContact CG2-CE1 3.81Å; I706-L719 HydrophobicContact CD1-CD1 4.42Å; I706-L719 HydrophobicContact CG2-CD1 3.92Å; I706-L719 HydrophobicContact CG2-CD2 3.75Å; I706-L719 HydrophobicContact CG2-CG 4.49Å
707T95.8Very high93.8Very high23 Ų2359.5 Ų59.514%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-106.6126.3170.4-52.70000109.2T697 A698 Q712 K713T697-T707 PolarHBondContact N-O 3.16Å; T697-T707 PolarHBondContact OG1-O 2.91Å; A698-T707 PolarHBondContact N-O 2.98Å; A698-T707 PolarHBondContact O-N 3.12Å; T707-Q712 CarbonylContact C-O 3.59Å; T707-Q712 WeakPolarHBondContact CA-O 3.2Å; T707-K713 HydrophobicContact CG2-CG 4.43Å
708I93.5Very high93.9Very high3 Ų360.6 Ų60.62%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-107.5126.9-175.7-57.3170000108.4L648 I692 K695 I706 S710 E711 Q712 I714L648-I708 HydrophobicContact CD1-CD1 3.97Å; L648-I708 HydrophobicContact CD1-CG1 4.11Å; L648-I708 HydrophobicContact CD1-CG2 3.78Å; L648-I708 HydrophobicContact CD2-CD1 4.33Å; L648-I708 HydrophobicContact CD2-CG1 4.02Å; I692-I708 HydrophobicContact CG2-CD1 3.84Å; K695-I708 CarbonylContact O-C 3.59Å; K695-I708 VanDerWaalsContact O-CA 3.24Å; K695-I708 WeakPolarHBondContact O-CA 3.07Å; I706-I708 HydrophobicContact CD1-CD1 4.26Å; I706-I708 HydrophobicContact CD1-CG1 4.2Å; I706-I708 HydrophobicContact CG1-CG1 4.4Å; I708-S710 PolarHBondContact O-N 2.98Å; I708-E711 PolarHBondContact O-N 3.38Å; I708-Q712 HydrophobicContact CB-CB 4.34Å; I708-Q712 PolarHBondContact N-O 3.03Å; I708-Q712 PolarHBondContact O-N 3.16Å; I708-Q712 VanDerWaalsContact O-N 3.12Å; I708-I714 HydrophobicContact CD1-CD1 3.46Å; I708-I714 VanDerWaalsContact CD1-CD1 3.46Å; I708-I714 HydrophobicContact CD1-CG1 3.98Å
709S89.9Confident94Very high58 Ų5859 Ų5941%0.40628%0.282SS..THydrogen-bonded Turntrans48.435.6179.6-54.40000113.5G694 K695 E711G694-S709 WeakPolarHBondContact CA-OG 3.33Å; K695-S709 PolarHBondContact N-OG 2.86Å; K695-S709 PolarHBondContact O-N 3.31Å; S709-E711 PolarHBondContact O-N 2.58Å; S709-E711 VanDerWaalsContact O-N 3.13Å
710S85.3Confident94Very high96 Ų9658.4 Ų58.467%0.67128%0.279SS*.THydrogen-bonded Turntrans62.38.8-178.6-550000117.1T697 I708T697-S710 PolarHBondContact OG1-N 3.15Å; I708-S710 PolarHBondContact O-N 2.98Å
711E86.1Confident94.1Very high174 Ų17455.3 Ų55.381%0.81326%0.262SS*.THydrogen-bonded Turntrans-125.4-60-175.3-66.7-179.8179.900111.8I708 S709I708-E711 PolarHBondContact O-N 3.38Å; S709-E711 PolarHBondContact O-N 2.58Å; S709-E711 VanDerWaalsContact O-N 3.13Å
712Q89.5Confident94.3Very high46 Ų4651.8 Ų51.822%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-84.9132.2-169.1-178.1-178.84.200111.3N393 T707 I708 I714N393-Q712 VanDerWaalsContact CG-NE2 3.31Å; N393-Q712 PolarHBondContact OD1-NE2 3.38Å; N393-Q712 PolarHBondContact OD1-OE1 2.69Å; T707-Q712 CarbonylContact C-O 3.59Å; T707-Q712 WeakPolarHBondContact CA-O 3.2Å; I708-Q712 HydrophobicContact CB-CB 4.34Å; I708-Q712 PolarHBondContact N-O 3.03Å; I708-Q712 PolarHBondContact O-N 3.16Å; I708-Q712 VanDerWaalsContact O-N 3.12Å; Q712-I714 HydrophobicContact CG-CD1 4.41Å; Q712-I714 HydrophobicContact CG-CG1 4.18Å
713K92.7Very high94.3Very high136 Ų13644 Ų4459%0.59122%0.216SC*.EExtended strand (participates in β ladder)trans-110.1136176.2-64.6-176.6-178.8-178.50111.1I706 T707I706-K713 VanDerWaalsContact O-CA 3.32Å; I706-K713 WeakPolarHBondContact O-CA 3.23Å; T707-K713 HydrophobicContact CG2-CG 4.43Å
714I93.9Very high94.1Very high6 Ų639.1 Ų39.13%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-138.8129.4179.8-55.8-174.5000109.7I619 I692 R705 I706 I708 Q712I619-I714 HydrophobicContact CD1-CG2 3.89Å; I692-I714 HydrophobicContact CD1-CD1 3.23Å; R705-I714 CarbonylContact C-O 3.56Å; R705-I714 VanDerWaalsContact CA-O 3.31Å; R705-I714 WeakPolarHBondContact CA-O 3.27Å; I706-I714 HydrophobicContact CG1-CB 4.37Å; I706-I714 WeakPolarHBondContact CG1-O 3.44Å; I706-I714 PolarHBondContact N-O 3.26Å; I706-I714 PolarHBondContact O-N 3.07Å; I708-I714 HydrophobicContact CD1-CD1 3.46Å; I708-I714 VanDerWaalsContact CD1-CD1 3.46Å; I708-I714 HydrophobicContact CD1-CG1 3.98Å; Q712-I714 HydrophobicContact CG-CD1 4.41Å; Q712-I714 HydrophobicContact CG-CG1 4.18Å
715S95.7Very high93.9Very high9 Ų936.3 Ų36.36%0.06319%0.19CC..EExtended strand (participates in β ladder)trans-75.2148.9172.370.50000112.3R374 D395 R617 K704R374-S715 PolarHBondContact NH1-OG 2.98Å; R374-S715 PolarHBondContact NH2-OG 2.66Å; D395-S715 VanDerWaalsContact CG-N 3.33Å; D395-S715 WeakPolarHBondContact OD1-CB 3.22Å; D395-S715 PolarHBondContact OD1-N 3.43Å; D395-S715 PolarHBondContact OD1-OG 3.3Å; D395-S715 PolarHBondContact OD2-N 3.36Å; D395-S715 PolarHBondContact OD2-OG 2.96Å; R617-S715 WeakPolarHBondContact CD-O 3.42Å; R617-S715 PolarHBondContact NH1-O 2.97Å; R617-S715 PolarHBondContact NH1-OG 3.23Å; K704-S715 CarbonylContact O-C 3.59Å; K704-S715 VanDerWaalsContact O-CA 3.23Å; K704-S715 WeakPolarHBondContact O-CA 3.35Å
716Y96Very high93.7Very high1 Ų134.9 Ų34.90%0.00419%0.188CC..  trans-128.8152.7175.662.2-93.8000110.6I699 K704 I706 L719 I1051I699-Y716 HydrophobicContact CG2-CE1 4.48Å; K704-Y716 VanDerWaalsContact C-CD1 3.49Å; K704-Y716 HydrophobicContact CB-CD2 4.26Å; K704-Y716 HydrophobicContact CB-CE1 4.29Å; K704-Y716 HydrophobicContact CB-CE2 3.98Å; K704-Y716 WeakPolarHBondContact CB-O 3.38Å; K704-Y716 HydrophobicContact CG-CE2 4.27Å; K704-Y716 VanDerWaalsContact O-CD1 3.28Å; K704-Y716 WeakPolarHBondContact O-CD1 2.84Å; K704-Y716 PolarHBondContact O-N 2.89Å; I706-Y716 HydrophobicContact CG2-CD1 3.83Å; I706-Y716 HydrophobicContact CG2-CE1 3.81Å; Y716-L719 HydrophobicContact CD1-CB 4.28Å; Y716-L719 HydrophobicContact CD2-CB 3.62Å; Y716-L719 HydrophobicContact CE1-CB 4.35Å; Y716-L719 HydrophobicContact CE1-CD2 4.1Å; Y716-L719 HydrophobicContact CE2-CB 3.71Å; Y716-L719 HydrophobicContact CG-CB 3.92Å; Y716-I1051 HydrophobicContact CE2-CG1 4.16Å; Y716-I1051 WeakPolarHBondContact OH-CD1 3.44Å
717D95.8Very high93.4Very high17 Ų1735.1 Ų35.19%0.09119%0.188CC..SBendtrans-93.8-41.6165.2-61.1-42.7000109.9R374 L375 A616 R617R374-D717 WeakPolarHBondContact CB-OD2 3.47Å; R374-D717 IonicContact CZ-OD1 3.53Å; R374-D717 IonicContact CZ-OD2 3.38Å; R374-D717 IonicContact NE-OD1 2.68Å; R374-D717 PolarHBondContact NE-OD1 3.34Å; R374-D717 IonicContact NE-OD2 3.1Å; R374-D717 PolarHBondContact NE-OD2 3.18Å; R374-D717 IonicContact NH2-OD1 3.6Å; R374-D717 PolarHBondContact NH2-OD1 2.84Å; R374-D717 IonicContact NH2-OD2 2.75Å; L375-D717 HydrophobicContact CD2-CB 4.02Å; A616-D717 WeakPolarHBondContact CA-OD2 3.46Å; A616-D717 HydrophobicContact CB-CB 4.37Å; R617-D717 PolarHBondContact N-OD2 3.42Å; R617-D717 PolarHBondContact O-N 3.49Å
718Y96.8Very high92.9Very high46 Ų4635.1 Ų35.118%0.1819%0.187CC..EExtended strand (participates in β ladder)trans-130.7130.5172-61-82.9000110.2L375 A616 R617 I618 I619 S1050 F1052 L1090 F1091L375-Y718 HydrophobicContact CD2-CE2 4.46Å; A616-Y718 HydrophobicContact CB-CD2 4.3Å; A616-Y718 HydrophobicContact CB-CE2 4.25Å; R617-Y718 PolarHBondContact O-N 2.75Å; R617-Y718 VanDerWaalsContact O-N 3.16Å; I618-Y718 WeakPolarHBondContact CA-O 3.34Å; I618-Y718 HydrophobicContact CG1-CD2 4.34Å; I619-Y718 PolarHBondContact N-O 3.43Å; Y718-S1050 WeakPolarHBondContact CA-O 3.47Å; Y718-F1052 HydrophobicContact CD1-CD2 4.46Å; Y718-F1052 AromaticContact CD1-CE2 3.88Å; Y718-F1052 HydrophobicContact CD1-CE2 3.88Å; Y718-F1052 HydrophobicContact CE1-CE2 4.34Å; Y718-L1090 HydrophobicContact CD1-CD1 4.33Å; Y718-L1090 HydrophobicContact CE1-CD1 3.8Å; Y718-F1091 AromaticContact CD2-CZ 3.92Å; Y718-F1091 HydrophobicContact CD2-CZ 3.92Å; Y718-F1091 AromaticContact CE2-CE1 3.88Å; Y718-F1091 HydrophobicContact CE2-CE1 3.88Å; Y718-F1091 AromaticContact CE2-CZ 3.51Å; Y718-F1091 HydrophobicContact CE2-CZ 3.51Å
719L98.1Very high92.3Very high0 Ų035.3 Ų35.30%019%0.188CC..EExtended strand (participates in β ladder)trans-111.8126.1175.4-179.166.9000108.8I619 V621 I699 I706 Y716 I721 S1050 I1051 F1052I619-L719 HydrophobicContact CB-CD1 4.06Å; I619-L719 HydrophobicContact CG2-CD1 4.19Å; V621-L719 HydrophobicContact CG2-CD1 3.61Å; I699-L719 HydrophobicContact CD1-CD2 4.19Å; I699-L719 HydrophobicContact CG1-CD2 4.24Å; I699-L719 HydrophobicContact CG2-CD2 4.29Å; I706-L719 HydrophobicContact CD1-CD1 4.42Å; I706-L719 HydrophobicContact CG2-CD1 3.92Å; I706-L719 HydrophobicContact CG2-CD2 3.75Å; I706-L719 HydrophobicContact CG2-CG 4.49Å; Y716-L719 HydrophobicContact CD1-CB 4.28Å; Y716-L719 HydrophobicContact CD2-CB 3.62Å; Y716-L719 HydrophobicContact CE1-CB 4.35Å; Y716-L719 HydrophobicContact CE1-CD2 4.1Å; Y716-L719 HydrophobicContact CE2-CB 3.71Å; Y716-L719 HydrophobicContact CG-CB 3.92Å; L719-I721 HydrophobicContact CD2-CD1 4.48Å; L719-I721 HydrophobicContact CG-CG1 4.37Å; L719-S1050 PolarHBondContact N-O 3.07Å; L719-I1051 HydrophobicContact CB-CG1 4.26Å; L719-I1051 HydrophobicContact CB-CG2 4.42Å; L719-I1051 HydrophobicContact CD2-CD1 4.34Å; L719-I1051 HydrophobicContact CD2-CG1 4.41Å; L719-I1051 HydrophobicContact CD2-CG2 4.27Å; L719-I1051 HydrophobicContact CG-CG2 4.46Å; L719-I1051 CarbonylContact O-C 3.49Å; L719-I1051 VanDerWaalsContact O-CA 3.32Å; L719-I1051 WeakPolarHBondContact O-CA 3.31Å; L719-F1052 PolarHBondContact O-N 2.83Å
720I98.2Very high91.7Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-117.4113.6-178.6-64.6157.7000108.1I618 I619 I620 V621 V630 T722 F1052 L1083 L1087I618-I720 HydrophobicContact CG2-CD1 3.3Å; I618-I720 HydrophobicContact CG2-CG1 4.38Å; I619-I720 PolarHBondContact O-N 3.38Å; I620-I720 CarbonylContact C-O 3.52Å; I620-I720 WeakPolarHBondContact CA-O 3.32Å; I620-I720 HydrophobicContact CD1-CD1 4.35Å; I620-I720 HydrophobicContact CG1-CB 3.99Å; I620-I720 HydrophobicContact CG1-CD1 3.69Å; I620-I720 HydrophobicContact CG1-CG1 4.47Å; I620-I720 HydrophobicContact CG1-CG2 4.23Å; I620-I720 HydrophobicContact CG2-CG2 4.46Å; V621-I720 PolarHBondContact N-O 3.38Å; V630-I720 HydrophobicContact CG1-CD1 4.32Å; I720-T722 HydrophobicContact CG2-CG2 3.71Å; I720-F1052 CarbonylContact C-O 3.56Å; I720-F1052 WeakPolarHBondContact CA-O 3.16Å; I720-F1052 HydrophobicContact CG1-CB 4.18Å; I720-L1083 HydrophobicContact CG2-CD2 3.69Å; I720-L1087 HydrophobicContact CD1-CD1 3.33Å; I720-L1087 HydrophobicContact CD1-CD2 4.2Å; I720-L1087 HydrophobicContact CD1-CG 4.41Å; I720-L1087 HydrophobicContact CG1-CD1 4.21Å
721I97.9Very high90.9Very high0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-97108.7179.9-61.4153.5000108.9I699 L719 L1027 L1038 I1051 F1052 A1053 A1054 I1057I699-I721 HydrophobicContact CD1-CD1 4.42Å; L719-I721 HydrophobicContact CD2-CD1 4.48Å; L719-I721 HydrophobicContact CG-CG1 4.37Å; I721-L1027 HydrophobicContact CD1-CD2 3.62Å; I721-L1038 HydrophobicContact CB-CD2 4.2Å; I721-L1038 HydrophobicContact CD1-CD2 4.03Å; I721-L1038 HydrophobicContact CG2-CD2 4.06Å; I721-I1051 HydrophobicContact CD1-CG2 3.68Å; I721-F1052 PolarHBondContact N-O 3.38Å; I721-A1053 HydrophobicContact CB-CB 4.13Å; I721-A1053 VanDerWaalsContact O-CA 3.26Å; I721-A1053 WeakPolarHBondContact O-CA 3.37Å; I721-A1054 PolarHBondContact O-N 3.01Å; I721-A1054 VanDerWaalsContact O-N 3.08Å; I721-I1057 HydrophobicContact CG2-CD1 4.26Å
722T97.4Very high90Very high0 Ų021.2 Ų21.20%011%0.108CC..  trans-123.721.7-179.647.90000111.8I620 V621 G622 S624 T626 G627 I720 G724 A1054I620-T722 WeakPolarHBondContact CG2-OG1 3.38Å; V621-T722 CarbonylContact O-C 3.53Å; V621-T722 WeakPolarHBondContact O-CA 3.23Å; V621-T722 PolarHBondContact O-N 2.96Å; V621-T722 PolarHBondContact O-OG1 3.28Å; G622-T722 PolarHBondContact O-OG1 2.86Å; S624-T722 VanDerWaalsContact CB-O 3.27Å; S624-T722 WeakPolarHBondContact CB-O 3.21Å; S624-T722 PolarHBondContact OG-O 3.19Å; T626-T722 HydrophobicContact CG2-CG2 3.86Å; G627-T722 WeakPolarHBondContact CA-OG1 3.49Å; I720-T722 HydrophobicContact CG2-CG2 3.71Å; T722-G724 PolarHBondContact O-N 2.87Å; T722-A1054 HydrophobicContact CG2-CB 4.36Å
723T93.8Very high88.8Confident13 Ų1321 Ų218%0.0811%0.108CC..  trans-59.9125.3177.552.70000109.5V621 V1023 I1057V621-T723 HydrophobicContact CB-CG2 4.5Å; V621-T723 HydrophobicContact CG1-CG2 3.79Å; V621-T723 PolarHBondContact O-N 2.98Å; T723-V1023 HydrophobicContact CG2-CG2 4.1Å; T723-I1057 VanDerWaalsContact O-CB 3.31Å; T723-I1057 WeakPolarHBondContact O-CB 3.47Å; T723-I1057 WeakPolarHBondContact O-CG2 3.4Å; T723-I1057 WeakPolarHBondContact OG1-CD1 3.47Å
724G90.8Very high87.2Confident24 Ų2418.7 Ų18.725%0.24711%0.109CC..  trans-68.2176173.500000112.2T722T722-G724 PolarHBondContact O-N 2.87Å
725L92.4Very high85.5Confident21 Ų2121.8 Ų21.811%0.1112%0.122CC..  trans-81.7146.5167.9-57.6173.5000109.7K1017 T1018 V1019 P1056L725-K1017 HydrophobicContact CB-CB 3.62Å; L725-T1018 CarbonylContact C-O 3.56Å; L725-T1018 WeakPolarHBondContact CA-O 3.38Å; L725-V1019 HydrophobicContact CD2-CG2 3.9Å; L725-P1056 HydrophobicContact CD1-CB 3.95Å; L725-P1056 HydrophobicContact CG-CB 3.83Å
726Q91.2Very high83.5Confident59 Ų5922.4 Ų22.428%0.27613%0.125SC..EExtended strand (participates in β ladder)trans-124.6145.9-176.8-67.8-177.114.700110.8H728 N802 K1017 T1018Q726-H728 PolarHBondContact O-CD2 3.18Å; Q726-H728 VanDerWaalsContact O-CD2 3.24Å; Q726-H728 PolarHBondContact O-N 3.09Å; Q726-N802 WeakPolarHBondContact CA-OD1 3.44Å; Q726-N802 HydrophobicContact CG-CB 4.3Å; Q726-K1017 CarbonylContact O-C 3.58Å; Q726-K1017 VanDerWaalsContact O-CA 3.24Å; Q726-K1017 WeakPolarHBondContact O-CA 3.43Å; Q726-T1018 PolarHBondContact N-O 3.13Å; Q726-T1018 PolarHBondContact O-N 3.47Å
727Y91.5Very high81.2Confident5 Ų528.8 Ų28.82%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-63.7130.4166-67-69.7000110.3V800 I801 N802 T916 D918 F1014 K1017Y727-V800 VanDerWaalsContact O-CG1 3.24Å; Y727-V800 WeakPolarHBondContact O-CG1 3.37Å; Y727-I801 WeakPolarHBondContact CD2-O 3.46Å; Y727-N802 PolarHBondContact N-OD1 3.16Å; Y727-N802 PolarHBondContact O-ND2 2.98Å; Y727-T916 HydrophobicContact CE1-CG2 4.28Å; Y727-T916 WeakPolarHBondContact OH-CB 3.26Å; Y727-T916 PolarHBondContact OH-OG1 3Å; Y727-D918 HydrophobicContact CE2-CB 4.09Å; Y727-D918 WeakPolarHBondContact OH-CB 3.37Å; Y727-D918 PolarHBondContact OH-OD2 3Å; Y727-F1014 HydrophobicContact CD1-CD1 4.46Å; Y727-F1014 AromaticContact CD2-CD1 3.88Å; Y727-F1014 HydrophobicContact CD2-CD1 3.88Å; Y727-F1014 HydrophobicContact CD2-CE1 4.26Å; Y727-F1014 VanDerWaalsContact CE1-C 3.48Å; Y727-F1014 HydrophobicContact CE1-CB 4.12Å; Y727-F1014 HydrophobicContact CE1-CD1 4.13Å; Y727-F1014 WeakPolarHBondContact CE1-O 3.12Å; Y727-F1014 AromaticContact CE2-CD1 3.51Å; Y727-F1014 HydrophobicContact CE2-CD1 3.51Å; Y727-F1014 AromaticContact CE2-CE1 3.99Å; Y727-F1014 HydrophobicContact CE2-CE1 3.99Å; Y727-F1014 HydrophobicContact CG-CD1 4.33Å; Y727-F1014 AromaticContact CZ-CD1 3.64Å; Y727-K1017 HydrophobicContact CD1-CG 3.77Å; Y727-K1017 HydrophobicContact CD2-CG 4.2Å; Y727-K1017 HydrophobicContact CE1-CD 4.45Å; Y727-K1017 HydrophobicContact CE1-CG 3.63Å; Y727-K1017 HydrophobicContact CE2-CD 4.19Å; Y727-K1017 HydrophobicContact CE2-CG 4.06Å; Y727-K1017 HydrophobicContact CG-CG 4.07Å; Y727-K1017 WeakPolarHBondContact OH-CE 3.49Å
728H84.8Confident78.8Confident24 Ų2434.2 Ų34.211%0.11118%0.184CC..  trans-128.7135175-77.2-82.7000109.6Q726 S730 I787 Y1013 T1018Q726-H728 PolarHBondContact O-CD2 3.18Å; Q726-H728 VanDerWaalsContact O-CD2 3.24Å; Q726-H728 PolarHBondContact O-N 3.09Å; H728-S730 PolarHBondContact O-N 3.36Å; H728-I787 HydrophobicContact CB-CD1 4.2Å; H728-I787 HydrophobicContact CB-CG1 4.38Å; H728-I787 HydrophobicContact CB-CG2 3.88Å; H728-Y1013 WeakPolarHBondContact O-CE1 3.21Å; H728-T1018 HydrophobicContact CB-CG2 4.03Å; H728-T1018 VanDerWaalsContact CD2-CG2 3.43Å; H728-T1018 WeakPolarHBondContact CD2-CG2 3.29Å
729V81.1Confident76.3Confident6 Ų638.9 Ų38.94%0.03621%0.211CC..  trans-68.4122.9173.2-175.20000108L788 L798 V800 W980 Y1013V729-L788 HydrophobicContact CG1-CD1 4.36Å; V729-L788 PolarHBondContact O-N 2.81Å; V729-L788 VanDerWaalsContact O-N 3.07Å; V729-L798 HydrophobicContact CG1-CD2 4.41Å; V729-L798 HydrophobicContact CG2-CD1 4.27Å; V729-L798 HydrophobicContact CG2-CD2 4.2Å; V729-L798 HydrophobicContact CG2-CG 4.36Å; V729-V800 HydrophobicContact CG2-CG2 3.81Å; V729-W980 HydrophobicContact CG1-CH2 3.79Å; V729-W980 HydrophobicContact CG1-CZ3 3.83Å; V729-Y1013 HydrophobicContact CB-CD2 4.43Å; V729-Y1013 HydrophobicContact CB-CG 4.48Å; V729-Y1013 HydrophobicContact CG1-CD2 4.05Å; V729-Y1013 HydrophobicContact CG1-CE2 4.08Å; V729-Y1013 HydrophobicContact CG2-CD1 4.4Å; V729-Y1013 HydrophobicContact CG2-CD2 4.25Å; V729-Y1013 HydrophobicContact CG2-CG 4Å
730S77.1Confident73.5Confident1 Ų141.5 Ų41.51%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-121.9140.1176.867.50000110.7H728 A786 Y1013H728-S730 PolarHBondContact O-N 3.36Å; S730-A786 VanDerWaalsContact CA-O 3.28Å; S730-A786 WeakPolarHBondContact CA-O 3.19Å; S730-Y1013 PolarHBondContact N-OH 3.32Å; S730-Y1013 PolarHBondContact O-OH 2.76Å; S730-Y1013 PolarHBondContact OG-OH 3.15Å
731C68.3Low70.8Confident17 Ų1750.4 Ų50.412%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-127.9156.1177.777.10000111.2I733 F785 A786C731-I733 PolarHBondContact O-N 3.07Å; C731-F785 CarbonylContact O-C 3.54Å; C731-F785 VanDerWaalsContact O-CA 3.26Å; C731-F785 WeakPolarHBondContact O-CA 3.46Å; C731-A786 PolarHBondContact N-O 3.31Å; C731-A786 VanDerWaalsContact N-O 3.12Å; C731-A786 PolarHBondContact O-N 3.03Å
732P67.5Low67.9Low15 Ų1556.7 Ų56.710%0.09730%0.299CS..EExtended strand (participates in β ladder)trans-57132.9176.8-24.633.9000112.2S734 K735 F785 L977P732-S734 VanDerWaalsContact C-N 3.26Å; P732-S734 PolarHBondContact O-N 3.31Å; P732-K735 PolarHBondContact O-N 3.07Å; P732-F785 HydrophobicContact CG-CD1 4.29Å; P732-F785 HydrophobicContact CG-CE1 3.79Å; P732-F785 HydrophobicContact CG-CZ 4.46Å; P732-L977 WeakPolarHBondContact CD-O 3.36Å
733I64.4Low65.2Low42 Ų4266.3 Ų66.322%0.21534%0.344CS..Hα-helixtrans-61.1-35.3-178.6-66.2-174000112C731 K735 L736 E737 R784 A786C731-I733 PolarHBondContact O-N 3.07Å; I733-K735 PolarHBondContact O-N 3.34Å; I733-L736 PolarHBondContact O-N 2.85Å; I733-E737 HydrophobicContact CG2-CG 4.48Å; I733-E737 PolarHBondContact O-N 3.08Å; I733-R784 HydrophobicContact CD1-CB 3.77Å; I733-R784 HydrophobicContact CG1-CB 4.18Å; I733-R784 WeakPolarHBondContact CG1-O 3.36Å; I733-R784 PolarHBondContact N-O 3Å; I733-A786 HydrophobicContact CD1-CB 4.48Å; I733-A786 HydrophobicContact CG1-CB 3.91Å
734S58.8Low62.5Low87 Ų8771 Ų7161%0.60837%0.373SS*.Hα-helixtrans-55.6-20.5179.9530000114.1P732P732-S734 VanDerWaalsContact C-N 3.26Å; P732-S734 PolarHBondContact O-N 3.31Å
735K57.3Low60.2Low70 Ų7073.3 Ų73.330%0.30438%0.38SS..Hα-helixtrans-98.7-23.3174.5-73.8-170.9166-172.50114P732 I733 N738 D978 H979P732-K735 PolarHBondContact O-N 3.07Å; I733-K735 PolarHBondContact O-N 3.34Å; K735-N738 PolarHBondContact O-N 3.03Å; K735-D978 WeakPolarHBondContact CD-O 3.37Å; K735-D978 VanDerWaalsContact CE-OD1 3.25Å; K735-D978 WeakPolarHBondContact CE-OD1 3.32Å; K735-D978 IonicContact NZ-OD1 2.66Å; K735-D978 PolarHBondContact NZ-OD1 3.42Å; K735-D978 IonicContact NZ-OD2 2.83Å; K735-D978 PolarHBondContact NZ-OD2 2.93Å; K735-H979 HydrophobicContact CD-CB 4.31Å; K735-H979 PolarHBondContact NZ-CD2 3.45Å
736L53.4Low57.9Low22 Ų2280.3 Ų80.312%0.11542%0.417CS..Hα-helixtrans-72.4-32178.6-153.880.3000111.8I733 N738 L739 T740 L748 A786I733-L736 PolarHBondContact O-N 2.85Å; L736-N738 PolarHBondContact O-N 3.22Å; L736-N738 VanDerWaalsContact O-N 3.09Å; L736-L739 PolarHBondContact O-N 2.82Å; L736-T740 HydrophobicContact CG-CG2 4.34Å; L736-T740 PolarHBondContact O-N 2.87Å; L736-T740 VanDerWaalsContact O-N 3.1Å; L736-T740 PolarHBondContact O-OG1 3.02Å; L736-L748 HydrophobicContact CD2-CD1 3.36Å; L736-L748 HydrophobicContact CD2-CD2 3.67Å; L736-L748 HydrophobicContact CD2-CG 4.15Å; L736-A786 HydrophobicContact CD2-CB 3.78Å
737E48.8Very low56.1Low135 Ų13581 Ų8163%0.63142%0.423SS*.THydrogen-bonded Turntrans-56.5-24.3174.4-70.5-179.8176.200113.1I733I733-E737 HydrophobicContact CG2-CG 4.48Å; I733-E737 PolarHBondContact O-N 3.08Å
738N44.6Very low54.4Low131 Ų13183.4 Ų83.470%0.70144%0.436SS*.THydrogen-bonded Turntrans-82.4-20.5175.6-69.8-33.5000113.8K735 L736K735-N738 PolarHBondContact O-N 3.03Å; L736-N738 PolarHBondContact O-N 3.22Å; L736-N738 VanDerWaalsContact O-N 3.09Å
739L44.1Very low53.2Low145 Ų14583.3 Ų83.376%0.75944%0.436SS*.THydrogen-bonded Turntrans-94-24.7179-75.7159.1000112.3L736 K741L736-L739 PolarHBondContact O-N 2.82Å; L739-K741 PolarHBondContact O-N 2.91Å
740T41Very low52.4Low55 Ų5586.7 Ų86.734%0.33746%0.46SS..  trans-102.168-177.858.80000111.6L736 D742L736-T740 HydrophobicContact CG-CG2 4.34Å; L736-T740 PolarHBondContact O-N 2.87Å; L736-T740 VanDerWaalsContact O-N 3.1Å; L736-T740 PolarHBondContact O-OG1 3.02Å; T740-D742 VanDerWaalsContact C-N 3.33Å
741K40.6Very low51.8Low187 Ų18787.8 Ų87.881%0.81347%0.465SS*.  trans-84.4-8.5162.5-77.9-174.2178.7176.80113.2L739L739-K741 PolarHBondContact O-N 2.91Å
742D38Very low51.7Low132 Ų13290.3 Ų90.371%0.70648%0.477SS*.SBendtrans-95.2125.4171.9-72.1-30.3000110.4T740 T744T740-D742 VanDerWaalsContact C-N 3.33Å; D742-T744 PolarHBondContact O-N 3.21Å
743E38.9Very low51.7Low202 Ų20289.9 Ų89.994%0.94447%0.474SS*.THydrogen-bonded Turntrans-63.522.3-172.8-66.1-175.4142.800115.9
744T37.2Very low51.8Low111 Ų11193.8 Ų93.868%0.68149%0.487SS*.THydrogen-bonded Turntrans-96.4-1.1-171.347.90000117D742D742-T744 PolarHBondContact O-N 3.21Å
745N42.4Very low52.4Low73 Ų7389.9 Ų89.939%0.3946%0.459SS..  trans-118.455.7-172-81.8-16.8000116.5N747 L748N745-N747 PolarHBondContact O-N 2.96Å; N745-N747 VanDerWaalsContact O-N 3.1Å; N745-L748 HydrophobicContact CB-CD1 4.46Å; N745-L748 HydrophobicContact CB-CG 4.42Å
746N46Very low52.5Low168 Ų16890.2 Ų90.290%0.89846%0.464SS*.THydrogen-bonded Turntrans-66.73161.9-91.5-14.4000114.1
747N52.2Low52.2Low73 Ų7393.8 Ų93.839%0.3948%0.48SS..THydrogen-bonded Turntrans-102.74.7-172.8-62.2-32.2000114.5N745 I749 Q789N745-N747 PolarHBondContact O-N 2.96Å; N745-N747 VanDerWaalsContact O-N 3.1Å; N747-I749 PolarHBondContact O-N 3.31Å; N747-Q789 VanDerWaalsContact C-NE2 3.34Å; N747-Q789 VanDerWaalsContact CB-NE2 3.26Å; N747-Q789 PolarHBondContact O-NE2 3.11Å
748L56.6Low51.6Low55 Ų5594.3 Ų94.329%0.28849%0.487SS..  trans-64.1121.8-179.6-66.9161.7000110.8L736 N745 S750 A786 I787 Q789L736-L748 HydrophobicContact CD2-CD1 3.36Å; L736-L748 HydrophobicContact CD2-CD2 3.67Å; L736-L748 HydrophobicContact CD2-CG 4.15Å; N745-L748 HydrophobicContact CB-CD1 4.46Å; N745-L748 HydrophobicContact CB-CG 4.42Å; L748-S750 PolarHBondContact O-N 3.18Å; L748-S750 VanDerWaalsContact O-N 3.11Å; L748-A786 HydrophobicContact CB-CB 4.42Å; L748-A786 HydrophobicContact CD2-CB 4.22Å; L748-I787 WeakPolarHBondContact CD2-O 3.4Å; L748-Q789 HydrophobicContact CD2-CG 4.48Å
749I59.5Low51.1Low22 Ų2295.7 Ų95.711%0.11349%0.489CS..  trans-71.6107166.7-59-176.6000106.8N747 M751 I787 V1021 F1024N747-I749 PolarHBondContact O-N 3.31Å; I749-M751 HydrophobicContact CG2-CG 4.18Å; I749-I787 HydrophobicContact CB-CB 4.38Å; I749-I787 HydrophobicContact CB-CD1 3.7Å; I749-I787 HydrophobicContact CB-CG1 4.12Å; I749-I787 HydrophobicContact CD1-CD1 4.12Å; I749-I787 HydrophobicContact CG1-CD1 4.4Å; I749-I787 HydrophobicContact CG2-CD1 3.81Å; I749-I787 HydrophobicContact CG2-CG1 4.46Å; I749-I787 PolarHBondContact O-N 3.3Å; I749-V1021 HydrophobicContact CD1-CB 4.32Å; I749-V1021 HydrophobicContact CD1-CG1 4.34Å; I749-V1021 HydrophobicContact CD1-CG2 3.96Å; I749-F1024 HydrophobicContact CD1-CB 4.01Å; I749-F1024 HydrophobicContact CD1-CD1 3.59Å; I749-F1024 HydrophobicContact CD1-CE1 4.27Å; I749-F1024 HydrophobicContact CD1-CG 3.86Å; I749-F1024 HydrophobicContact CG1-CD1 3.81Å; I749-F1024 HydrophobicContact CG1-CE1 4.04Å
750S63.6Low50.5Low78 Ų7896 Ų9655%0.54549%0.492SS..EExtended strand (participates in β ladder)trans-78.2122170.162.70000109.5L748 F785L748-S750 PolarHBondContact O-N 3.18Å; L748-S750 VanDerWaalsContact O-N 3.11Å; S750-F785 CarbonylContact C-O 3.5Å; S750-F785 WeakPolarHBondContact CA-O 3.47Å
751M64Low49.8Very low23 Ų23100 Ų10011%0.11351%0.511CS..EExtended strand (participates in β ladder)trans-107.4136.7171.8-67-162-72.100109.9I749 F753 F785 I787 T1018I749-M751 HydrophobicContact CG2-CG 4.18Å; M751-F753 HydrophobicContact CB-CE1 4.07Å; M751-F753 HydrophobicContact CB-CZ 4.37Å; M751-F753 HydrophobicContact CE-CE1 4.16Å; M751-F753 HydrophobicContact CE-CZ 3.92Å; M751-F753 HydrophobicContact SD-CE1 4.36Å; M751-F785 PolarHBondContact N-O 3.04Å; M751-F785 PolarHBondContact O-N 3.28Å; M751-I787 HydrophobicContact CE-CD1 3.84Å; M751-I787 HydrophobicContact CE-CG1 3.7Å; M751-I787 HydrophobicContact SD-CD1 4.23Å; M751-T1018 HydrophobicContact CE-CG2 4.02Å; M751-T1018 HydrophobicContact SD-CG2 3.87Å
752N67.4Low49.3Very low70 Ų7098.8 Ų98.837%0.37451%0.514SS..EExtended strand (participates in β ladder)trans-97.7120.7168.9-64.5-26.9000107.7Y754 R784N752-Y754 HydrophobicContact CB-CD2 4.44Å; N752-Y754 HydrophobicContact CB-CE2 3.71Å; N752-R784 VanDerWaalsContact OD1-CG 3.23Å; N752-R784 WeakPolarHBondContact OD1-CG 3.5Å
753F66.1Low48.7Very low7 Ų797 Ų973%0.03151%0.511CS..EExtended strand (participates in β ladder)trans-95.3128.1167.5-59.6-35.5000109.1M751 Y755 H783 F785 M944 H1015 V1016M751-F753 HydrophobicContact CB-CE1 4.07Å; M751-F753 HydrophobicContact CB-CZ 4.37Å; M751-F753 HydrophobicContact CE-CE1 4.16Å; M751-F753 HydrophobicContact CE-CZ 3.92Å; M751-F753 HydrophobicContact SD-CE1 4.36Å; F753-Y755 HydrophobicContact CB-CE1 4.24Å; F753-Y755 HydrophobicContact CB-CE2 3.88Å; F753-Y755 WeakPolarHBondContact CD2-OH 3.47Å; F753-H783 PolarHBondContact N-O 3.04Å; F753-H783 PolarHBondContact O-N 3.43Å; F753-F785 HydrophobicContact CB-CD2 4.38Å; F753-F785 HydrophobicContact CB-CE2 4.24Å; F753-F785 HydrophobicContact CD2-CB 4.39Å; F753-F785 HydrophobicContact CD2-CD1 4.3Å; F753-F785 AromaticContact CD2-CD2 3.08Å; F753-F785 HydrophobicContact CD2-CD2 3.08Å; F753-F785 HydrophobicContact CD2-CE1 4.41Å; F753-F785 AromaticContact CD2-CE2 3.16Å; F753-F785 HydrophobicContact CD2-CE2 3.16Å; F753-F785 AromaticContact CD2-CG 3.7Å; F753-F785 HydrophobicContact CD2-CG 3.7Å; F753-F785 AromaticContact CD2-CZ 3.89Å; F753-F785 HydrophobicContact CD2-CZ 3.89Å; F753-F785 HydrophobicContact CE2-CB 3.88Å; F753-F785 AromaticContact CE2-CD1 3.92Å; F753-F785 HydrophobicContact CE2-CD1 3.92Å; F753-F785 AromaticContact CE2-CD2 3.39Å; F753-F785 HydrophobicContact CE2-CD2 3.39Å; F753-F785 HydrophobicContact CE2-CE1 4.32Å; F753-F785 AromaticContact CE2-CE2 3.79Å; F753-F785 HydrophobicContact CE2-CE2 3.79Å; F753-F785 AromaticContact CE2-CG 3.46Å; F753-F785 HydrophobicContact CE2-CG 3.46Å; F753-F785 VanDerWaalsContact CE2-CG 3.46Å; F753-F785 HydrophobicContact CE2-CZ 4.26Å; F753-F785 AromaticContact CG-CD2 3.93Å; F753-F785 HydrophobicContact CG-CD2 3.93Å; F753-F785 HydrophobicContact CG-CE2 4.09Å; F753-F785 HydrophobicContact CZ-CB 4.4Å; F753-F785 HydrophobicContact CZ-CD2 4.47Å; F753-F785 HydrophobicContact CZ-CG 4.43Å; F753-M944 HydrophobicContact CB-CG 4.38Å; F753-M944 HydrophobicContact CB-SD 4Å; F753-M944 HydrophobicContact CD1-SD 3.49Å; F753-M944 WeakPolarHBondContact CD1-SD 3.46Å; F753-M944 HydrophobicContact CE1-SD 4.17Å; F753-M944 HydrophobicContact CG-SD 3.83Å; F753-H1015 AromaticContact CD2-CE1 3.75Å; F753-H1015 AromaticContact CE2-CE1 3.62Å; F753-H1015 AromaticContact CE2-ND1 3.86Å; F753-V1016 HydrophobicContact CD1-CG2 4.47Å; F753-V1016 HydrophobicContact CE1-CB 4.31Å; F753-V1016 HydrophobicContact CE1-CG1 4.47Å; F753-V1016 HydrophobicContact CE1-CG2 3.79Å; F753-V1016 HydrophobicContact CZ-CG2 4.09Å
754Y68.2Low48.1Very low124 Ų12493.6 Ų93.649%0.48651%0.508SS..EExtended strand (participates in β ladder)trans-110.9107.5175.2-62.4-83.4000107.4N752 M944 K945N752-Y754 HydrophobicContact CB-CD2 4.44Å; N752-Y754 HydrophobicContact CB-CE2 3.71Å; Y754-M944 CarbonylContact O-C 3.54Å; Y754-M944 WeakPolarHBondContact O-CA 3.42Å; Y754-K945 PolarHBondContact O-N 3.39Å
755Y70Confident47.3Very low5 Ų594.8 Ų94.82%0.0251%0.511CS..BIsolated β-bridgetrans-86.5151.4-178.4-60.7-69.3000111.7F753 H783 P942 E943 M944 K945 I976F753-Y755 HydrophobicContact CB-CE1 4.24Å; F753-Y755 HydrophobicContact CB-CE2 3.88Å; F753-Y755 WeakPolarHBondContact CD2-OH 3.47Å; Y755-H783 HydrophobicContact CE2-CB 4.31Å; Y755-H783 AromaticContact CE2-CD2 3.8Å; Y755-P942 HydrophobicContact CD1-CB 3.66Å; Y755-P942 HydrophobicContact CD1-CG 4.31Å; Y755-P942 VanDerWaalsContact CD1-O 3.24Å; Y755-P942 WeakPolarHBondContact CD1-O 3.4Å; Y755-P942 HydrophobicContact CE1-CB 4.12Å; Y755-P942 HydrophobicContact CE1-CG 4.38Å; Y755-P942 VanDerWaalsContact CE1-O 3.26Å; Y755-P942 WeakPolarHBondContact CE1-O 3.44Å; Y755-P942 HydrophobicContact CG-CB 4.08Å; Y755-E943 WeakPolarHBondContact CA-O 3.42Å; Y755-M944 HydrophobicContact CD1-CG 3.8Å; Y755-M944 HydrophobicContact CE1-CG 3.77Å; Y755-K945 WeakPolarHBondContact O-CE 3.15Å; Y755-I976 HydrophobicContact CE2-CD1 4.04Å
756N60.1Low46.5Very low77 Ų7798.6 Ų98.641%0.41253%0.531SS..  trans-71125166.4-68.9-28000108E943 K945N756-E943 PolarHBondContact N-O 2.93Å; N756-K945 WeakPolarHBondContact OD1-CA 3.35Å; N756-K945 WeakPolarHBondContact OD1-CG 3.49Å
757H47.5Very low45.6Very low96 Ų9696.4 Ų96.444%0.44452%0.524SS..  trans-128.5137.5161.7-78.8-69000107.1E759H757-E759 PolarHBondContact O-N 3.06Å
758D35.7Very low44.2Very low146 Ų146100.8 Ų100.878%0.78155%0.547SS*.  trans-6499.2-178.8-62.8-53.2000111.1
759E34.9Very low42.9Very low160 Ų160104.2 Ų104.275%0.74857%0.57SS**  trans-14696.9144.1-77.2-161.2164.400108.1H757 N761H757-E759 PolarHBondContact O-N 3.06Å; E759-N761 PolarHBondContact O-N 2.96Å
760D31.1Very low41.2Very low152 Ų152108.1 Ų108.181%0.81360%0.599SS**  trans-57.896.8164.2-79.6-36.6000109.9
761N26.6Very low39.2Very low139 Ų139115.2 Ų115.274%0.74361%0.614SS**  trans-116.790149.4-90.3-44.2000108.1E759 S763E759-N761 PolarHBondContact O-N 2.96Å; N761-S763 PolarHBondContact O-N 2.91Å
762N28.6Very low37.3Very low162 Ų162125 Ų12587%0.86665%0.651SS**  trans-5380.8161.9-94.6-30.5000110.3
763S25.4Very low35.2Very low94 Ų94124.9 Ų124.966%0.65767%0.666SS**  trans-148.987.6156.5710000109.8N761 N765N761-S763 PolarHBondContact O-N 2.91Å; S763-N765 PolarHBondContact O-N 3.41Å
764C26Very low33.2Very low130 Ų130131 Ų13188%0.87871%0.705SS**  trans-68.883.2159.6-70.30000107.8
765N22.4Very low31.1Very low137 Ų137132.9 Ų132.973%0.73372%0.723SS**  trans-157.6115.9163.4-92.3-30.7000111.2S763S763-N765 PolarHBondContact O-N 3.41Å
766N24.8Very low29Very low152 Ų152140.1 Ų140.181%0.81376%0.762SS**  trans51.795.5158.4-66.9-23.2000118.7
767V26.1Very low27.4Very low123 Ų123142.6 Ų142.675%0.74578%0.78SS**  trans-144.6109.2143.3-169.10000111.4V769V767-V769 VanDerWaalsContact C-N 3.3Å; V767-V769 HydrophobicContact CB-CG2 4.19Å; V767-V769 HydrophobicContact CG1-CG2 3.74Å; V767-V769 PolarHBondContact O-N 3.09Å
768N23.5Very low26.4Very low165 Ų165145.7 Ų145.788%0.88280%0.798SS**  trans-58.692.5152.3-76.3-45.3000108.3S770N768-S770 PolarHBondContact O-N 3.27Å; N768-S770 VanDerWaalsContact O-N 3.15Å
769V29.5Very low26.3Very low126 Ų126141.5 Ų141.576%0.76479%0.79SS**  trans-76.8105.8174.2-179.30000108.1V767V767-V769 VanDerWaalsContact C-N 3.3Å; V767-V769 HydrophobicContact CB-CG2 4.19Å; V767-V769 HydrophobicContact CG1-CG2 3.74Å; V767-V769 PolarHBondContact O-N 3.09Å
770S22.9Very low26.4Very low105 Ų105138.6 Ų138.673%0.73478%0.779SS**  trans-57.2142174.2400000111.9N768N768-S770 PolarHBondContact O-N 3.27Å; N768-S770 VanDerWaalsContact O-N 3.15Å
771R22.9Very low26.9Very low227 Ų227136.8 Ų136.886%0.85777%0.767SS**SBendtrans-62135.1171.4-64.6174.2174.6170.5-3.3110.2
772Y24.3Very low28Very low228 Ų228133.6 Ų133.689%0.89476%0.756SS**  trans70.2113.5167.9-56.5-80000117.2
773G23.2Very low29.5Very low67 Ų67129 Ų12969%0.69173%0.729SS**  trans146111.7155.800000117.2
774T24Very low31.2Very low137 Ų137132.8 Ų132.884%0.8473%0.729SS**  trans66.6109142.257.20000122N776T774-N776 PolarHBondContact O-N 3.11Å
775N23.3Very low33.2Very low162 Ų162126.7 Ų126.787%0.86669%0.687SS**  trans17.294.7134-63.2-5.1000117.7
776N25.5Very low35.3Very low158 Ų158120.2 Ų120.285%0.84565%0.653SS**  trans-142.9138.7141.2-108.5-9.6000108.7T774T774-N776 PolarHBondContact O-N 3.11Å
777T27.6Very low37.5Very low129 Ų129113 Ų11379%0.79162%0.615SS**SBendtrans-77.1145.1-157.732.80000115
778I27.1Very low39.4Very low161 Ų161109.8 Ų109.883%0.82659%0.593SS**SBendtrans81.8-6.1167.2-40.7-179.1000117.3
779G32.5Very low41.1Very low58 Ų58105.2 Ų105.260%0.59857%0.566SS**SBendtrans-85.2125.7174.200000114.6
780N36.7Very low42.3Very low99 Ų99101 Ų10153%0.52954%0.543SS..  trans42.382.4165.6-70.5-41.7000115.4S782 K945N780-S782 PolarHBondContact O-N 2.9Å; N780-K945 PolarHBondContact OD1-NZ 2.81Å
781M42.2Very low43.7Very low113 Ų113103.8 Ų103.856%0.55754%0.541SS*.  trans-65.7100.4168.6-72.2-148.7-160.400110.6
782S49.4Very low45Very low72 Ų7299.6 Ų99.650%0.50354%0.542SS..EExtended strand (participates in β ladder)trans-82.2113.7164.165.60000108.7N780N780-S782 PolarHBondContact O-N 2.9Å
783H61.3Low46.5Very low67 Ų6792.5 Ų92.531%0.3153%0.525SS..EExtended strand (participates in β ladder)trans-98.2132.3173-75-77.3000110.1F753 Y755 F785F753-H783 PolarHBondContact N-O 3.04Å; F753-H783 PolarHBondContact O-N 3.43Å; Y755-H783 HydrophobicContact CE2-CB 4.31Å; Y755-H783 AromaticContact CE2-CD2 3.8Å; H783-F785 HydrophobicContact CB-CD2 3.99Å; H783-F785 HydrophobicContact CB-CE2 3.23Å; H783-F785 HydrophobicContact CB-CZ 3.98Å; H783-F785 WeakPolarHBondContact O-CD2 3.25Å
784R60.4Low48.6Very low172 Ų17292.3 Ų92.365%0.64950%0.503SS*.EExtended strand (participates in β ladder)trans-91.7123.5173.4-86.7-175.7-176.4176.65110I733 N752I733-R784 HydrophobicContact CD1-CB 3.77Å; I733-R784 HydrophobicContact CG1-CB 4.18Å; I733-R784 WeakPolarHBondContact CG1-O 3.36Å; I733-R784 PolarHBondContact N-O 3Å; N752-R784 VanDerWaalsContact OD1-CG 3.23Å; N752-R784 WeakPolarHBondContact OD1-CG 3.5Å
785F67.8Low51.1Low2 Ų286.1 Ų86.11%0.00947%0.466CS..EExtended strand (participates in β ladder)trans-117.8151.4177-68.1-102.5000110.6C731 P732 S750 M751 F753 H783 I976C731-F785 CarbonylContact O-C 3.54Å; C731-F785 VanDerWaalsContact O-CA 3.26Å; C731-F785 WeakPolarHBondContact O-CA 3.46Å; P732-F785 HydrophobicContact CG-CD1 4.29Å; P732-F785 HydrophobicContact CG-CE1 3.79Å; P732-F785 HydrophobicContact CG-CZ 4.46Å; S750-F785 CarbonylContact C-O 3.5Å; S750-F785 WeakPolarHBondContact CA-O 3.47Å; M751-F785 PolarHBondContact N-O 3.04Å; M751-F785 PolarHBondContact O-N 3.28Å; F753-F785 HydrophobicContact CB-CD2 4.38Å; F753-F785 HydrophobicContact CB-CE2 4.24Å; F753-F785 HydrophobicContact CD2-CB 4.39Å; F753-F785 HydrophobicContact CD2-CD1 4.3Å; F753-F785 AromaticContact CD2-CD2 3.08Å; F753-F785 HydrophobicContact CD2-CD2 3.08Å; F753-F785 HydrophobicContact CD2-CE1 4.41Å; F753-F785 AromaticContact CD2-CE2 3.16Å; F753-F785 HydrophobicContact CD2-CE2 3.16Å; F753-F785 AromaticContact CD2-CG 3.7Å; F753-F785 HydrophobicContact CD2-CG 3.7Å; F753-F785 AromaticContact CD2-CZ 3.89Å; F753-F785 HydrophobicContact CD2-CZ 3.89Å; F753-F785 HydrophobicContact CE2-CB 3.88Å; F753-F785 AromaticContact CE2-CD1 3.92Å; F753-F785 HydrophobicContact CE2-CD1 3.92Å; F753-F785 AromaticContact CE2-CD2 3.39Å; F753-F785 HydrophobicContact CE2-CD2 3.39Å; F753-F785 HydrophobicContact CE2-CE1 4.32Å; F753-F785 AromaticContact CE2-CE2 3.79Å; F753-F785 HydrophobicContact CE2-CE2 3.79Å; F753-F785 AromaticContact CE2-CG 3.46Å; F753-F785 HydrophobicContact CE2-CG 3.46Å; F753-F785 VanDerWaalsContact CE2-CG 3.46Å; F753-F785 HydrophobicContact CE2-CZ 4.26Å; F753-F785 AromaticContact CG-CD2 3.93Å; F753-F785 HydrophobicContact CG-CD2 3.93Å; F753-F785 HydrophobicContact CG-CE2 4.09Å; F753-F785 HydrophobicContact CZ-CB 4.4Å; F753-F785 HydrophobicContact CZ-CD2 4.47Å; F753-F785 HydrophobicContact CZ-CG 4.43Å; H783-F785 HydrophobicContact CB-CD2 3.99Å; H783-F785 HydrophobicContact CB-CE2 3.23Å; H783-F785 HydrophobicContact CB-CZ 3.98Å; H783-F785 WeakPolarHBondContact O-CD2 3.25Å; F785-I976 HydrophobicContact CE1-CG2 3.96Å; F785-I976 HydrophobicContact CZ-CG2 3.66Å
786A67.4Low53.9Low2 Ų281.3 Ų81.32%0.01745%0.445CS..EExtended strand (participates in β ladder)trans-114143.1171.100000110.5S730 C731 I733 L736 L748S730-A786 VanDerWaalsContact CA-O 3.28Å; S730-A786 WeakPolarHBondContact CA-O 3.19Å; C731-A786 PolarHBondContact N-O 3.31Å; C731-A786 VanDerWaalsContact N-O 3.12Å; C731-A786 PolarHBondContact O-N 3.03Å; I733-A786 HydrophobicContact CD1-CB 4.48Å; I733-A786 HydrophobicContact CG1-CB 3.91Å; L736-A786 HydrophobicContact CD2-CB 3.78Å; L748-A786 HydrophobicContact CB-CB 4.42Å; L748-A786 HydrophobicContact CD2-CB 4.22Å
787I69.2Low57Low1 Ų174 Ų741%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-78.5130.4173.2-63.3-177.1000110.1H728 L748 I749 M751 Q789 T1018 V1021H728-I787 HydrophobicContact CB-CD1 4.2Å; H728-I787 HydrophobicContact CB-CG1 4.38Å; H728-I787 HydrophobicContact CB-CG2 3.88Å; L748-I787 WeakPolarHBondContact CD2-O 3.4Å; I749-I787 HydrophobicContact CB-CB 4.38Å; I749-I787 HydrophobicContact CB-CD1 3.7Å; I749-I787 HydrophobicContact CB-CG1 4.12Å; I749-I787 HydrophobicContact CD1-CD1 4.12Å; I749-I787 HydrophobicContact CG1-CD1 4.4Å; I749-I787 HydrophobicContact CG2-CD1 3.81Å; I749-I787 HydrophobicContact CG2-CG1 4.46Å; I749-I787 PolarHBondContact O-N 3.3Å; M751-I787 HydrophobicContact CE-CD1 3.84Å; M751-I787 HydrophobicContact CE-CG1 3.7Å; M751-I787 HydrophobicContact SD-CD1 4.23Å; I787-Q789 PolarHBondContact O-N 3.27Å; I787-T1018 HydrophobicContact CD1-CG2 3.55Å; I787-V1021 HydrophobicContact CG2-CG2 3.81Å
788L66.5Low59.9Low54 Ų5468.3 Ų68.328%0.28337%0.37SS..  trans-69.4118.7166-99.1107000110.2V729 W980V729-L788 HydrophobicContact CG1-CD1 4.36Å; V729-L788 PolarHBondContact O-N 2.81Å; V729-L788 VanDerWaalsContact O-N 3.07Å; L788-W980 HydrophobicContact CD1-CH2 3.83Å; L788-W980 HydrophobicContact CD1-CZ2 4.39Å; L788-W980 HydrophobicContact CD2-CZ2 4.49Å
789Q59.6Low63Low69 Ų6961.6 Ų61.632%0.32234%0.335SS..  trans-81.6-29.4-172.7-61.5-164.5-62.600114.8N747 L748 I787 V1021N747-Q789 VanDerWaalsContact C-NE2 3.34Å; N747-Q789 VanDerWaalsContact CB-NE2 3.26Å; N747-Q789 PolarHBondContact O-NE2 3.11Å; L748-Q789 HydrophobicContact CD2-CG 4.48Å; I787-Q789 PolarHBondContact O-N 3.27Å; Q789-V1021 HydrophobicContact CG-CG1 4.26Å
790S53.6Low65.8Low39 Ų3959.9 Ų59.927%0.27331%0.313SS..  trans-103121-163.6150.10000112.4T792 S793S790-T792 VanDerWaalsContact C-N 3.27Å; S790-T792 PolarHBondContact OG-N 3.01Å; S790-T792 PolarHBondContact OG-OG1 3.32Å; S790-S793 VanDerWaalsContact CB-OG 3.22Å; S790-S793 WeakPolarHBondContact CB-OG 3.48Å; S790-S793 WeakPolarHBondContact OG-CB 3.28Å; S790-S793 PolarHBondContact OG-N 2.89Å; S790-S793 PolarHBondContact OG-OG 3.4Å
791K52.4Low68.5Low162 Ų16255.1 Ų55.170%0.70429%0.288SS*.SBendtrans-65.8-30.4163.6-77.3-168.6175.7-169.10111.8S793 R794K791-S793 VanDerWaalsContact C-N 3.35Å; K791-S793 PolarHBondContact O-N 3.21Å; K791-R794 WeakPolarHBondContact O-CB 3.11Å; K791-R794 PolarHBondContact O-N 2.97Å
792T50Low70.8Confident140 Ų14052.2 Ų52.286%0.85928%0.275SS*.THydrogen-bonded Turntrans-74-20.1-174.950.60000114.5S790S790-T792 VanDerWaalsContact C-N 3.27Å; S790-T792 PolarHBondContact OG-N 3.01Å; S790-T792 PolarHBondContact OG-OG1 3.32Å
793S57.1Low72.8Confident79 Ų7951.2 Ų51.255%0.55226%0.264SS*.THydrogen-bonded Turntrans-104.94.517759.70000112.9S790 K791S790-S793 VanDerWaalsContact CB-OG 3.22Å; S790-S793 WeakPolarHBondContact CB-OG 3.48Å; S790-S793 WeakPolarHBondContact OG-CB 3.28Å; S790-S793 PolarHBondContact OG-N 2.89Å; S790-S793 PolarHBondContact OG-OG 3.4Å; K791-S793 VanDerWaalsContact C-N 3.35Å; K791-S793 PolarHBondContact O-N 3.21Å
794R67.7Low74.1Confident62 Ų6248.8 Ų48.823%0.23425%0.253CS..SBendtrans-79.6134.1-175.3-169.6174167.3143.41.5110.1K791 L798 F799 V800K791-R794 WeakPolarHBondContact O-CB 3.11Å; K791-R794 PolarHBondContact O-N 2.97Å; R794-L798 HydrophobicContact CG-CB 4.11Å; R794-L798 HydrophobicContact CG-CD2 3.93Å; R794-L798 HydrophobicContact CG-CG 4.13Å; R794-L798 PolarHBondContact NE-O 3.28Å; R794-L798 PolarHBondContact NH2-O 2.81Å; R794-F799 PolarHBondContact NH2-O 2.92Å; R794-V800 VanDerWaalsContact NH1-CG2 3.28Å; R794-V800 VanDerWaalsContact NH2-CB 3.34Å
795P76.7Confident75.5Confident7 Ų742.7 Ų42.75%0.04523%0.233CC..  trans-51.7141170.2-28.635.9000112.4N797 L798 F990 I992P795-N797 PolarHBondContact O-N 3.45Å; P795-L798 HydrophobicContact CB-CB 4.06Å; P795-L798 PolarHBondContact O-N 3.03Å; P795-L798 VanDerWaalsContact O-N 3.12Å; P795-F990 VanDerWaalsContact CA-O 3.23Å; P795-F990 WeakPolarHBondContact CA-O 3.36Å; P795-F990 WeakPolarHBondContact CB-O 3.46Å; P795-I992 HydrophobicContact CB-CD1 3.95Å; P795-I992 HydrophobicContact CB-CG1 3.52Å; P795-I992 HydrophobicContact CG-CD1 3.97Å; P795-I992 HydrophobicContact CG-CG1 3.65Å
796S81.4Confident76.6Confident62 Ų6244.6 Ų44.643%0.43424%0.243SC..THydrogen-bonded Turntrans-72.8-18.1-170.689.80000113.6R813 D991S796-R813 PolarHBondContact O-NH1 2.97Å; S796-R813 PolarHBondContact OG-NH1 3.24Å; S796-R813 PolarHBondContact OG-NH2 2.79Å; S796-D991 VanDerWaalsContact CB-OD1 3.31Å; S796-D991 WeakPolarHBondContact CB-OD1 3.21Å; S796-D991 PolarHBondContact N-OD1 2.87Å; S796-D991 PolarHBondContact OG-OD1 3.24Å
797N89.4Confident77.8Confident4 Ų444.5 Ų44.52%0.02124%0.243CC..THydrogen-bonded Turntrans-100.611.5173.670.8-25.4000114.3P795 F799 D991 I992 L1009 G1010 L1011P795-N797 PolarHBondContact O-N 3.45Å; N797-F799 HydrophobicContact CB-CZ 4.46Å; N797-F799 WeakPolarHBondContact O-CD2 3Å; N797-F799 WeakPolarHBondContact O-CE2 3.47Å; N797-D991 PolarHBondContact N-OD1 3.44Å; N797-I992 PolarHBondContact ND2-O 2.72Å; N797-I992 PolarHBondContact OD1-N 2.85Å; N797-L1009 WeakPolarHBondContact CB-O 3.28Å; N797-L1009 PolarHBondContact ND2-O 2.65Å; N797-G1010 CarbonylContact O-C 3.5Å; N797-G1010 VanDerWaalsContact O-CA 3.3Å; N797-G1010 WeakPolarHBondContact O-CA 3.41Å; N797-L1011 PolarHBondContact O-N 3.43Å
798L89.5Confident78.8Confident9 Ų947.1 Ų47.15%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-94.5110.6170.7179.248000108.9V729 R794 P795 W980 I992 L1011V729-L798 HydrophobicContact CG1-CD2 4.41Å; V729-L798 HydrophobicContact CG2-CD1 4.27Å; V729-L798 HydrophobicContact CG2-CD2 4.2Å; V729-L798 HydrophobicContact CG2-CG 4.36Å; R794-L798 HydrophobicContact CG-CB 4.11Å; R794-L798 HydrophobicContact CG-CD2 3.93Å; R794-L798 HydrophobicContact CG-CG 4.13Å; R794-L798 PolarHBondContact NE-O 3.28Å; R794-L798 PolarHBondContact NH2-O 2.81Å; P795-L798 HydrophobicContact CB-CB 4.06Å; P795-L798 PolarHBondContact O-N 3.03Å; P795-L798 VanDerWaalsContact O-N 3.12Å; L798-W980 HydrophobicContact CD2-CH2 3.87Å; L798-W980 HydrophobicContact CD2-CZ2 4.02Å; L798-W980 HydrophobicContact CD2-CZ3 4.29Å; L798-I992 HydrophobicContact CB-CD1 3.87Å; L798-I992 HydrophobicContact CD1-CD1 4.43Å; L798-I992 HydrophobicContact CD2-CD1 4.21Å; L798-I992 HydrophobicContact CG-CD1 4.33Å; L798-L1011 CarbonylContact C-O 3.5Å; L798-L1011 WeakPolarHBondContact CA-O 3.46Å; L798-L1011 HydrophobicContact CD1-CB 3.9Å; L798-L1011 HydrophobicContact CD1-CD2 3.65Å; L798-L1011 HydrophobicContact CD1-CG 3.6Å; L798-L1011 WeakPolarHBondContact CD1-O 3.37Å
799F92.1Very high79.9Confident20 Ų2048.4 Ų48.49%0.08827%0.268CS..EExtended strand (participates in β ladder)trans-105.6134.3-173.2-54-63000112.7R794 N797 I810 L1011 F1012 Y1013R794-F799 PolarHBondContact NH2-O 2.92Å; N797-F799 HydrophobicContact CB-CZ 4.46Å; N797-F799 WeakPolarHBondContact O-CD2 3Å; N797-F799 WeakPolarHBondContact O-CE2 3.47Å; F799-I810 HydrophobicContact CB-CD1 3.93Å; F799-I810 HydrophobicContact CD1-CD1 3.85Å; F799-I810 HydrophobicContact CD1-CG1 3.7Å; F799-I810 HydrophobicContact CE1-CG1 4.06Å; F799-I810 HydrophobicContact CG-CD1 3.99Å; F799-I810 HydrophobicContact CG-CG1 4.26Å; F799-L1011 PolarHBondContact N-O 3.26Å; F799-F1012 HydrophobicContact CB-CD1 3.55Å; F799-F1012 HydrophobicContact CB-CE1 3.69Å; F799-F1012 HydrophobicContact CB-CG 4.14Å; F799-F1012 HydrophobicContact CB-CZ 4.36Å; F799-F1012 HydrophobicContact CD2-CD1 4.16Å; F799-F1012 HydrophobicContact CD2-CD2 4.17Å; F799-F1012 AromaticContact CD2-CE1 3.76Å; F799-F1012 HydrophobicContact CD2-CE1 3.76Å; F799-F1012 AromaticContact CD2-CE2 3.77Å; F799-F1012 HydrophobicContact CD2-CE2 3.77Å; F799-F1012 HydrophobicContact CD2-CG 4.34Å; F799-F1012 AromaticContact CD2-CZ 3.53Å; F799-F1012 HydrophobicContact CD2-CZ 3.53Å; F799-F1012 HydrophobicContact CE2-CE2 4.33Å; F799-F1012 HydrophobicContact CE2-CZ 4.12Å; F799-F1012 HydrophobicContact CG-CD1 4.23Å; F799-F1012 AromaticContact CG-CE1 3.92Å; F799-F1012 HydrophobicContact CG-CE1 3.92Å; F799-F1012 HydrophobicContact CG-CZ 4.15Å; F799-F1012 WeakPolarHBondContact O-CA 3.26Å; F799-Y1013 PolarHBondContact O-N 3.17Å
800V90.7Very high81.5Confident22 Ų2245.5 Ų45.513%0.13325%0.254CS..  trans-133121.3171.7149.90000105.2Y727 V729 R794 N802Y727-V800 VanDerWaalsContact O-CG1 3.24Å; Y727-V800 WeakPolarHBondContact O-CG1 3.37Å; V729-V800 HydrophobicContact CG2-CG2 3.81Å; R794-V800 VanDerWaalsContact NH1-CG2 3.28Å; R794-V800 VanDerWaalsContact NH2-CB 3.34Å; V800-N802 VanDerWaalsContact CG1-ND2 3.29Å; V800-N802 WeakPolarHBondContact CG1-ND2 3.42Å
801I93.2Very high83.3Confident0 Ų043.8 Ų43.80%024%0.242CC..  trans-111.3110.6-175.3-52.9179.1000107F668 L669 Y727 D806 V807 I810 F1012 F1014F668-I801 HydrophobicContact CB-CD1 4.46Å; F668-I801 HydrophobicContact CD1-CD1 3.93Å; L669-I801 HydrophobicContact CD1-CG2 3.99Å; L669-I801 HydrophobicContact CD2-CB 4.45Å; L669-I801 HydrophobicContact CD2-CG2 3.72Å; L669-I801 HydrophobicContact CG-CG2 3.96Å; Y727-I801 WeakPolarHBondContact CD2-O 3.46Å; I801-D806 HydrophobicContact CG2-CB 4.26Å; I801-V807 HydrophobicContact CD1-CG2 4.34Å; I801-V807 HydrophobicContact CG2-CG2 3.46Å; I801-V807 VanDerWaalsContact CG2-CG2 3.46Å; I801-I810 HydrophobicContact CD1-CD1 3.75Å; I801-I810 HydrophobicContact CG1-CD1 3.75Å; I801-F1012 HydrophobicContact CD1-CD1 4.03Å; I801-F1012 HydrophobicContact CD1-CE1 4.02Å; I801-F1014 HydrophobicContact CB-CE1 4.28Å; I801-F1014 HydrophobicContact CB-CZ 4.13Å; I801-F1014 HydrophobicContact CD1-CZ 4.14Å; I801-F1014 HydrophobicContact CG1-CZ 4.28Å
802N92Very high85.2Confident52 Ų5240.3 Ų40.328%0.27823%0.231SC..SBendtrans-109.7-24.8176.4-72.5-49.3000112.4Q726 Y727 V800 D806Q726-N802 WeakPolarHBondContact CA-OD1 3.44Å; Q726-N802 HydrophobicContact CG-CB 4.3Å; Y727-N802 PolarHBondContact N-OD1 3.16Å; Y727-N802 PolarHBondContact O-ND2 2.98Å; V800-N802 VanDerWaalsContact CG1-ND2 3.29Å; V800-N802 WeakPolarHBondContact CG1-ND2 3.42Å; N802-D806 PolarHBondContact N-OD2 3.35Å
803D90.2Very high87.2Confident51 Ų5136.1 Ų36.127%0.27320%0.2SC..SBendtrans-146.3165179.1179.132.9000109.8N651 N805 D806N651-D803 PolarHBondContact ND2-OD2 3.15Å; D803-N805 PolarHBondContact O-N 3.11Å; D803-N805 PolarHBondContact OD2-ND2 3.43Å; D803-D806 PolarHBondContact N-OD2 3.3Å; D803-D806 VanDerWaalsContact N-OD2 3.16Å; D803-D806 WeakPolarHBondContact O-CB 3.29Å; D803-D806 PolarHBondContact O-N 2.73Å
804I90Very high88.8Confident16 Ų1632.4 Ų32.48%0.08217%0.173CC..G310 helixtrans-59.6-29.8-177.5-161.5157.8000113.2I661 A665 Y666 D806 V807I661-I804 HydrophobicContact CD1-CG2 4.09Å; I661-I804 HydrophobicContact CG2-CD1 3.72Å; I661-I804 HydrophobicContact CG2-CG1 3.99Å; A665-I804 HydrophobicContact CB-CD1 3.93Å; A665-I804 HydrophobicContact CB-CG1 3.58Å; Y666-I804 HydrophobicContact CD1-CD1 3.31Å; Y666-I804 HydrophobicContact CD2-CD1 3.91Å; Y666-I804 HydrophobicContact CE1-CD1 3.16Å; Y666-I804 HydrophobicContact CE2-CD1 3.79Å; Y666-I804 HydrophobicContact CG-CD1 3.68Å; Y666-I804 VanDerWaalsContact CZ-CD1 3.4Å; I804-D806 VanDerWaalsContact C-N 3.25Å; I804-D806 PolarHBondContact O-N 2.84Å; I804-V807 VanDerWaalsContact O-CB 3.28Å; I804-V807 WeakPolarHBondContact O-CB 3.45Å; I804-V807 PolarHBondContact O-N 2.79Å
805N88.7Confident90Very high43 Ų4332.8 Ų32.823%0.2318%0.18CC..G310 helixtrans-67.6-24.8177.7-65.9-67.4000112.8N651 D803 V807 P809N651-N805 HydrophobicContact CB-CB 4.44Å; N651-N805 WeakPolarHBondContact CB-ND2 3.25Å; N651-N805 PolarHBondContact ND2-ND2 3.33Å; D803-N805 PolarHBondContact O-N 3.11Å; D803-N805 PolarHBondContact OD2-ND2 3.43Å; N805-V807 PolarHBondContact O-N 3.33Å; N805-P809 WeakPolarHBondContact O-CD 3.31Å
806D90.3Very high90.6Very high43 Ų4338 Ų3823%0.2321%0.208CC..G310 helixtrans-71.8-18.6173.7-61.9-44.3000111.6I801 N802 D803 I804 I810I801-D806 HydrophobicContact CG2-CB 4.26Å; N802-D806 PolarHBondContact N-OD2 3.35Å; D803-D806 PolarHBondContact N-OD2 3.3Å; D803-D806 VanDerWaalsContact N-OD2 3.16Å; D803-D806 WeakPolarHBondContact O-CB 3.29Å; D803-D806 PolarHBondContact O-N 2.73Å; I804-D806 VanDerWaalsContact C-N 3.25Å; I804-D806 PolarHBondContact O-N 2.84Å; D806-I810 VanDerWaalsContact O-CD1 3.3Å; D806-I810 WeakPolarHBondContact O-CD1 3.29Å; D806-I810 WeakPolarHBondContact O-CG1 3.31Å
807V93.1Very high90.9Very high0 Ų038.8 Ų38.80%021%0.206CC..THydrogen-bonded Turntrans-82.8-34.6-176.6-171.70000112.3A665 F668 L669 I801 I804 N805 I810 I811A665-V807 HydrophobicContact CB-CB 4.22Å; A665-V807 HydrophobicContact CB-CG1 4.1Å; F668-V807 HydrophobicContact CB-CG1 3.93Å; F668-V807 HydrophobicContact CB-CG2 3.96Å; F668-V807 HydrophobicContact CD1-CG1 4.22Å; F668-V807 HydrophobicContact CD2-CG1 3.41Å; F668-V807 VanDerWaalsContact CD2-CG1 3.41Å; F668-V807 HydrophobicContact CE2-CG1 3.92Å; F668-V807 HydrophobicContact CG-CG1 3.58Å; F668-V807 HydrophobicContact CG-CG2 4.45Å; L669-V807 HydrophobicContact CD1-CG2 4.46Å; I801-V807 HydrophobicContact CD1-CG2 4.34Å; I801-V807 HydrophobicContact CG2-CG2 3.46Å; I801-V807 VanDerWaalsContact CG2-CG2 3.46Å; I804-V807 VanDerWaalsContact O-CB 3.28Å; I804-V807 WeakPolarHBondContact O-CB 3.45Å; I804-V807 PolarHBondContact O-N 2.79Å; N805-V807 PolarHBondContact O-N 3.33Å; V807-I810 WeakPolarHBondContact O-CA 3.28Å; V807-I810 VanDerWaalsContact O-CB 3.31Å; V807-I810 WeakPolarHBondContact O-CB 3.37Å; V807-I810 PolarHBondContact O-N 3.17Å; V807-I811 HydrophobicContact CG1-CD1 3.8Å; V807-I811 HydrophobicContact CG1-CG1 4.02Å; V807-I811 PolarHBondContact O-N 3.07Å
808L90.3Very high90.9Very high56 Ų5638.9 Ų38.929%0.29321%0.207SC..Hα-helixtrans-58.1-46.5-174.3-61175000113.3I661 N662 A665 I810 I811 N812I661-L808 HydrophobicContact CG2-CD2 4.35Å; N662-L808 HydrophobicContact CB-CD2 4.49Å; A665-L808 HydrophobicContact CB-CD2 4.24Å; L808-I810 PolarHBondContact O-N 3.22Å; L808-I811 PolarHBondContact O-N 3.33Å; L808-N812 PolarHBondContact O-N 2.96Å; L808-N812 VanDerWaalsContact O-N 3.1Å
809P89.9Confident90.8Very high81 Ų8140.6 Ų40.653%0.52622%0.216SC..Hα-helixtrans-63.7-28.5175.6-20.634.1000113N805 R813N805-P809 WeakPolarHBondContact O-CD 3.31Å; P809-R813 VanDerWaalsContact O-CB 3.28Å; P809-R813 WeakPolarHBondContact O-CB 3.29Å; P809-R813 PolarHBondContact O-N 2.91Å
810I92.7Very high90.5Very high7 Ų742.1 Ų42.14%0.03623%0.227CC..Hα-helixtrans-71.6-45.6178.8-56.9174.9000109.8F799 I801 D806 V807 L808 N812 R813 I814 F1012F799-I810 HydrophobicContact CB-CD1 3.93Å; F799-I810 HydrophobicContact CD1-CD1 3.85Å; F799-I810 HydrophobicContact CD1-CG1 3.7Å; F799-I810 HydrophobicContact CE1-CG1 4.06Å; F799-I810 HydrophobicContact CG-CD1 3.99Å; F799-I810 HydrophobicContact CG-CG1 4.26Å; I801-I810 HydrophobicContact CD1-CD1 3.75Å; I801-I810 HydrophobicContact CG1-CD1 3.75Å; D806-I810 VanDerWaalsContact O-CD1 3.3Å; D806-I810 WeakPolarHBondContact O-CD1 3.29Å; D806-I810 WeakPolarHBondContact O-CG1 3.31Å; V807-I810 WeakPolarHBondContact O-CA 3.28Å; V807-I810 VanDerWaalsContact O-CB 3.31Å; V807-I810 WeakPolarHBondContact O-CB 3.37Å; V807-I810 PolarHBondContact O-N 3.17Å; L808-I810 PolarHBondContact O-N 3.22Å; I810-N812 PolarHBondContact O-N 3.49Å; I810-R813 PolarHBondContact O-N 2.88Å; I810-I814 HydrophobicContact CG2-CD1 3.94Å; I810-I814 VanDerWaalsContact O-CG1 3.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.2Å; I810-I814 PolarHBondContact O-N 2.78Å; I810-F1012 HydrophobicContact CD1-CE1 4.04Å; I810-F1012 HydrophobicContact CG2-CE1 3.98Å; I810-F1012 HydrophobicContact CG2-CZ 3.91Å
811I92.8Very high90Very high3 Ų344.3 Ų44.32%0.01524%0.238CC..Hα-helixtrans-58.9-47.9175.6-68.6170.2000110.3L664 A665 F668 V807 L808 R813 I814 N815L664-I811 HydrophobicContact CB-CD1 4.15Å; L664-I811 HydrophobicContact CD2-CD1 4.05Å; L664-I811 HydrophobicContact CD2-CG1 4.15Å; L664-I811 HydrophobicContact CD2-CG2 4.15Å; L664-I811 HydrophobicContact CG-CD1 3.96Å; L664-I811 HydrophobicContact CG-CG1 4.44Å; A665-I811 HydrophobicContact CB-CD1 4.06Å; F668-I811 HydrophobicContact CE2-CD1 4.39Å; F668-I811 HydrophobicContact CE2-CG1 4.13Å; V807-I811 HydrophobicContact CG1-CD1 3.8Å; V807-I811 HydrophobicContact CG1-CG1 4.02Å; V807-I811 PolarHBondContact O-N 3.07Å; L808-I811 PolarHBondContact O-N 3.33Å; I811-R813 VanDerWaalsContact C-N 3.33Å; I811-R813 PolarHBondContact O-N 2.87Å; I811-I814 PolarHBondContact O-N 3.44Å; I811-N815 PolarHBondContact O-N 3.13Å; I811-N815 PolarHBondContact O-ND2 3.2Å
812N91.7Very high89.5Confident90 Ų9046 Ų4648%0.48125%0.245SC..Hα-helixtrans-60.1-45.2177.7-66.5-9.2000110.9L808 I810 I814 N815 D816L808-N812 PolarHBondContact O-N 2.96Å; L808-N812 VanDerWaalsContact O-N 3.1Å; I810-N812 PolarHBondContact O-N 3.49Å; N812-I814 VanDerWaalsContact C-N 3.31Å; N812-I814 PolarHBondContact O-N 3.1Å; N812-N815 PolarHBondContact O-N 3.19Å; N812-D816 VanDerWaalsContact O-CB 3.25Å; N812-D816 WeakPolarHBondContact O-CB 3.42Å; N812-D816 PolarHBondContact O-N 3.43Å
813R91.7Very high88.7Confident52 Ų5248.1 Ų48.120%0.19626%0.257CS..Hα-helixtrans-62.4-36.2176.8-173.5165.5-179.2140-1.6113.1S796 P809 I810 I811 I817 Y818 D991S796-R813 PolarHBondContact O-NH1 2.97Å; S796-R813 PolarHBondContact OG-NH1 3.24Å; S796-R813 PolarHBondContact OG-NH2 2.79Å; P809-R813 VanDerWaalsContact O-CB 3.28Å; P809-R813 WeakPolarHBondContact O-CB 3.29Å; P809-R813 PolarHBondContact O-N 2.91Å; I810-R813 PolarHBondContact O-N 2.88Å; I811-R813 VanDerWaalsContact C-N 3.33Å; I811-R813 PolarHBondContact O-N 2.87Å; R813-I817 HydrophobicContact CG-CB 4.45Å; R813-I817 HydrophobicContact CG-CD1 4.11Å; R813-I817 HydrophobicContact CG-CG1 4.49Å; R813-I817 VanDerWaalsContact O-CB 3.31Å; R813-I817 WeakPolarHBondContact O-CB 3.42Å; R813-I817 PolarHBondContact O-N 3.2Å; R813-I817 VanDerWaalsContact O-N 3.07Å; R813-Y818 HydrophobicContact CG-CD2 4.27Å; R813-Y818 HydrophobicContact CG-CE2 3.69Å; R813-Y818 PolarHBondContact NE-OH 3.06Å; R813-Y818 PolarHBondContact O-N 3Å; R813-D991 IonicContact NH2-OD1 3.62Å; R813-D991 IonicContact NH2-OD2 3.96Å; R813-D991 PolarHBondContact NH2-OD2 3.38Å
814I91.7Very high87.6Confident0 Ų051.3 Ų51.30%027%0.27CS..Iπ-helixtrans-62.6-50.9173.4-70.5163.2000110.4F668 I810 I811 N812 Y818 L819 L926 A929 I931F668-I814 HydrophobicContact CZ-CD1 4.42Å; I810-I814 HydrophobicContact CG2-CD1 3.94Å; I810-I814 VanDerWaalsContact O-CG1 3.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.2Å; I810-I814 PolarHBondContact O-N 2.78Å; I811-I814 PolarHBondContact O-N 3.44Å; N812-I814 VanDerWaalsContact C-N 3.31Å; N812-I814 PolarHBondContact O-N 3.1Å; I814-Y818 HydrophobicContact CB-CD2 4.44Å; I814-Y818 HydrophobicContact CG1-CD2 3.93Å; I814-Y818 PolarHBondContact O-N 2.66Å; I814-Y818 VanDerWaalsContact O-N 3.17Å; I814-L819 HydrophobicContact CG2-CD1 4.29Å; I814-L819 HydrophobicContact CG2-CD2 4.45Å; I814-L819 HydrophobicContact CG2-CG 4Å; I814-L819 WeakPolarHBondContact O-CG 3.2Å; I814-L819 PolarHBondContact O-N 2.92Å; I814-L926 HydrophobicContact CD1-CD2 3.76Å; I814-A929 HydrophobicContact CD1-CB 4.14Å; I814-A929 HydrophobicContact CG2-CB 4.08Å; I814-I931 HydrophobicContact CG2-CD1 3.87Å; I814-I931 HydrophobicContact CG2-CG1 4.28Å
815N91Very high86.1Confident70 Ų7051.8 Ų51.837%0.37427%0.273SS..Iπ-helixtrans-68-41.4-176.7-66.6-20.9000113.2I811 N812 P820I811-N815 PolarHBondContact O-N 3.13Å; I811-N815 PolarHBondContact O-ND2 3.2Å; N812-N815 PolarHBondContact O-N 3.19Å; N815-P820 VanDerWaalsContact O-CD 3.28Å; N815-P820 WeakPolarHBondContact O-CD 3.41Å
816D90.8Very high84.5Confident118 Ų11855.3 Ų55.363%0.63129%0.289SS*.Iπ-helixtrans-89.4-26.4-169.8-60-21.9000112.8N812N812-D816 VanDerWaalsContact O-CB 3.25Å; N812-D816 WeakPolarHBondContact O-CB 3.42Å; N812-D816 PolarHBondContact O-N 3.43Å
817I87.6Confident82.6Confident78 Ų7857.6 Ų57.640%0.430%0.304SS..Iπ-helixtrans-118.6-56.7-174.1-55-174000110.8R813 L821R813-I817 HydrophobicContact CG-CB 4.45Å; R813-I817 HydrophobicContact CG-CD1 4.11Å; R813-I817 HydrophobicContact CG-CG1 4.49Å; R813-I817 VanDerWaalsContact O-CB 3.31Å; R813-I817 WeakPolarHBondContact O-CB 3.42Å; R813-I817 PolarHBondContact O-N 3.2Å; R813-I817 VanDerWaalsContact O-N 3.07Å; I817-L821 HydrophobicContact CG2-CD1 3.84Å; I817-L821 WeakPolarHBondContact O-CB 3.23Å; I817-L821 VanDerWaalsContact O-CD1 3.25Å; I817-L821 WeakPolarHBondContact O-CD1 3.4Å; I817-L821 WeakPolarHBondContact O-CG 3.43Å; I817-L821 PolarHBondContact O-N 2.86Å
818Y88.3Confident80.5Confident6 Ų663.1 Ų63.12%0.02433%0.332CS..Iπ-helixtrans-76.4-44.1-167.8-58.5-46.6000114.1R813 I814 L821 F822 F910 L1009R813-Y818 HydrophobicContact CG-CD2 4.27Å; R813-Y818 HydrophobicContact CG-CE2 3.69Å; R813-Y818 PolarHBondContact NE-OH 3.06Å; R813-Y818 PolarHBondContact O-N 3Å; I814-Y818 HydrophobicContact CB-CD2 4.44Å; I814-Y818 HydrophobicContact CG1-CD2 3.93Å; I814-Y818 PolarHBondContact O-N 2.66Å; I814-Y818 VanDerWaalsContact O-N 3.17Å; Y818-L821 HydrophobicContact CD1-CD1 4.39Å; Y818-L821 WeakPolarHBondContact O-CB 3.05Å; Y818-L821 PolarHBondContact O-N 2.97Å; Y818-F822 WeakPolarHBondContact O-CD2 3.41Å; Y818-F822 VanDerWaalsContact O-CE2 3.32Å; Y818-F822 WeakPolarHBondContact O-CE2 3.49Å; Y818-F822 WeakPolarHBondContact O-CG 3.45Å; Y818-F822 PolarHBondContact O-N 3.36Å; Y818-F910 AromaticContact CD2-CE1 3.86Å; Y818-F910 HydrophobicContact CD2-CE1 3.86Å; Y818-F910 AromaticContact CD2-CZ 3.48Å; Y818-F910 HydrophobicContact CD2-CZ 3.48Å; Y818-F910 VanDerWaalsContact CD2-CZ 3.48Å; Y818-F910 AromaticContact CE2-CE1 3.79Å; Y818-F910 HydrophobicContact CE2-CE1 3.79Å; Y818-F910 AromaticContact CE2-CZ 3.91Å; Y818-F910 HydrophobicContact CE2-CZ 3.91Å; Y818-F910 AromaticContact CG-CZ 3.84Å; Y818-F910 HydrophobicContact CG-CZ 3.84Å; Y818-L1009 HydrophobicContact CD1-CD1 3.92Å; Y818-L1009 HydrophobicContact CD1-CD2 3.93Å; Y818-L1009 HydrophobicContact CD1-CG 3.87Å; Y818-L1009 HydrophobicContact CE1-CD1 3.79Å; Y818-L1009 HydrophobicContact CE1-CD2 4.36Å; Y818-L1009 HydrophobicContact CE1-CG 3.79Å; Y818-L1009 HydrophobicContact CG-CD2 4.31Å; Y818-L1009 PolarHBondContact OH-O 3.46Å
819L87.9Confident78.4Confident45 Ų4563.1 Ų63.124%0.23634%0.335CS..Hα-helixtrans-61.8-48178.6-66.1178.8000112.4I814 L821 F822 D823 I931I814-L819 HydrophobicContact CG2-CD1 4.29Å; I814-L819 HydrophobicContact CG2-CD2 4.45Å; I814-L819 HydrophobicContact CG2-CG 4Å; I814-L819 WeakPolarHBondContact O-CG 3.2Å; I814-L819 PolarHBondContact O-N 2.92Å; L819-L821 VanDerWaalsContact C-N 3.29Å; L819-L821 PolarHBondContact O-N 3.06Å; L819-F822 HydrophobicContact CD2-CD2 4.33Å; L819-F822 WeakPolarHBondContact O-CB 3.16Å; L819-F822 PolarHBondContact O-N 2.96Å; L819-D823 PolarHBondContact O-N 2.76Å; L819-D823 VanDerWaalsContact O-N 3.16Å; L819-I931 HydrophobicContact CD2-CD1 4Å
820P86.2Confident76.1Confident51 Ų5163.7 Ų63.733%0.33134%0.341SS..Hα-helixtrans-59.2-37.6176-25.835.6000113.4N815 F822 D823 E824N815-P820 VanDerWaalsContact O-CD 3.28Å; N815-P820 WeakPolarHBondContact O-CD 3.41Å; P820-F822 PolarHBondContact O-N 2.74Å; P820-D823 PolarHBondContact O-N 3.26Å; P820-E824 PolarHBondContact O-N 3.13Å
821L80.9Confident73.3Confident69 Ų6971.4 Ų71.436%0.36138%0.377SS..Hα-helixtrans-61.1-32.5175.5-75.4168.4000112.2I817 Y818 L819 V825I817-L821 HydrophobicContact CG2-CD1 3.84Å; I817-L821 WeakPolarHBondContact O-CB 3.23Å; I817-L821 VanDerWaalsContact O-CD1 3.25Å; I817-L821 WeakPolarHBondContact O-CD1 3.4Å; I817-L821 WeakPolarHBondContact O-CG 3.43Å; I817-L821 PolarHBondContact O-N 2.86Å; Y818-L821 HydrophobicContact CD1-CD1 4.39Å; Y818-L821 WeakPolarHBondContact O-CB 3.05Å; Y818-L821 PolarHBondContact O-N 2.97Å; L819-L821 VanDerWaalsContact C-N 3.29Å; L819-L821 PolarHBondContact O-N 3.06Å; L821-V825 VanDerWaalsContact O-CG2 3.23Å; L821-V825 WeakPolarHBondContact O-CG2 3.49Å; L821-V825 PolarHBondContact O-N 2.92Å
822F81.4Confident70.4Confident35 Ų3577.8 Ų77.815%0.15441%0.411CS..Hα-helixtrans-76.2-35.5176.7-56.9-42.3000112.4Y818 L819 P820 V825 Q826 F910 I931 L1009Y818-F822 WeakPolarHBondContact O-CD2 3.41Å; Y818-F822 VanDerWaalsContact O-CE2 3.32Å; Y818-F822 WeakPolarHBondContact O-CE2 3.49Å; Y818-F822 WeakPolarHBondContact O-CG 3.45Å; Y818-F822 PolarHBondContact O-N 3.36Å; L819-F822 HydrophobicContact CD2-CD2 4.33Å; L819-F822 WeakPolarHBondContact O-CB 3.16Å; L819-F822 PolarHBondContact O-N 2.96Å; P820-F822 PolarHBondContact O-N 2.74Å; F822-V825 PolarHBondContact O-N 3.47Å; F822-Q826 PolarHBondContact O-N 3.1Å; F822-F910 HydrophobicContact CE2-CE2 4.43Å; F822-F910 HydrophobicContact CZ-CE2 4.13Å; F822-I931 HydrophobicContact CE2-CD1 3.75Å; F822-L1009 HydrophobicContact CE1-CD2 3.87Å; F822-L1009 HydrophobicContact CZ-CD2 3.46Å; F822-L1009 VanDerWaalsContact CZ-CD2 3.46Å
823D74.8Confident67.4Low97 Ų9784.5 Ų84.552%0.51943%0.43SS..Hα-helixtrans-68-40.7176.6-67.4-25.9000112.1L819 P820 V825 Q826 T827L819-D823 PolarHBondContact O-N 2.76Å; L819-D823 VanDerWaalsContact O-N 3.16Å; P820-D823 PolarHBondContact O-N 3.26Å; D823-V825 VanDerWaalsContact C-N 3.28Å; D823-V825 PolarHBondContact O-N 2.8Å; D823-Q826 PolarHBondContact O-N 3.33Å; D823-T827 PolarHBondContact O-N 3.26Å; D823-T827 PolarHBondContact O-OG1 3.16Å
824E67.7Low64.3Low117 Ų11787.5 Ų87.555%0.54745%0.454SS..Hα-helixtrans-59.7-39.7172.9-75.6-177.1179.600111.5P820 T827 I828P820-E824 PolarHBondContact O-N 3.13Å; E824-T827 WeakPolarHBondContact CA-OG1 3.44Å; E824-T827 PolarHBondContact O-N 3.29Å; E824-T827 PolarHBondContact O-OG1 3.44Å; E824-I828 WeakPolarHBondContact O-CD1 3.42Å; E824-I828 WeakPolarHBondContact O-CG1 3.44Å; E824-I828 PolarHBondContact O-N 3.38Å; E824-I828 VanDerWaalsContact O-N 3.07Å
825V58.6Low61.1Low26 Ų2694.9 Ų94.916%0.15849%0.492CS..Hα-helixtrans-72.6-39.1178.4172.70000111.6L821 F822 D823 T827 I828 T829 V906L821-V825 VanDerWaalsContact O-CG2 3.23Å; L821-V825 WeakPolarHBondContact O-CG2 3.49Å; L821-V825 PolarHBondContact O-N 2.92Å; F822-V825 PolarHBondContact O-N 3.47Å; D823-V825 VanDerWaalsContact C-N 3.28Å; D823-V825 PolarHBondContact O-N 2.8Å; V825-T827 VanDerWaalsContact C-N 3.3Å; V825-T827 PolarHBondContact O-N 3.33Å; V825-I828 PolarHBondContact O-N 3.43Å; V825-T829 HydrophobicContact CG1-CG2 4.11Å; V825-T829 WeakPolarHBondContact O-CB 3.39Å; V825-T829 WeakPolarHBondContact O-CG2 3.22Å; V825-T829 PolarHBondContact O-N 3.39Å; V825-T829 PolarHBondContact O-OG1 3.04Å; V825-V906 HydrophobicContact CB-CG2 4.44Å; V825-V906 HydrophobicContact CG1-CB 4.25Å; V825-V906 HydrophobicContact CG1-CG1 3.78Å; V825-V906 HydrophobicContact CG1-CG2 3.56Å; V825-V906 HydrophobicContact CG2-CG2 3.94Å
826Q55.9Low58Low118 Ų11896 Ų9655%0.55151%0.505SS*.Hα-helixtrans-62.6-37.9174.5-76.6-170.810.900111.8F822 D823 T829 S830F822-Q826 PolarHBondContact O-N 3.1Å; D823-Q826 PolarHBondContact O-N 3.33Å; Q826-T829 WeakPolarHBondContact CA-OG1 3.4Å; Q826-T829 PolarHBondContact O-OG1 3.33Å; Q826-S830 WeakPolarHBondContact O-CB 3.34Å; Q826-S830 PolarHBondContact O-N 2.6Å
827T50.1Low55Low91 Ų9199 Ų9956%0.55851%0.513SS*.Hα-helixtrans-67.6-41.5175.945.90000112.1D823 E824 V825 S830D823-T827 PolarHBondContact O-N 3.26Å; D823-T827 PolarHBondContact O-OG1 3.16Å; E824-T827 WeakPolarHBondContact CA-OG1 3.44Å; E824-T827 PolarHBondContact O-N 3.29Å; E824-T827 PolarHBondContact O-OG1 3.44Å; V825-T827 VanDerWaalsContact C-N 3.3Å; V825-T827 PolarHBondContact O-N 3.33Å; T827-S830 PolarHBondContact O-N 3.4Å; T827-S830 PolarHBondContact O-OG 2.69Å
828I47.9Very low51.9Low115 Ų115103.4 Ų103.459%0.5953%0.532SS*.Hα-helixtrans-68.1-39.7175.8-64.5162.6000112E824 V825 E831E824-I828 WeakPolarHBondContact O-CD1 3.42Å; E824-I828 WeakPolarHBondContact O-CG1 3.44Å; E824-I828 PolarHBondContact O-N 3.38Å; E824-I828 VanDerWaalsContact O-N 3.07Å; V825-I828 PolarHBondContact O-N 3.43Å; I828-E831 PolarHBondContact O-N 2.89Å
829T46.6Very low49Very low57 Ų57109.4 Ų109.435%0.3557%0.569SS.*Hα-helixtrans-78.2-18.7-179.854.20000113.2V825 Q826 E831 N832V825-T829 HydrophobicContact CG1-CG2 4.11Å; V825-T829 WeakPolarHBondContact O-CB 3.39Å; V825-T829 WeakPolarHBondContact O-CG2 3.22Å; V825-T829 PolarHBondContact O-N 3.39Å; V825-T829 PolarHBondContact O-OG1 3.04Å; Q826-T829 WeakPolarHBondContact CA-OG1 3.4Å; Q826-T829 PolarHBondContact O-OG1 3.33Å; T829-E831 PolarHBondContact O-N 2.86Å; T829-N832 CarbonylContact O-C 3.59Å; T829-N832 VanDerWaalsContact O-C 3.26Å; T829-N832 PolarHBondContact O-N 3.47Å
830S42.3Very low45.9Very low92 Ų92114 Ų11464%0.64359%0.589SS**THydrogen-bonded Turntrans-63.2-21.2171.475.10000113.4Q826 T827Q826-S830 WeakPolarHBondContact O-CB 3.34Å; Q826-S830 PolarHBondContact O-N 2.6Å; T827-S830 PolarHBondContact O-N 3.4Å; T827-S830 PolarHBondContact O-OG 2.69Å
831E34.1Very low43.1Very low170 Ų170117.2 Ų117.279%0.79461%0.613SS**THydrogen-bonded Turntrans-83.8-17.7171.2-65.9-167.9159.900113.5I828 T829I828-E831 PolarHBondContact O-N 2.89Å; T829-E831 PolarHBondContact O-N 2.86Å
832N30.8Very low40.5Very low137 Ų137117.7 Ų117.773%0.73362%0.622SS**SBendtrans-127.592-179.9-76.3-36.8000111.9T829T829-N832 CarbonylContact O-C 3.59Å; T829-N832 VanDerWaalsContact O-C 3.26Å; T829-N832 PolarHBondContact O-N 3.47Å
833R30.1Very low37.9Very low231 Ų231121.3 Ų121.387%0.87264%0.643SS**  trans-49.8126.8-178.8-88.3-176.5177.5179.8-1.2116.4
834T26.1Very low35.7Very low114 Ų114121.2 Ų121.270%0.69966%0.656SS**  trans53.3108.8133.149.40000120.9
835L25.1Very low33.8Very low155 Ų155124.6 Ų124.681%0.81267%0.672SS**  trans-130.380.9143-99.4150.7000108.3F837L835-F837 HydrophobicContact CD2-CE2 4.25Å; L835-F837 HydrophobicContact CD2-CZ 4.35Å
836S25.5Very low32.3Very low93 Ų93133.9 Ų133.965%0.6570%0.704SS**  trans-83.5106.8169.242.90000108.7E838S836-E838 PolarHBondContact O-N 2.99Å
837F27.1Very low30.8Very low181 Ų181136.8 Ų136.879%0.79472%0.717SS**  trans-74.998.3166.7-74.4-88.4000108.7L835 V839L835-F837 HydrophobicContact CD2-CE2 4.25Å; L835-F837 HydrophobicContact CD2-CZ 4.35Å; F837-V839 PolarHBondContact O-N 2.87Å
838E22.7Very low29.8Very low171 Ų171140 Ų14080%0.79973%0.73SS**  trans-75.3111.1162.3-72.8-178.2163.100107.9S836 E840S836-E838 PolarHBondContact O-N 2.99Å; E838-E840 PolarHBondContact O-N 2.93Å
839V26.3Very low28.8Very low132 Ų132142.1 Ų142.180%0.874%0.743SS**  trans-76.6104.3163.4176.60000105.9F837 S841F837-V839 PolarHBondContact O-N 2.87Å; V839-S841 VanDerWaalsContact C-N 3.3Å; V839-S841 PolarHBondContact O-N 2.85Å
840E23.2Very low27.8Very low142 Ų142144 Ų14466%0.66476%0.758SS**  trans-60.888.1173.8-72-176.5161.400110.5E838 S842E838-E840 PolarHBondContact O-N 2.93Å; E840-S842 PolarHBondContact O-N 2.73Å
841S28Very low27Very low119 Ų119148.7 Ų148.783%0.83277%0.77SS**THydrogen-bonded Turntrans-76.269.8162.160.60000109.2V839V839-S841 VanDerWaalsContact C-N 3.3Å; V839-S841 PolarHBondContact O-N 2.85Å
842S26.3Very low26.7Very low79 Ų79148.4 Ų148.455%0.55277%0.774SS**THydrogen-bonded Turntrans-150.56.7172.260.10000116.3E840E840-S842 PolarHBondContact O-N 2.73Å
843N27Very low26.4Very low110 Ų110149 Ų14959%0.58878%0.777SS**SBendtrans-108.31.4179.6-75.9-21.1000115.9
844A28.7Very low26.3Very low95 Ų95147.5 Ų147.579%0.78578%0.78SS**SBendtrans-82.7-19.7175.500000114.2
845E26.6Very low26.2Very low188 Ų188149 Ų14988%0.87978%0.782SS**SBendtrans-991.6-175.6-76.9-176.3171.900115.1
846R27.6Very low26.2Very low221 Ų221147.9 Ų147.983%0.83478%0.777SS**SBendtrans-119.26.2-176.7-75-170.5178.6178.62116.9
847Q25.9Very low26.1Very low179 Ų179150.9 Ų150.984%0.83678%0.781SS**SBendtrans-107.89.5175.5-80.3-173.2-12.100115.3
848L27.4Very low25.9Very low158 Ų158150.2 Ų150.283%0.82778%0.78SS**SBendtrans-97.74175.1-88159.2000115.1
849N27.2Very low26.3Very low161 Ų161151.7 Ų151.786%0.86178%0.784SS**SBendtrans-127.757.2179.3-80.5-25000112.8
850S27Very low26.1Very low96 Ų96153.9 Ų153.967%0.67179%0.786SS**SBendtrans-175.884.5155.355.30000110.4
851E25.2Very low26.3Very low190 Ų190154.1 Ų154.189%0.88879%0.79SS**  trans179.364.1153.4-102168.7-155.300108.8
852N26.5Very low26.1Very low165 Ų165153 Ų15388%0.88278%0.782SS**  trans-132.261.8166-89-33.6000108.1
853D25.3Very low26Very low149 Ų149157.1 Ų157.180%0.79779%0.793SS**  trans-143.676.3166-90-32.5000108.3
854Q26.8Very low25.8Very low200 Ų200159.8 Ų159.894%0.93580%0.801SS**  trans-158.293147.8-111162.957.300110.7
855I24.8Very low25.8Very low144 Ų144163.2 Ų163.274%0.73881%0.807SS**  trans-59.5132.6159.7-65.7161.8000108.8
856N24.6Very low25.7Very low133 Ų133159.3 Ų159.371%0.71180%0.8SS**  trans162.8140.7142.2-87.3-7.2000108.2
857E23.1Very low25.5Very low156 Ų156156.2 Ų156.273%0.72980%0.8SS**  cis-173.3152.5-14.6-127175.9177.600103
858E23.9Very low25.5Very low167 Ų167156.2 Ų156.278%0.7880%0.797SS**  trans70.6101.9162.1-59.5-177.5166.200120.1
859K30.9Very low25.3Very low201 Ų201159.2 Ų159.287%0.87480%0.803SS**  -172.5117.396.1-98.5167.5-173.9173.50112
860Q23.1Very low25.1Very low179 Ų179158.5 Ų158.584%0.83680%0.795SS**  trans-63.9148.3165.6-64.1170.6-13.700110.9
861I25.9Very low25.1Very low147 Ų147156.7 Ų156.775%0.75479%0.792SS**  160.6109.5117.1-79.8167.1000110
862S24Very low24.9Very low94 Ų94157 Ų15766%0.65779%0.793SS**  trans75.7109.7136.2-56.60000123.2
863Q23.9Very low24.9Very low167 Ų167158.6 Ų158.678%0.7879%0.788SS**  83.4118.2119.1-72.2-178.32.700120.6
864Q23.9Very low25.1Very low165 Ų165159.7 Ų159.777%0.77179%0.789SS**  trans76.398.1146.1-64.5178.71.200117.7
865N29.2Very low25.2Very low168 Ų168159.8 Ų159.890%0.89879%0.789SS**  -158.8124.1116.9-93.1-30.8000111.6
866S23.2Very low25.9Very low105 Ų105158.5 Ų158.573%0.73478%0.783SS**  trans-67.6150.2178.3-7.60000112
867N23.1Very low27.2Very low156 Ų156156.9 Ų156.983%0.83477%0.771SS**  trans71.178.5157.7-60.6-12.4000118.8
868K26.7Very low29.2Very low180 Ų180153 Ų15378%0.78376%0.759SS**  trans-142.198136.2-77.5-168.4178.6176.20109.8Q870K868-Q870 PolarHBondContact O-N 2.91Å
869K23.1Very low31.5Very low220 Ų220148.7 Ų148.796%0.95774%0.739SS**  trans-69.983.7153.1-79.7-175.8174.9-176.60106.5
870Q23.4Very low33.7Very low146 Ų146145.4 Ų145.468%0.68273%0.726SS**  trans-98111.4155.6-85.9177.2-30.900105.2K868K868-Q870 PolarHBondContact O-N 2.91Å
871G26Very low36.3Very low59 Ų59141.3 Ų141.361%0.60871%0.707SS**  trans-54.8147.2172.800000110.1Y873G871-Y873 PolarHBondContact O-N 2.76Å; G871-Y873 VanDerWaalsContact O-N 3.12Å
872Q21.4Very low38.8Very low197 Ų197137.6 Ų137.692%0.92169%0.689SS**  trans-48.1112176.8-69.1155.6-40.300110E874Q872-E874 PolarHBondContact O-N 3.19Å
873Y26.7Very low41.7Very low198 Ų198135.2 Ų135.278%0.77667%0.666SS**  trans-78.1108.2161.4-81-89.2000106.6G871G871-Y873 PolarHBondContact O-N 2.76Å; G871-Y873 VanDerWaalsContact O-N 3.12Å
874E28.7Very low44.7Very low172 Ų172129.9 Ų129.980%0.80465%0.647SS**  trans-54.7143.7161.5-70179.7157.100109.2Q872 N876Q872-E874 PolarHBondContact O-N 3.19Å; E874-N876 VanDerWaalsContact C-N 3.34Å; E874-N876 PolarHBondContact O-N 3.07Å
875H29.1Very low47.7Very low201 Ų201126.4 Ų126.493%0.93163%0.631SS**  trans-59.387.7-177.4-83-79.6000111.5E877H875-E877 PolarHBondContact O-N 3.44Å
876N40.9Very low50.5Low118 Ų118119.6 Ų119.663%0.63160%0.597SS**PPolyproline II helixtrans-72.8119167.1-75.4-34000108.5E874 T878E874-N876 VanDerWaalsContact C-N 3.34Å; E874-N876 PolarHBondContact O-N 3.07Å; N876-T878 PolarHBondContact O-N 2.63Å
877E50.8Low53.7Low98 Ų98115.5 Ų115.546%0.45857%0.567SS.*PPolyproline II helixtrans-48.3132.6161.9-70.8-178.714000108.7H875 L882 Q885H875-E877 PolarHBondContact O-N 3.44Å; E877-L882 HydrophobicContact CB-CG 4.37Å; E877-L882 VanDerWaalsContact OE2-CD2 3.28Å; E877-L882 WeakPolarHBondContact OE2-CD2 3.5Å; E877-Q885 PolarHBondContact OE1-NE2 3.19Å
878T66.4Low56.8Low76 Ų76113.7 Ų113.747%0.46655%0.553SS.*PPolyproline II helixtrans-67.9149.6178.950.20000109.7N876 E880 Q881 L882N876-T878 PolarHBondContact O-N 2.63Å; T878-E880 PolarHBondContact O-N 3.25Å; T878-E880 VanDerWaalsContact O-N 3.11Å; T878-Q881 VanDerWaalsContact N-OE1 3.14Å; T878-Q881 WeakPolarHBondContact O-CA 3.37Å; T878-Q881 WeakPolarHBondContact O-CB 3.42Å; T878-Q881 PolarHBondContact O-N 3.24Å; T878-Q881 VanDerWaalsContact OG1-CD 3.29Å; T878-Q881 VanDerWaalsContact OG1-CG 3.29Å; T878-Q881 WeakPolarHBondContact OG1-CG 3.37Å; T878-L882 PolarHBondContact O-N 2.7Å
879E70.9Confident59.6Low76 Ų76110 Ų11036%0.35554%0.541SS..Hα-helixtrans-53.9-35.1-178.6-172.5179.7149.500112.5L882 K883E879-L882 PolarHBondContact O-N 3.46Å; E879-K883 WeakPolarHBondContact O-CG 3.43Å; E879-K883 PolarHBondContact O-N 3.48Å; E879-K883 WeakPolarHBondContact OE1-CE 3.43Å; E879-K883 IonicContact OE1-NZ 3.42Å; E879-K883 PolarHBondContact OE1-NZ 3.24Å
880E76.9Confident62.7Low132 Ų13299.7 Ų99.762%0.61750%0.497SS*.Hα-helixtrans-64-36173.7-68.6173.6-171.300113.7T878 K883 S884T878-E880 PolarHBondContact O-N 3.25Å; T878-E880 VanDerWaalsContact O-N 3.11Å; E880-K883 PolarHBondContact O-N 2.81Å; E880-S884 WeakPolarHBondContact O-CB 3.29Å; E880-S884 PolarHBondContact O-N 2.81Å; E880-S884 PolarHBondContact O-OG 2.96Å
881Q77.6Confident65.7Low92 Ų9294.3 Ų94.343%0.4347%0.472SS..Hα-helixtrans-65.2-44.4175.9-73.7170.4-10.500110.5T878 S884 Q885T878-Q881 VanDerWaalsContact N-OE1 3.14Å; T878-Q881 WeakPolarHBondContact O-CA 3.37Å; T878-Q881 WeakPolarHBondContact O-CB 3.42Å; T878-Q881 PolarHBondContact O-N 3.24Å; T878-Q881 VanDerWaalsContact OG1-CD 3.29Å; T878-Q881 VanDerWaalsContact OG1-CG 3.29Å; T878-Q881 WeakPolarHBondContact OG1-CG 3.37Å; Q881-S884 WeakPolarHBondContact CA-OG 3.24Å; Q881-S884 PolarHBondContact O-N 3.47Å; Q881-S884 PolarHBondContact O-OG 2.89Å; Q881-Q885 WeakPolarHBondContact O-CB 3.34Å; Q881-Q885 VanDerWaalsContact O-CG 3.28Å; Q881-Q885 WeakPolarHBondContact O-CG 3.24Å; Q881-Q885 PolarHBondContact O-N 3.12Å
882L78.7Confident68.3Low70 Ų7097.9 Ų97.937%0.36647%0.472SS..Hα-helixtrans-63.7-43.2176.3-71.7169.7000112.2E877 T878 E879 S886E877-L882 HydrophobicContact CB-CG 4.37Å; E877-L882 VanDerWaalsContact OE2-CD2 3.28Å; E877-L882 WeakPolarHBondContact OE2-CD2 3.5Å; T878-L882 PolarHBondContact O-N 2.7Å; E879-L882 PolarHBondContact O-N 3.46Å; L882-S886 WeakPolarHBondContact O-CB 3.41Å; L882-S886 PolarHBondContact O-N 3.39Å
883K86.1Confident71.3Confident44 Ų4491.2 Ų91.219%0.19145%0.445CS..Hα-helixtrans-60.7-47.1176-71.9178.8-178.91680111.5E879 E880 S886 N887 Y973E879-K883 WeakPolarHBondContact O-CG 3.43Å; E879-K883 PolarHBondContact O-N 3.48Å; E879-K883 WeakPolarHBondContact OE1-CE 3.43Å; E879-K883 IonicContact OE1-NZ 3.42Å; E879-K883 PolarHBondContact OE1-NZ 3.24Å; E880-K883 PolarHBondContact O-N 2.81Å; K883-S886 PolarHBondContact O-N 3.31Å; K883-N887 PolarHBondContact O-N 3.28Å; K883-Y973 HydrophobicContact CB-CD2 3.93Å; K883-Y973 HydrophobicContact CB-CG 4.08Å; K883-Y973 HydrophobicContact CD-CD1 4.23Å; K883-Y973 HydrophobicContact CD-CG 4.19Å; K883-Y973 HydrophobicContact CG-CD1 3.94Å; K883-Y973 HydrophobicContact CG-CD2 3.78Å; K883-Y973 HydrophobicContact CG-CE1 4.28Å; K883-Y973 HydrophobicContact CG-CE2 4.14Å; K883-Y973 HydrophobicContact CG-CG 3.65Å
884S85.6Confident73.9Confident54 Ų5483.6 Ų83.638%0.37842%0.416SS..Hα-helixtrans-66.5-41.5-179.459.70000113.1E880 Q881 N887 Q888E880-S884 WeakPolarHBondContact O-CB 3.29Å; E880-S884 PolarHBondContact O-N 2.81Å; E880-S884 PolarHBondContact O-OG 2.96Å; Q881-S884 WeakPolarHBondContact CA-OG 3.24Å; Q881-S884 PolarHBondContact O-N 3.47Å; Q881-S884 PolarHBondContact O-OG 2.89Å; S884-N887 PolarHBondContact O-N 3.22Å; S884-Q888 VanDerWaalsContact O-CG 3.29Å; S884-Q888 WeakPolarHBondContact O-CG 3.28Å; S884-Q888 PolarHBondContact O-N 2.93Å
885Q87.2Confident75.9Confident92 Ų9279.1 Ų79.143%0.4340%0.404SS..Hα-helixtrans-60.4-45.4173.1-74176.19.900111.6E877 Q881 N887 Q888 L889E877-Q885 PolarHBondContact OE1-NE2 3.19Å; Q881-Q885 WeakPolarHBondContact O-CB 3.34Å; Q881-Q885 VanDerWaalsContact O-CG 3.28Å; Q881-Q885 WeakPolarHBondContact O-CG 3.24Å; Q881-Q885 PolarHBondContact O-N 3.12Å; Q885-N887 PolarHBondContact O-N 2.97Å; Q885-Q888 PolarHBondContact O-N 3.44Å; Q885-L889 PolarHBondContact O-N 3.12Å
886S88.5Confident77.1Confident25 Ų2576 Ų7618%0.17539%0.394CS..Hα-helixtrans-61.6-43.6178.4-1590000111.9L882 K883 L889 L890 I971L882-S886 WeakPolarHBondContact O-CB 3.41Å; L882-S886 PolarHBondContact O-N 3.39Å; K883-S886 PolarHBondContact O-N 3.31Å; S886-L889 PolarHBondContact O-N 3.33Å; S886-L890 WeakPolarHBondContact O-CG 2.96Å; S886-L890 PolarHBondContact O-N 3.42Å; S886-L890 VanDerWaalsContact O-N 3.08Å; S886-I971 PolarHBondContact OG-O 2.92Å
887N90.9Very high77.4Confident20 Ų2077.8 Ų77.811%0.10740%0.398CS..Hα-helixtrans-66.1-38.4177.6-73.20.6000112.6K883 S884 Q885 L890 H891 Y973 F975K883-N887 PolarHBondContact O-N 3.28Å; S884-N887 PolarHBondContact O-N 3.22Å; Q885-N887 PolarHBondContact O-N 2.97Å; N887-L890 PolarHBondContact O-N 2.81Å; N887-H891 PolarHBondContact O-CD2 3.46Å; N887-H891 VanDerWaalsContact O-CD2 3.25Å; N887-H891 PolarHBondContact O-N 2.83Å; N887-Y973 PolarHBondContact ND2-O 3.39Å; N887-Y973 PolarHBondContact OD1-N 2.69Å; N887-Y973 PolarHBondContact OD1-O 2.76Å; N887-F975 HydrophobicContact CB-CE2 4.26Å; N887-F975 HydrophobicContact CB-CZ 4.38Å; N887-F975 WeakPolarHBondContact OD1-CE2 3.43Å
888Q87.1Confident77Confident117 Ų11781.1 Ų81.155%0.54742%0.42SS..Hα-helixtrans-61.7-47.9174.5-75.3173.111.300111.3S884 Q885 L890 H891 E892S884-Q888 VanDerWaalsContact O-CG 3.29Å; S884-Q888 WeakPolarHBondContact O-CG 3.28Å; S884-Q888 PolarHBondContact O-N 2.93Å; Q885-Q888 PolarHBondContact O-N 3.44Å; Q888-L890 VanDerWaalsContact C-N 3.28Å; Q888-L890 PolarHBondContact O-N 3.18Å; Q888-H891 PolarHBondContact O-N 3.09Å; Q888-H891 VanDerWaalsContact O-N 3.11Å; Q888-E892 WeakPolarHBondContact O-CG 3.43Å; Q888-E892 PolarHBondContact O-N 2.97Å
889L86.3Confident75.8Confident103 Ų10381.9 Ų81.954%0.53943%0.434SS..Hα-helixtrans-58.6-39.1177.1-178.964.8000112.2Q885 S886 E892 T893Q885-L889 PolarHBondContact O-N 3.12Å; S886-L889 PolarHBondContact O-N 3.33Å; L889-E892 PolarHBondContact O-N 2.94Å; L889-T893 WeakPolarHBondContact O-CB 3.34Å; L889-T893 PolarHBondContact O-N 3.31Å; L889-T893 PolarHBondContact O-OG1 3.14Å
890L87.4Confident74.3Confident3 Ų381.6 Ų81.62%0.01643%0.434CS..Hα-helixtrans-63.4-46.5174.5-73.7177.9000112S886 N887 Q888 E892 T893 F894 I937 I939 R970 F975 L1004S886-L890 WeakPolarHBondContact O-CG 2.96Å; S886-L890 PolarHBondContact O-N 3.42Å; S886-L890 VanDerWaalsContact O-N 3.08Å; N887-L890 PolarHBondContact O-N 2.81Å; Q888-L890 VanDerWaalsContact C-N 3.28Å; Q888-L890 PolarHBondContact O-N 3.18Å; L890-E892 PolarHBondContact O-N 3.25Å; L890-T893 PolarHBondContact O-N 3.04Å; L890-F894 HydrophobicContact CD2-CE2 4.08Å; L890-F894 VanDerWaalsContact O-CD2 3.25Å; L890-F894 WeakPolarHBondContact O-CD2 3.4Å; L890-F894 PolarHBondContact O-N 3Å; L890-F894 VanDerWaalsContact O-N 3.12Å; L890-I937 HydrophobicContact CD1-CD1 4.46Å; L890-I937 HydrophobicContact CD2-CD1 3.5Å; L890-I937 VanDerWaalsContact CD2-CD1 3.5Å; L890-I939 HydrophobicContact CD1-CD1 4.44Å; L890-R970 HydrophobicContact CD2-CB 4.03Å; L890-F975 HydrophobicContact CD1-CE2 4.32Å; L890-L1004 HydrophobicContact CB-CD1 4.46Å; L890-L1004 HydrophobicContact CB-CD2 4.21Å; L890-L1004 HydrophobicContact CD1-CD2 4.34Å
891H85.6Confident72.6Confident34 Ų3481.8 Ų81.816%0.15744%0.439CS..Hα-helixtrans-61.2-44.1176.3-82.4-67.8000111.7N887 Q888 T893 F894 S895 F975N887-H891 PolarHBondContact O-CD2 3.46Å; N887-H891 VanDerWaalsContact O-CD2 3.25Å; N887-H891 PolarHBondContact O-N 2.83Å; Q888-H891 PolarHBondContact O-N 3.09Å; Q888-H891 VanDerWaalsContact O-N 3.11Å; H891-T893 VanDerWaalsContact C-N 3.29Å; H891-T893 PolarHBondContact O-N 2.82Å; H891-F894 PolarHBondContact O-N 2.98Å; H891-S895 WeakPolarHBondContact O-CB 3.34Å; H891-S895 PolarHBondContact O-N 3.4Å; H891-S895 PolarHBondContact O-OG 2.9Å; H891-F975 AromaticContact NE2-CE1 3.87Å; H891-F975 AromaticContact NE2-CZ 3.82Å
892E82.6Confident70.8Confident133 Ų13385.1 Ų85.162%0.62146%0.46SS*.Hα-helixtrans-58.3-42.5174.8-71172.8-179.900111.7Q888 L889 L890 F894Q888-E892 WeakPolarHBondContact O-CG 3.43Å; Q888-E892 PolarHBondContact O-N 2.97Å; L889-E892 PolarHBondContact O-N 2.94Å; L890-E892 PolarHBondContact O-N 3.25Å; E892-F894 VanDerWaalsContact C-N 3.34Å; E892-F894 PolarHBondContact O-N 2.73Å
893T82.8Confident69.1Low57 Ų5786.8 Ų86.835%0.3547%0.466SS..Hα-helixtrans-66.6-32-178.2-55.30000113.5L889 L890 H891L889-T893 WeakPolarHBondContact O-CB 3.34Å; L889-T893 PolarHBondContact O-N 3.31Å; L889-T893 PolarHBondContact O-OG1 3.14Å; L890-T893 PolarHBondContact O-N 3.04Å; H891-T893 VanDerWaalsContact C-N 3.29Å; H891-T893 PolarHBondContact O-N 2.82Å
894F82.7Confident67.4Low38 Ų3891.4 Ų91.417%0.16749%0.486CS..Hα-helixtrans-115.4-2.5-172.8-63.6-72.5000115.1L890 H891 E892 L909 I937 L1004 I1006L890-F894 HydrophobicContact CD2-CE2 4.08Å; L890-F894 VanDerWaalsContact O-CD2 3.25Å; L890-F894 WeakPolarHBondContact O-CD2 3.4Å; L890-F894 PolarHBondContact O-N 3Å; L890-F894 VanDerWaalsContact O-N 3.12Å; H891-F894 PolarHBondContact O-N 2.98Å; E892-F894 VanDerWaalsContact C-N 3.34Å; E892-F894 PolarHBondContact O-N 2.73Å; F894-L909 HydrophobicContact CE1-CD1 4.1Å; F894-L909 HydrophobicContact CZ-CD1 3.61Å; F894-I937 HydrophobicContact CE2-CD1 4.06Å; F894-I937 HydrophobicContact CZ-CD1 4.48Å; F894-L1004 HydrophobicContact CB-CD1 3.94Å; F894-L1004 HydrophobicContact CD2-CD1 4Å; F894-L1004 HydrophobicContact CG-CD1 4.37Å; F894-I1006 HydrophobicContact CD2-CG1 4.17Å; F894-I1006 HydrophobicContact CE1-CG2 4.15Å; F894-I1006 HydrophobicContact CE2-CG1 4.12Å; F894-I1006 HydrophobicContact CG-CG1 4.4Å; F894-I1006 HydrophobicContact CZ-CG1 4.3Å; F894-I1006 HydrophobicContact CZ-CG2 4.11Å
895S69.5Low65.8Low78 Ų7893 Ų9355%0.54549%0.494SS..Hα-helixtrans-79.4-21.7177.1-62.50000113.5H891 Q897H891-S895 WeakPolarHBondContact O-CB 3.34Å; H891-S895 PolarHBondContact O-N 3.4Å; H891-S895 PolarHBondContact O-OG 2.9Å; S895-Q897 PolarHBondContact O-N 3.12Å
896D55.3Low64.2Low136 Ų13689.9 Ų89.973%0.72748%0.481SS*.  trans-77.383.7177.1-95.2-22.5000111.7N898D896-N898 VanDerWaalsContact C-N 3.29Å; D896-N898 PolarHBondContact O-N 2.58Å
897Q46.4Very low63.6Low155 Ų15592 Ų9272%0.72449%0.49SS*.G310 helixtrans-74.7-11.7177.6-70.8-170.3-16.400114.3S895 A899S895-Q897 PolarHBondContact O-N 3.12Å; Q897-A899 PolarHBondContact O-N 3.12Å
898N42.6Very low63.4Low169 Ų16993 Ų9390%0.90449%0.494SS*.G310 helixtrans-844.6-169.1-81.1-18.3000116.2D896D896-N898 VanDerWaalsContact C-N 3.29Å; D896-N898 PolarHBondContact O-N 2.58Å
899A40.8Very low63.6Low92 Ų9287.9 Ų87.976%0.7647%0.47SS*.G310 helixtrans-115.96.6-178.500000114.9Q897Q897-A899 PolarHBondContact O-N 3.12Å
900L39.6Very low64.1Low70 Ų7083 Ų8337%0.36644%0.444SS..  trans-10934.4-165-137.993000115.6N907 P1007L900-N907 HydrophobicContact CD1-CB 4.27Å; L900-N907 WeakPolarHBondContact CD1-ND2 3.26Å; L900-P1007 HydrophobicContact CD2-CG 4.49Å
901D40.6Very low64.6Low136 Ų13682.8 Ų82.873%0.72744%0.443SS*.SBendtrans-97.1-5.5-177.9-97.1-23.3000116.2
902N41.3Very low65.1Low161 Ų16181.2 Ų81.286%0.86144%0.436SS*.SBendtrans-131.5-4.1178.4-76.1-32.1000117.3
903E41.8Very low65.8Low105 Ų10574.9 Ų74.949%0.49141%0.406SS..  trans-124.447.3178.2-73-171.2167.500113.1T905 V906E903-T905 PolarHBondContact O-N 2.91Å; E903-V906 HydrophobicContact CB-CB 4.23Å; E903-V906 HydrophobicContact CB-CG2 4.2Å; E903-V906 HydrophobicContact CG-CG2 4.46Å; E903-V906 PolarHBondContact O-N 3.13Å
904K50.7Low66.3Low142 Ų14272.2 Ų72.262%0.61739%0.39SS*.THydrogen-bonded Turntrans-56.8-24.1-170.9-75.3-175.6176.4179.90116.2K908K904-K908 WeakPolarHBondContact O-CE 3.48Å
905T51.3Low66.8Low88 Ų8870.8 Ų70.854%0.5438%0.384SS..THydrogen-bonded Turntrans-97.1-29.1179.324.60000113.5E903 N907 K908E903-T905 PolarHBondContact O-N 2.91Å; T905-N907 VanDerWaalsContact C-N 3.28Å; T905-N907 PolarHBondContact O-N 2.95Å; T905-K908 PolarHBondContact O-N 2.9Å
906V55.5Low68Low26 Ų2667.8 Ų67.816%0.15836%0.362CS..THydrogen-bonded Turntrans-69.2-25.3-173.5-176.20000112.3V825 E903 R935V825-V906 HydrophobicContact CB-CG2 4.44Å; V825-V906 HydrophobicContact CG1-CB 4.25Å; V825-V906 HydrophobicContact CG1-CG1 3.78Å; V825-V906 HydrophobicContact CG1-CG2 3.56Å; V825-V906 HydrophobicContact CG2-CG2 3.94Å; E903-V906 HydrophobicContact CB-CB 4.23Å; E903-V906 HydrophobicContact CB-CG2 4.2Å; E903-V906 HydrophobicContact CG-CG2 4.46Å; E903-V906 PolarHBondContact O-N 3.13Å; V906-R935 PolarHBondContact O-NH1 2.75Å
907N74.7Confident69.9Low69 Ų6962.5 Ų62.537%0.36933%0.333SS..THydrogen-bonded Turntrans-101.77.3-177-73.3-25.8000114.9L900 T905L900-N907 HydrophobicContact CD1-CB 4.27Å; L900-N907 WeakPolarHBondContact CD1-ND2 3.26Å; T905-N907 VanDerWaalsContact C-N 3.28Å; T905-N907 PolarHBondContact O-N 2.95Å
908K86.1Confident72.2Confident41 Ų4155.5 Ų55.518%0.17830%0.301CS..  trans-75.9141176.9-66.1-175.8174.2-1710111.4K904 T905 P1007 L1009K904-K908 WeakPolarHBondContact O-CE 3.48Å; T905-K908 PolarHBondContact O-N 2.9Å; K908-P1007 HydrophobicContact CG-CB 4.22Å; K908-L1009 HydrophobicContact CB-CB 3.87Å; K908-L1009 HydrophobicContact CB-CD1 4.25Å; K908-L1009 HydrophobicContact CD-CD1 4.41Å
909L93.1Very high74.8Confident9 Ų947.4 Ų47.45%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-122.4152.7-174.2-58.9177.3000112.9F894 R935 I937 I1006 P1007 L1009F894-L909 HydrophobicContact CE1-CD1 4.1Å; F894-L909 HydrophobicContact CZ-CD1 3.61Å; L909-R935 WeakPolarHBondContact CA-O 3.27Å; L909-I937 HydrophobicContact CB-CG2 4.18Å; L909-I937 HydrophobicContact CD1-CG2 4.19Å; L909-I1006 HydrophobicContact CD1-CG2 4.14Å; L909-P1007 PolarHBondContact N-O 2.68Å; L909-L1009 PolarHBondContact O-N 2.91Å
910F96Very high77.5Confident0 Ų043.1 Ų43.10%022%0.222CC..EExtended strand (participates in β ladder)trans-78.9118.9163.3-70.1-76.7000109.7Y818 F822 L926 I931 R935 I936 I937 L1009 G1010 F1012Y818-F910 AromaticContact CD2-CE1 3.86Å; Y818-F910 HydrophobicContact CD2-CE1 3.86Å; Y818-F910 AromaticContact CD2-CZ 3.48Å; Y818-F910 HydrophobicContact CD2-CZ 3.48Å; Y818-F910 VanDerWaalsContact CD2-CZ 3.48Å; Y818-F910 AromaticContact CE2-CE1 3.79Å; Y818-F910 HydrophobicContact CE2-CE1 3.79Å; Y818-F910 AromaticContact CE2-CZ 3.91Å; Y818-F910 HydrophobicContact CE2-CZ 3.91Å; Y818-F910 AromaticContact CG-CZ 3.84Å; Y818-F910 HydrophobicContact CG-CZ 3.84Å; F822-F910 HydrophobicContact CE2-CE2 4.43Å; F822-F910 HydrophobicContact CZ-CE2 4.13Å; F910-L926 HydrophobicContact CB-CD1 4.22Å; F910-I931 HydrophobicContact CD2-CG1 4.46Å; F910-I931 HydrophobicContact CD2-CG2 3.69Å; F910-I931 HydrophobicContact CE2-CD1 3.67Å; F910-I931 HydrophobicContact CE2-CG1 3.98Å; F910-I931 HydrophobicContact CE2-CG2 3.88Å; F910-I931 HydrophobicContact CZ-CD1 4.19Å; F910-R935 PolarHBondContact N-O 2.78Å; F910-I936 WeakPolarHBondContact O-CA 3.43Å; F910-I937 PolarHBondContact O-N 2.78Å; F910-L1009 HydrophobicContact CD2-CD2 4.29Å; F910-L1009 HydrophobicContact CE1-CD2 4.38Å; F910-L1009 HydrophobicContact CE1-CG 4.43Å; F910-L1009 HydrophobicContact CE2-CD2 3.65Å; F910-L1009 HydrophobicContact CE2-CG 4.5Å; F910-L1009 HydrophobicContact CZ-CD2 3.71Å; F910-L1009 HydrophobicContact CZ-CG 4.21Å; F910-G1010 CarbonylContact C-O 3.6Å; F910-G1010 WeakPolarHBondContact CA-O 3.44Å; F910-F1012 AromaticContact CD1-CE2 3.8Å; F910-F1012 HydrophobicContact CD1-CE2 3.8Å; F910-F1012 HydrophobicContact CE1-CE2 4.47Å
911I97.1Very high80.3Confident0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-102.8120.1-178.4-53.9175.3000108.2I937 I939 V995 F997 I1006 C1008 G1010 L1011 F1012I911-I937 CarbonylContact C-O 3.47Å; I911-I937 WeakPolarHBondContact CA-O 3.33Å; I911-I937 HydrophobicContact CB-CG2 4.19Å; I911-I937 HydrophobicContact CG1-CG2 3.74Å; I911-I937 HydrophobicContact CG2-CG2 4.32Å; I911-I939 HydrophobicContact CG2-CG1 4.07Å; I911-V995 HydrophobicContact CD1-CB 3.86Å; I911-V995 HydrophobicContact CD1-CG2 3.86Å; I911-F997 HydrophobicContact CG2-CE2 4.21Å; I911-F997 HydrophobicContact CG2-CZ 3.86Å; I911-I1006 HydrophobicContact CD1-CB 3.96Å; I911-I1006 HydrophobicContact CD1-CG2 3.74Å; I911-I1006 HydrophobicContact CG1-CG2 4.13Å; I911-C1008 HydrophobicContact CD1-CB 3.9Å; I911-G1010 PolarHBondContact N-O 2.95Å; I911-L1011 HydrophobicContact CB-CD1 3.88Å; I911-L1011 HydrophobicContact CG2-CD1 3.74Å; I911-L1011 CarbonylContact O-C 3.46Å; I911-L1011 WeakPolarHBondContact O-CA 3.44Å; I911-F1012 PolarHBondContact O-N 2.9Å
912V97.5Very high83Confident0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-105.9105.6173.3-176.20000108.4A919 I923 L926 I936 I937 M938 I939 F1012 F1014V912-A919 HydrophobicContact CG1-CB 3.99Å; V912-I923 HydrophobicContact CB-CD1 4.47Å; V912-I923 HydrophobicContact CB-CG1 4.23Å; V912-I923 HydrophobicContact CG1-CG1 4.31Å; V912-I923 HydrophobicContact CG2-CG1 3.86Å; V912-L926 HydrophobicContact CG2-CD1 4.17Å; V912-I936 HydrophobicContact CG2-CG2 4.41Å; V912-I937 PolarHBondContact N-O 2.79Å; V912-M938 CarbonylContact O-C 3.6Å; V912-M938 WeakPolarHBondContact O-CA 3.5Å; V912-I939 PolarHBondContact O-N 2.67Å; V912-F1012 HydrophobicContact CG1-CB 4.46Å; V912-F1012 HydrophobicContact CG2-CB 4.28Å; V912-F1012 HydrophobicContact CG2-CD2 4.28Å; V912-F1014 HydrophobicContact CG1-CD2 3.95Å; V912-F1014 HydrophobicContact CG1-CE2 4.35Å
913Y96.3Very high85.7Confident1 Ų125.6 Ų25.60%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-96.9115.4-177.9-179.7-105.4000111.8I939 P941 F975 L977 F997 F1012 Y1013 F1014 H1015Y913-I939 CarbonylContact C-O 3.53Å; Y913-I939 VanDerWaalsContact CA-O 3.31Å; Y913-I939 WeakPolarHBondContact CA-O 3.4Å; Y913-I939 HydrophobicContact CD2-CB 4.08Å; Y913-I939 HydrophobicContact CD2-CG2 3.86Å; Y913-I939 WeakPolarHBondContact CD2-O 3.31Å; Y913-I939 HydrophobicContact CE2-CG2 4.17Å; Y913-P941 HydrophobicContact CE1-CG 4.3Å; Y913-P941 HydrophobicContact CE2-CB 4.17Å; Y913-P941 HydrophobicContact CE2-CG 4.22Å; Y913-P941 WeakPolarHBondContact OH-CB 3.49Å; Y913-F975 WeakPolarHBondContact CE2-O 3.1Å; Y913-L977 HydrophobicContact CE1-CB 4.08Å; Y913-L977 HydrophobicContact CE2-CB 4.02Å; Y913-L977 PolarHBondContact OH-N 3.23Å; Y913-L977 VanDerWaalsContact OH-N 3.09Å; Y913-F997 HydrophobicContact CD2-CD1 4.17Å; Y913-F997 AromaticContact CD2-CE1 3.46Å; Y913-F997 HydrophobicContact CD2-CE1 3.46Å; Y913-F997 VanDerWaalsContact CD2-CE1 3.46Å; Y913-F997 HydrophobicContact CD2-CZ 4.33Å; Y913-F997 HydrophobicContact CE2-CD1 4.04Å; Y913-F997 AromaticContact CE2-CE1 3.77Å; Y913-F997 HydrophobicContact CE2-CE1 3.77Å; Y913-F997 HydrophobicContact CG-CE1 4.27Å; Y913-F1012 PolarHBondContact N-O 3.47Å; Y913-Y1013 AromaticContact CD1-CD2 3.63Å; Y913-Y1013 HydrophobicContact CD1-CD2 3.63Å; Y913-Y1013 AromaticContact CD1-CE2 3.45Å; Y913-Y1013 HydrophobicContact CD1-CE2 3.45Å; Y913-Y1013 VanDerWaalsContact CD1-CE2 3.45Å; Y913-Y1013 HydrophobicContact CD1-CG 4.35Å; Y913-Y1013 HydrophobicContact CE1-CD2 4.26Å; Y913-Y1013 AromaticContact CE1-CE2 3.6Å; Y913-Y1013 HydrophobicContact CE1-CE2 3.6Å; Y913-Y1013 AromaticContact CE1-CZ 3.93Å; Y913-F1014 WeakPolarHBondContact O-CA 3.21Å; Y913-F1014 PolarHBondContact O-N 2.79Å; Y913-H1015 HydrophobicContact CD1-CB 4.08Å; Y913-H1015 HydrophobicContact CE1-CB 3.72Å
914G94.3Very high88.4Confident0 Ų020.6 Ų20.60%011%0.105CC..  trans138.4165.6-179.900000112.4M938 I939G914-M938 WeakPolarHBondContact O-CE 3.31Å; G914-I939 PolarHBondContact N-O 3.15Å
915Y92.6Very high90.6Very high9 Ų913.9 Ų13.94%0.0358%0.076CC..  trans-122.211.6-17959.8-102.7000112.9P941 M944 Y947 A950Y915-P941 HydrophobicContact CD1-CG 3.84Å; Y915-P941 HydrophobicContact CE1-CG 4.02Å; Y915-M944 HydrophobicContact CE1-CE 4.43Å; Y915-M944 VanDerWaalsContact OH-CE 3.22Å; Y915-M944 WeakPolarHBondContact OH-CE 3.46Å; Y915-Y947 AromaticContact CE2-CD1 4Å; Y915-Y947 HydrophobicContact CE2-CD1 4Å; Y915-Y947 HydrophobicContact CE2-CE1 4.47Å; Y915-Y947 WeakPolarHBondContact OH-CD1 3.38Å; Y915-A950 WeakPolarHBondContact O-CB 3.4Å
916T94.2Very high92.8Very high14 Ų149.7 Ų9.79%0.0865%0.05CC..SBendtrans-77.3160.4-179.957.50000111.8Y727 D918 A919 Y920 Y947 F1014Y727-T916 HydrophobicContact CE1-CG2 4.28Å; Y727-T916 WeakPolarHBondContact OH-CB 3.26Å; Y727-T916 PolarHBondContact OH-OG1 3Å; T916-D918 PolarHBondContact O-N 3.21Å; T916-A919 WeakPolarHBondContact O-CA 3.39Å; T916-A919 WeakPolarHBondContact O-CB 3.39Å; T916-A919 PolarHBondContact O-N 2.86Å; T916-Y920 VanDerWaalsContact O-CD2 3.28Å; T916-Y920 WeakPolarHBondContact O-CD2 3.48Å; T916-Y947 HydrophobicContact CG2-CE1 4.35Å; T916-F1014 WeakPolarHBondContact CG2-O 3.49Å; T916-F1014 PolarHBondContact OG1-O 3.39Å
917I95.1Very high94.8Very high25 Ų2510.2 Ų10.213%0.1285%0.052CC..Hα-helixtrans-54.6-39.5176.6-64172.4000111A919 Y920 T921 A950 F951 V1118 A1120 L1122 Y1128I917-A919 PolarHBondContact O-N 2.99Å; I917-Y920 WeakPolarHBondContact O-CB 3.38Å; I917-Y920 PolarHBondContact O-N 2.83Å; I917-T921 HydrophobicContact CG2-CG2 4.33Å; I917-T921 PolarHBondContact O-N 3.07Å; I917-A950 VanDerWaalsContact CD1-O 3.23Å; I917-A950 WeakPolarHBondContact CD1-O 3.31Å; I917-A950 HydrophobicContact CG1-CB 4.04Å; I917-A950 WeakPolarHBondContact CG1-O 3.26Å; I917-F951 HydrophobicContact CG1-CE1 4.4Å; I917-V1118 HydrophobicContact CD1-CB 4.31Å; I917-V1118 HydrophobicContact CD1-CG1 3.6Å; I917-V1118 HydrophobicContact CG2-CG1 4.35Å; I917-A1120 HydrophobicContact CG2-CB 3.67Å; I917-L1122 HydrophobicContact CG2-CD2 4.43Å; I917-Y1128 HydrophobicContact CD1-CE1 4.16Å
918D96.2Very high95.8Very high8 Ų89.3 Ų9.34%0.0435%0.047CC..Hα-helixtrans-61.3-26.6177.5-64.5-35.9000112.7S670 Y727 T916 T921 C922 F1014 K1017S670-D918 VanDerWaalsContact CB-OD1 3.27Å; S670-D918 WeakPolarHBondContact CB-OD1 3.33Å; S670-D918 PolarHBondContact N-OD1 3.09Å; S670-D918 PolarHBondContact OG-OD1 3.36Å; Y727-D918 HydrophobicContact CE2-CB 4.09Å; Y727-D918 WeakPolarHBondContact OH-CB 3.37Å; Y727-D918 PolarHBondContact OH-OD2 3Å; T916-D918 PolarHBondContact O-N 3.21Å; D918-T921 WeakPolarHBondContact CA-OG1 3.38Å; D918-T921 PolarHBondContact O-OG1 2.98Å; D918-C922 VanDerWaalsContact O-CB 3.31Å; D918-C922 WeakPolarHBondContact O-CB 3.21Å; D918-C922 PolarHBondContact O-N 2.98Å; D918-F1014 HydrophobicContact CB-CD1 3.81Å; D918-F1014 HydrophobicContact CB-CE1 3.84Å; D918-K1017 WeakPolarHBondContact OD2-CE 3.29Å; D918-K1017 IonicContact OD2-NZ 2.65Å; D918-K1017 PolarHBondContact OD2-NZ 2.99Å
919A96.7Very high96.2Very high0 Ų07.8 Ų7.80%04%0.042CC..Hα-helixtrans-67.6-41.5173.100000111.4V912 T916 I917 C922 I923 M938 F1014V912-A919 HydrophobicContact CG1-CB 3.99Å; T916-A919 WeakPolarHBondContact O-CA 3.39Å; T916-A919 WeakPolarHBondContact O-CB 3.39Å; T916-A919 PolarHBondContact O-N 2.86Å; I917-A919 PolarHBondContact O-N 2.99Å; A919-C922 WeakPolarHBondContact O-CB 3.37Å; A919-C922 PolarHBondContact O-N 3.32Å; A919-I923 WeakPolarHBondContact O-CG1 3.39Å; A919-I923 PolarHBondContact O-N 3.4Å; A919-M938 HydrophobicContact CB-CE 3.9Å; A919-F1014 HydrophobicContact CB-CB 3.77Å; A919-F1014 HydrophobicContact CB-CD2 4.12Å; A919-F1014 HydrophobicContact CB-CG 4.08Å
920Y97.9Very high96.2Very high1 Ų19.6 Ų9.60%0.0046%0.063CC..Hα-helixtrans-70.6-38.4176.6-66-89.8000112.1T916 I917 C922 I923 T924 M938 Q940 A950 F951 I960 H961 M964 P1123T916-Y920 VanDerWaalsContact O-CD2 3.28Å; T916-Y920 WeakPolarHBondContact O-CD2 3.48Å; I917-Y920 WeakPolarHBondContact O-CB 3.38Å; I917-Y920 PolarHBondContact O-N 2.83Å; Y920-C922 VanDerWaalsContact C-N 3.35Å; Y920-I923 PolarHBondContact O-N 2.83Å; Y920-T924 PolarHBondContact O-N 2.86Å; Y920-T924 VanDerWaalsContact O-N 3.11Å; Y920-T924 PolarHBondContact O-OG1 3.34Å; Y920-M938 HydrophobicContact CD1-CE 4.28Å; Y920-M938 HydrophobicContact CD1-SD 4.33Å; Y920-M938 HydrophobicContact CD2-CE 4.08Å; Y920-M938 HydrophobicContact CE1-CE 3.94Å; Y920-M938 HydrophobicContact CE1-SD 3.95Å; Y920-M938 HydrophobicContact CE2-CE 3.72Å; Y920-M938 HydrophobicContact CG-CE 4.35Å; Y920-Q940 PolarHBondContact OH-NE2 2.99Å; Y920-A950 HydrophobicContact CD2-CB 4.27Å; Y920-A950 HydrophobicContact CE2-CB 3.74Å; Y920-F951 HydrophobicContact CD1-CE2 4.32Å; Y920-F951 HydrophobicContact CD1-CZ 4.29Å; Y920-F951 AromaticContact CD2-CE2 3.94Å; Y920-F951 HydrophobicContact CD2-CE2 3.94Å; Y920-F951 AromaticContact CD2-CZ 3.8Å; Y920-F951 HydrophobicContact CD2-CZ 3.8Å; Y920-F951 AromaticContact CE1-CE2 3.98Å; Y920-F951 HydrophobicContact CE1-CE2 3.98Å; Y920-F951 HydrophobicContact CE1-CZ 4.42Å; Y920-F951 AromaticContact CE2-CE2 3.58Å; Y920-F951 HydrophobicContact CE2-CE2 3.58Å; Y920-F951 AromaticContact CE2-CZ 3.95Å; Y920-F951 HydrophobicContact CE2-CZ 3.95Å; Y920-F951 HydrophobicContact CG-CE2 4.29Å; Y920-F951 AromaticContact CG-CZ 3.99Å; Y920-F951 HydrophobicContact CG-CZ 3.99Å; Y920-F951 AromaticContact CZ-CE2 3.59Å; Y920-I960 HydrophobicContact CD1-CG2 3.97Å; Y920-I960 HydrophobicContact CE1-CG2 4.08Å; Y920-H961 AromaticContact CE1-CD2 3.93Å; Y920-H961 AromaticContact CE1-NE2 3.68Å; Y920-H961 AromaticContact CZ-NE2 3.69Å; Y920-H961 PolarHBondContact OH-NE2 3.48Å; Y920-M964 HydrophobicContact CD1-SD 3.84Å; Y920-M964 HydrophobicContact CE1-SD 3.85Å; Y920-P1123 WeakPolarHBondContact O-CD 3.41Å
921T97.7Very high96.1Very high0 Ų09.7 Ų9.70%06%0.063CC..Hα-helixtrans-65.9-39.4173.657.90000110.7K667 F668 L669 I917 D918 I923 T924 G925 A1120K667-T921 CarbonylContact O-C 3.53Å; F668-T921 VanDerWaalsContact C-OG1 3.26Å; F668-T921 PolarHBondContact O-OG1 3.29Å; L669-T921 WeakPolarHBondContact CA-OG1 3.37Å; L669-T921 PolarHBondContact N-OG1 3.12Å; I917-T921 HydrophobicContact CG2-CG2 4.33Å; I917-T921 PolarHBondContact O-N 3.07Å; D918-T921 WeakPolarHBondContact CA-OG1 3.38Å; D918-T921 PolarHBondContact O-OG1 2.98Å; T921-I923 VanDerWaalsContact C-N 3.31Å; T921-I923 PolarHBondContact O-N 3.27Å; T921-T924 CarbonylContact O-C 3.51Å; T921-T924 WeakPolarHBondContact O-CA 3.26Å; T921-T924 VanDerWaalsContact O-CB 3.25Å; T921-T924 WeakPolarHBondContact O-CB 3.23Å; T921-T924 PolarHBondContact O-N 2.75Å; T921-G925 PolarHBondContact O-N 3.21Å; T921-A1120 HydrophobicContact CG2-CB 3.59Å
922C97.7Very high95.9Very high0 Ų014.3 Ų14.30%09%0.088CC..Hα-helixtrans-56.3-45174.6-177.20000112.4F668 D918 A919 Y920 T924 G925 L926 F1012 F1014F668-C922 PolarHBondContact O-N 2.96Å; D918-C922 VanDerWaalsContact O-CB 3.31Å; D918-C922 WeakPolarHBondContact O-CB 3.21Å; D918-C922 PolarHBondContact O-N 2.98Å; A919-C922 WeakPolarHBondContact O-CB 3.37Å; A919-C922 PolarHBondContact O-N 3.32Å; Y920-C922 VanDerWaalsContact C-N 3.35Å; C922-T924 VanDerWaalsContact C-N 3.28Å; C922-T924 PolarHBondContact O-N 3.38Å; C922-G925 PolarHBondContact O-N 3.16Å; C922-G925 VanDerWaalsContact O-N 3.15Å; C922-L926 WeakPolarHBondContact O-CG 3.06Å; C922-L926 PolarHBondContact O-N 3Å; C922-F1012 WeakPolarHBondContact SG-CD1 3.44Å; C922-F1014 HydrophobicContact CB-CD2 4.39Å; C922-F1014 HydrophobicContact CB-CE2 3.42Å; C922-F1014 VanDerWaalsContact CB-CE2 3.42Å; C922-F1014 HydrophobicContact CB-CZ 3.66Å
923I98.1Very high95.7Very high0 Ų014.7 Ų14.70%09%0.091CC..Hα-helixtrans-58.2-43.7174.2-67171.8000110.6V912 A919 Y920 T921 G925 L926 L927 I936 M938 M964 I969 P1123V912-I923 HydrophobicContact CB-CD1 4.47Å; V912-I923 HydrophobicContact CB-CG1 4.23Å; V912-I923 HydrophobicContact CG1-CG1 4.31Å; V912-I923 HydrophobicContact CG2-CG1 3.86Å; A919-I923 WeakPolarHBondContact O-CG1 3.39Å; A919-I923 PolarHBondContact O-N 3.4Å; Y920-I923 PolarHBondContact O-N 2.83Å; T921-I923 VanDerWaalsContact C-N 3.31Å; T921-I923 PolarHBondContact O-N 3.27Å; I923-G925 VanDerWaalsContact C-N 3.34Å; I923-G925 PolarHBondContact O-N 3.31Å; I923-L926 PolarHBondContact O-N 3.24Å; I923-L927 HydrophobicContact CG2-CD1 4.18Å; I923-L927 HydrophobicContact CG2-CG 4.47Å; I923-L927 VanDerWaalsContact O-CG 3.3Å; I923-L927 WeakPolarHBondContact O-CG 3.35Å; I923-L927 PolarHBondContact O-N 3.31Å; I923-I936 HydrophobicContact CG1-CG2 4.2Å; I923-I936 HydrophobicContact CG2-CG2 4.43Å; I923-M938 HydrophobicContact CD1-CB 3.95Å; I923-M938 HydrophobicContact CD1-CG 4.05Å; I923-M938 HydrophobicContact CD1-SD 3.77Å; I923-M964 HydrophobicContact CD1-CE 3.5Å; I923-M964 VanDerWaalsContact CD1-CE 3.5Å; I923-I969 HydrophobicContact CG2-CD1 3.66Å; I923-P1123 HydrophobicContact CB-CG 4.09Å; I923-P1123 HydrophobicContact CG2-CB 4.18Å; I923-P1123 HydrophobicContact CG2-CG 3.8Å
924T97.8Very high95.5Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-61.2-42.4176.1-51.60000112.1Y920 T921 C922 L927 N928 L1121 L1122 P1123Y920-T924 PolarHBondContact O-N 2.86Å; Y920-T924 VanDerWaalsContact O-N 3.11Å; Y920-T924 PolarHBondContact O-OG1 3.34Å; T921-T924 CarbonylContact O-C 3.51Å; T921-T924 WeakPolarHBondContact O-CA 3.26Å; T921-T924 VanDerWaalsContact O-CB 3.25Å; T921-T924 WeakPolarHBondContact O-CB 3.23Å; T921-T924 PolarHBondContact O-N 2.75Å; C922-T924 VanDerWaalsContact C-N 3.28Å; C922-T924 PolarHBondContact O-N 3.38Å; T924-L927 PolarHBondContact O-N 3.35Å; T924-N928 WeakPolarHBondContact CG2-ND2 3.31Å; T924-N928 WeakPolarHBondContact O-CB 3.45Å; T924-N928 PolarHBondContact O-N 3.07Å; T924-N928 PolarHBondContact O-ND2 2.62Å; T924-L1121 WeakPolarHBondContact CB-O 3.06Å; T924-L1121 HydrophobicContact CG2-CB 4.31Å; T924-L1121 HydrophobicContact CG2-CD2 3.91Å; T924-L1121 HydrophobicContact CG2-CG 3.87Å; T924-L1121 PolarHBondContact OG1-O 2.86Å; T924-L1122 WeakPolarHBondContact OG1-CA 3.35Å; T924-L1122 PolarHBondContact OG1-O 3.22Å; T924-P1123 WeakPolarHBondContact OG1-CA 3.43Å; T924-P1123 VanDerWaalsContact OG1-CD 3.32Å; T924-P1123 WeakPolarHBondContact OG1-CD 3.49Å
925G96.7Very high95.4Very high0 Ų020.4 Ų20.40%012%0.119CC..Hα-helixtrans-59.4-45.7173.600000112.4F668 T921 C922 I923 N928 A929F668-G925 VanDerWaalsContact CE2-C 3.47Å; F668-G925 VanDerWaalsContact CE2-CA 3.43Å; F668-G925 WeakPolarHBondContact CZ-O 3.32Å; T921-G925 PolarHBondContact O-N 3.21Å; C922-G925 PolarHBondContact O-N 3.16Å; C922-G925 VanDerWaalsContact O-N 3.15Å; I923-G925 VanDerWaalsContact C-N 3.34Å; I923-G925 PolarHBondContact O-N 3.31Å; G925-N928 PolarHBondContact O-N 2.77Å; G925-A929 VanDerWaalsContact O-CB 3.31Å; G925-A929 WeakPolarHBondContact O-CB 3.38Å; G925-A929 PolarHBondContact O-N 3.31Å
926L97.5Very high95.6Very high0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-61.4-48176.2-70.8172.4000112.2F668 I814 F910 V912 C922 I923 N928 A929 G930 I931 I936 F1012F668-L926 HydrophobicContact CE1-CD2 4.19Å; F668-L926 HydrophobicContact CE1-CG 4.15Å; F668-L926 HydrophobicContact CZ-CD2 4.47Å; I814-L926 HydrophobicContact CD1-CD2 3.76Å; F910-L926 HydrophobicContact CB-CD1 4.22Å; V912-L926 HydrophobicContact CG2-CD1 4.17Å; C922-L926 WeakPolarHBondContact O-CG 3.06Å; C922-L926 PolarHBondContact O-N 3Å; I923-L926 PolarHBondContact O-N 3.24Å; L926-N928 VanDerWaalsContact C-N 3.33Å; L926-N928 PolarHBondContact O-N 2.7Å; L926-A929 WeakPolarHBondContact O-CB 3.35Å; L926-A929 PolarHBondContact O-N 3.44Å; L926-A929 VanDerWaalsContact O-N 3.1Å; L926-G930 PolarHBondContact O-N 3.25Å; L926-I931 HydrophobicContact CB-CB 4.31Å; L926-I931 HydrophobicContact CB-CG1 4.41Å; L926-I931 HydrophobicContact CD2-CG1 4.32Å; L926-I931 WeakPolarHBondContact O-CB 3.44Å; L926-I931 WeakPolarHBondContact O-CG1 3.49Å; L926-I931 PolarHBondContact O-N 3.28Å; L926-I936 HydrophobicContact CB-CD1 3.77Å; L926-I936 HydrophobicContact CD1-CD1 4.27Å; L926-F1012 HydrophobicContact CD1-CD2 4.32Å; L926-F1012 HydrophobicContact CD1-CE2 3.89Å; L926-F1012 HydrophobicContact CD1-CZ 4.37Å; L926-F1012 HydrophobicContact CD2-CE2 3.96Å; L926-F1012 HydrophobicContact CD2-CZ 3.8Å; L926-F1012 HydrophobicContact CG-CE2 4.42Å; L926-F1012 HydrophobicContact CG-CZ 4.44Å
927L97.2Very high95.7Very high38 Ų3819.4 Ų19.420%0.19911%0.113CC..Hα-helixtrans-58.2-46.2176.6-68.7169.7000111.3I923 T924 A929 G930 I936 L967 I969 P1123I923-L927 HydrophobicContact CG2-CD1 4.18Å; I923-L927 HydrophobicContact CG2-CG 4.47Å; I923-L927 VanDerWaalsContact O-CG 3.3Å; I923-L927 WeakPolarHBondContact O-CG 3.35Å; I923-L927 PolarHBondContact O-N 3.31Å; T924-L927 PolarHBondContact O-N 3.35Å; L927-A929 PolarHBondContact O-N 3.5Å; L927-G930 PolarHBondContact O-N 3.41Å; L927-G930 VanDerWaalsContact O-N 3.08Å; L927-I936 HydrophobicContact CD2-CD1 4.02Å; L927-I936 HydrophobicContact CG-CD1 4.2Å; L927-L967 HydrophobicContact CD1-CD1 3.93Å; L927-I969 HydrophobicContact CD1-CD1 4.12Å; L927-I969 HydrophobicContact CD2-CD1 4.39Å; L927-P1123 HydrophobicContact CD1-CB 4.32Å
928N95.9Very high95.8Very high50 Ų5018.2 Ų18.227%0.26711%0.107SC..Hα-helixtrans-71.8-18178.6-79.8-81.8000113.4L664 K667 T924 G925 L926 N1125L664-N928 HydrophobicContact CD1-CB 3.5Å; K667-N928 HydrophobicContact CD-CB 3.82Å; K667-N928 PolarHBondContact NZ-OD1 2.69Å; T924-N928 WeakPolarHBondContact CG2-ND2 3.31Å; T924-N928 WeakPolarHBondContact O-CB 3.45Å; T924-N928 PolarHBondContact O-N 3.07Å; T924-N928 PolarHBondContact O-ND2 2.62Å; G925-N928 PolarHBondContact O-N 2.77Å; L926-N928 VanDerWaalsContact C-N 3.33Å; L926-N928 PolarHBondContact O-N 2.7Å; N928-N1125 PolarHBondContact ND2-OD1 3.35Å; N928-N1125 PolarHBondContact OD1-OD1 3.2Å
929A95Very high95.9Very high9 Ų917.8 Ų17.87%0.07411%0.105CC..THydrogen-bonded Turntrans-82.31.6170.600000112.7L664 I814 G925 L926 L927L664-A929 HydrophobicContact CD2-CB 3.94Å; I814-A929 HydrophobicContact CD1-CB 4.14Å; I814-A929 HydrophobicContact CG2-CB 4.08Å; G925-A929 VanDerWaalsContact O-CB 3.31Å; G925-A929 WeakPolarHBondContact O-CB 3.38Å; G925-A929 PolarHBondContact O-N 3.31Å; L926-A929 WeakPolarHBondContact O-CB 3.35Å; L926-A929 PolarHBondContact O-N 3.44Å; L926-A929 VanDerWaalsContact O-N 3.1Å; L927-A929 PolarHBondContact O-N 3.5Å
930G93.2Very high95.8Very high46 Ų4618.5 Ų18.547%0.47411%0.108SC..THydrogen-bonded Turntrans94.88177.900000114.9L926 L927L926-G930 PolarHBondContact O-N 3.25Å; L927-G930 PolarHBondContact O-N 3.41Å; L927-G930 VanDerWaalsContact O-N 3.08Å
931I94.4Very high95.5Very high3 Ų318.6 Ų18.62%0.01511%0.109CC..  trans-80.9122.2175.9-54.6-55.8000110I814 L819 F822 F910 L926 R935 I936I814-I931 HydrophobicContact CG2-CD1 3.87Å; I814-I931 HydrophobicContact CG2-CG1 4.28Å; L819-I931 HydrophobicContact CD2-CD1 4Å; F822-I931 HydrophobicContact CE2-CD1 3.75Å; F910-I931 HydrophobicContact CD2-CG1 4.46Å; F910-I931 HydrophobicContact CD2-CG2 3.69Å; F910-I931 HydrophobicContact CE2-CD1 3.67Å; F910-I931 HydrophobicContact CE2-CG1 3.98Å; F910-I931 HydrophobicContact CE2-CG2 3.88Å; F910-I931 HydrophobicContact CZ-CD1 4.19Å; L926-I931 HydrophobicContact CB-CB 4.31Å; L926-I931 HydrophobicContact CB-CG1 4.41Å; L926-I931 HydrophobicContact CD2-CG1 4.32Å; L926-I931 WeakPolarHBondContact O-CB 3.44Å; L926-I931 WeakPolarHBondContact O-CG1 3.49Å; L926-I931 PolarHBondContact O-N 3.28Å; I931-R935 HydrophobicContact CG2-CB 3.95Å; I931-I936 HydrophobicContact CB-CD1 4.41Å; I931-I936 HydrophobicContact CG2-CD1 3.95Å; I931-I936 HydrophobicContact CG2-CG1 3.77Å
932D92.4Very high95Very high97 Ų9719.2 Ų19.252%0.51911%0.113SC..  trans-64.3141.8175.1-70-37.2000112.2N934 R935D932-N934 WeakPolarHBondContact CB-OD1 3.48Å; D932-N934 PolarHBondContact O-N 3.02Å; D932-N934 VanDerWaalsContact O-N 3.16Å; D932-R935 HydrophobicContact CB-CG 4.48Å; D932-R935 WeakPolarHBondContact O-CB 3.3Å; D932-R935 PolarHBondContact O-N 3.37Å
933G93.5Very high94.3Very high7 Ų722.9 Ų22.97%0.07213%0.13CC..G310 helixtrans-63-25.1-176.700000114.6R935 I936 L967 K968 I969G933-R935 PolarHBondContact O-N 3.06Å; G933-I936 PolarHBondContact O-N 3.46Å; G933-L967 VanDerWaalsContact CA-O 3.27Å; G933-L967 WeakPolarHBondContact CA-O 3.46Å; G933-K968 CarbonylContact C-O 3.51Å; G933-I969 WeakPolarHBondContact O-CA 3.33Å
934N91.9Very high93.5Very high71 Ų7123.5 Ų23.538%0.3813%0.133SC..G310 helixtrans-68.4-14.3173.168.5-15.6000113.8D932 K968D932-N934 WeakPolarHBondContact CB-OD1 3.48Å; D932-N934 PolarHBondContact O-N 3.02Å; D932-N934 VanDerWaalsContact O-N 3.16Å; N934-K968 WeakPolarHBondContact CA-O 3.33Å; N934-K968 HydrophobicContact CB-CB 4.07Å
935R92.1Very high92.4Very high51 Ų5127.2 Ų27.219%0.19215%0.149CC..G310 helixtrans-90.2-3173.2-63.1-71.2-175-1526.3112.5V906 L909 F910 I931 D932 G933V906-R935 PolarHBondContact O-NH1 2.75Å; L909-R935 WeakPolarHBondContact CA-O 3.27Å; F910-R935 PolarHBondContact N-O 2.78Å; I931-R935 HydrophobicContact CG2-CB 3.95Å; D932-R935 HydrophobicContact CB-CG 4.48Å; D932-R935 WeakPolarHBondContact O-CB 3.3Å; D932-R935 PolarHBondContact O-N 3.37Å; G933-R935 PolarHBondContact O-N 3.06Å
936I96.5Very high91.2Very high1 Ų133.4 Ų33.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-113.7133-174.9-54.1174.5000109.6F910 V912 I923 L926 L927 I931 G933 I969 R970F910-I936 WeakPolarHBondContact O-CA 3.43Å; V912-I936 HydrophobicContact CG2-CG2 4.41Å; I923-I936 HydrophobicContact CG1-CG2 4.2Å; I923-I936 HydrophobicContact CG2-CG2 4.43Å; L926-I936 HydrophobicContact CB-CD1 3.77Å; L926-I936 HydrophobicContact CD1-CD1 4.27Å; L927-I936 HydrophobicContact CD2-CD1 4.02Å; L927-I936 HydrophobicContact CG-CD1 4.2Å; I931-I936 HydrophobicContact CB-CD1 4.41Å; I931-I936 HydrophobicContact CG2-CD1 3.95Å; I931-I936 HydrophobicContact CG2-CG1 3.77Å; G933-I936 PolarHBondContact O-N 3.46Å; I936-I969 HydrophobicContact CB-CG1 4.47Å; I936-I969 HydrophobicContact CB-CG2 4.37Å; I936-I969 HydrophobicContact CG2-CG2 4.17Å; I936-R970 PolarHBondContact O-N 3.32Å
937I96.8Very high90.1Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-127.8128.6171.1-176.2162.7000109.8L890 F894 L909 F910 I911 V912 I939 R970 I1006L890-I937 HydrophobicContact CD1-CD1 4.46Å; L890-I937 HydrophobicContact CD2-CD1 3.5Å; L890-I937 VanDerWaalsContact CD2-CD1 3.5Å; F894-I937 HydrophobicContact CE2-CD1 4.06Å; F894-I937 HydrophobicContact CZ-CD1 4.48Å; L909-I937 HydrophobicContact CB-CG2 4.18Å; L909-I937 HydrophobicContact CD1-CG2 4.19Å; F910-I937 PolarHBondContact O-N 2.78Å; I911-I937 CarbonylContact C-O 3.47Å; I911-I937 WeakPolarHBondContact CA-O 3.33Å; I911-I937 HydrophobicContact CB-CG2 4.19Å; I911-I937 HydrophobicContact CG1-CG2 3.74Å; I911-I937 HydrophobicContact CG2-CG2 4.32Å; V912-I937 PolarHBondContact N-O 2.79Å; I937-I939 HydrophobicContact CD1-CD1 3.87Å; I937-I939 HydrophobicContact CG1-CD1 3.84Å; I937-I939 HydrophobicContact CG1-CG1 4.28Å; I937-R970 WeakPolarHBondContact CA-O 3.4Å; I937-R970 HydrophobicContact CB-CB 4.48Å; I937-R970 HydrophobicContact CD1-CB 4.21Å; I937-R970 HydrophobicContact CG1-CB 4.07Å; I937-I1006 HydrophobicContact CD1-CD1 3.8Å; I937-I1006 HydrophobicContact CG2-CG2 4.41Å
938M97.5Very high89.2Confident0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-97.2126172.8-171.3177.6-170.900109.1V912 G914 A919 Y920 I923 Q940 M964 R970 I971 G972V912-M938 CarbonylContact O-C 3.6Å; V912-M938 WeakPolarHBondContact O-CA 3.5Å; G914-M938 WeakPolarHBondContact O-CE 3.31Å; A919-M938 HydrophobicContact CB-CE 3.9Å; Y920-M938 HydrophobicContact CD1-CE 4.28Å; Y920-M938 HydrophobicContact CD1-SD 4.33Å; Y920-M938 HydrophobicContact CD2-CE 4.08Å; Y920-M938 HydrophobicContact CE1-CE 3.94Å; Y920-M938 HydrophobicContact CE1-SD 3.95Å; Y920-M938 HydrophobicContact CE2-CE 3.72Å; Y920-M938 HydrophobicContact CG-CE 4.35Å; I923-M938 HydrophobicContact CD1-CB 3.95Å; I923-M938 HydrophobicContact CD1-CG 4.05Å; I923-M938 HydrophobicContact CD1-SD 3.77Å; M938-Q940 HydrophobicContact CE-CG 4.09Å; M938-Q940 HydrophobicContact CG-CG 4.25Å; M938-Q940 HydrophobicContact SD-CG 4.4Å; M938-M964 HydrophobicContact CB-CE 4.35Å; M938-M964 HydrophobicContact SD-CE 3.89Å; M938-R970 PolarHBondContact N-O 3.18Å; M938-I971 HydrophobicContact CB-CG1 4.5Å; M938-I971 HydrophobicContact CB-CG2 4.47Å; M938-I971 CarbonylContact O-C 3.57Å; M938-I971 VanDerWaalsContact O-CA 3.32Å; M938-I971 WeakPolarHBondContact O-CA 3.5Å; M938-G972 PolarHBondContact O-N 2.95Å
939I96.8Very high88.6Confident0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-115.7113.3175.9-58.9-63.6000108.3L890 I911 V912 Y913 G914 I937 F975 F997 L1004 I1006L890-I939 HydrophobicContact CD1-CD1 4.44Å; I911-I939 HydrophobicContact CG2-CG1 4.07Å; V912-I939 PolarHBondContact O-N 2.67Å; Y913-I939 CarbonylContact C-O 3.53Å; Y913-I939 VanDerWaalsContact CA-O 3.31Å; Y913-I939 WeakPolarHBondContact CA-O 3.4Å; Y913-I939 HydrophobicContact CD2-CB 4.08Å; Y913-I939 HydrophobicContact CD2-CG2 3.86Å; Y913-I939 WeakPolarHBondContact CD2-O 3.31Å; Y913-I939 HydrophobicContact CE2-CG2 4.17Å; G914-I939 PolarHBondContact N-O 3.15Å; I937-I939 HydrophobicContact CD1-CD1 3.87Å; I937-I939 HydrophobicContact CG1-CD1 3.84Å; I937-I939 HydrophobicContact CG1-CG1 4.28Å; I939-F975 HydrophobicContact CG2-CB 3.48Å; I939-F975 VanDerWaalsContact CG2-CB 3.48Å; I939-F975 HydrophobicContact CG2-CD2 4.4Å; I939-F975 HydrophobicContact CG2-CG 4.23Å; I939-F997 HydrophobicContact CB-CE1 4.26Å; I939-F997 HydrophobicContact CB-CZ 4.24Å; I939-F997 HydrophobicContact CG1-CD2 4.46Å; I939-F997 HydrophobicContact CG1-CE2 4.04Å; I939-F997 HydrophobicContact CG1-CZ 4.09Å; I939-F997 HydrophobicContact CG2-CD1 3.74Å; I939-F997 HydrophobicContact CG2-CD2 4.46Å; I939-F997 HydrophobicContact CG2-CE1 3.79Å; I939-F997 HydrophobicContact CG2-CE2 4.49Å; I939-F997 HydrophobicContact CG2-CG 4.11Å; I939-F997 HydrophobicContact CG2-CZ 4.17Å; I939-L1004 HydrophobicContact CD1-CD2 4.46Å; I939-I1006 HydrophobicContact CD1-CD1 3.91Å; I939-I1006 HydrophobicContact CG1-CD1 4.24Å
940Q94.9Very high88.3Confident14 Ų1436.9 Ų36.97%0.06520%0.199CC..PPolyproline II helixtrans-96.3121.8-179.4-61.9-171.3-2.500109.8Y920 M938 I971 G972 Y973 D974 F975Y920-Q940 PolarHBondContact OH-NE2 2.99Å; M938-Q940 HydrophobicContact CE-CG 4.09Å; M938-Q940 HydrophobicContact CG-CG 4.25Å; M938-Q940 HydrophobicContact SD-CG 4.4Å; Q940-I971 HydrophobicContact CG-CG2 4.46Å; Q940-G972 PolarHBondContact N-O 2.98Å; Q940-Y973 HydrophobicContact CB-CD1 4.44Å; Q940-Y973 CarbonylContact O-C 3.57Å; Q940-D974 PolarHBondContact O-N 3.14Å; Q940-F975 PolarHBondContact O-N 3.37Å; Q940-F975 VanDerWaalsContact O-N 3.15Å
941P92Very high88.2Confident3 Ų335 Ų352%0.01918%0.178CC..PPolyproline II helixtrans-70.3163.4167.825.5-28.9000111.8Y913 Y915 F975 H1015Y913-P941 HydrophobicContact CE1-CG 4.3Å; Y913-P941 HydrophobicContact CE2-CB 4.17Å; Y913-P941 HydrophobicContact CE2-CG 4.22Å; Y913-P941 WeakPolarHBondContact OH-CB 3.49Å; Y915-P941 HydrophobicContact CD1-CG 3.84Å; Y915-P941 HydrophobicContact CE1-CG 4.02Å; P941-F975 VanDerWaalsContact CA-O 3.31Å; P941-F975 WeakPolarHBondContact CA-O 3.35Å; P941-H1015 HydrophobicContact CG-CB 4.4Å; P941-H1015 WeakPolarHBondContact CG-CD2 3.44Å; P941-H1015 WeakPolarHBondContact CG-NE2 3.4Å
942P88.2Confident87.5Confident14 Ų1436.3 Ų36.39%0.09119%0.185CC..PPolyproline II helixtrans-58.9147.1175.8-16.927.5000111.7Y755 D974 I976Y755-P942 HydrophobicContact CD1-CB 3.66Å; Y755-P942 HydrophobicContact CD1-CG 4.31Å; Y755-P942 VanDerWaalsContact CD1-O 3.24Å; Y755-P942 WeakPolarHBondContact CD1-O 3.4Å; Y755-P942 HydrophobicContact CE1-CB 4.12Å; Y755-P942 HydrophobicContact CE1-CG 4.38Å; Y755-P942 VanDerWaalsContact CE1-O 3.26Å; Y755-P942 WeakPolarHBondContact CE1-O 3.44Å; Y755-P942 HydrophobicContact CG-CB 4.08Å; P942-D974 WeakPolarHBondContact CA-OD1 3.23Å; P942-D974 HydrophobicContact CG-CB 4.22Å; P942-I976 HydrophobicContact CG-CD1 4.4Å; P942-I976 HydrophobicContact CG-CG1 4.1Å
943E83.1Confident87.1Confident76 Ų7632.2 Ų32.236%0.35516%0.164SC..PPolyproline II helixtrans-67.7136.1-180-67.5-173175.700111.8Y755 N756Y755-E943 WeakPolarHBondContact CA-O 3.42Å; N756-E943 PolarHBondContact N-O 2.93Å
944M80Confident86.6Confident13 Ų1334.1 Ų34.16%0.06418%0.176CC..BIsolated β-bridgetrans-88.4143.4177.9-79.2171.2-75.300112.8F753 Y754 Y755 Y915 H946 Y947 H1015 V1016F753-M944 HydrophobicContact CB-CG 4.38Å; F753-M944 HydrophobicContact CB-SD 4Å; F753-M944 HydrophobicContact CD1-SD 3.49Å; F753-M944 WeakPolarHBondContact CD1-SD 3.46Å; F753-M944 HydrophobicContact CE1-SD 4.17Å; F753-M944 HydrophobicContact CG-SD 3.83Å; Y754-M944 CarbonylContact O-C 3.54Å; Y754-M944 WeakPolarHBondContact O-CA 3.42Å; Y755-M944 HydrophobicContact CD1-CG 3.8Å; Y755-M944 HydrophobicContact CE1-CG 3.77Å; Y915-M944 HydrophobicContact CE1-CE 4.43Å; Y915-M944 VanDerWaalsContact OH-CE 3.22Å; Y915-M944 WeakPolarHBondContact OH-CE 3.46Å; M944-H946 PolarHBondContact O-N 3.1Å; M944-Y947 PolarHBondContact O-N 2.79Å; M944-Y947 VanDerWaalsContact O-N 3.13Å; M944-H1015 VanDerWaalsContact CE-NE2 3.26Å; M944-H1015 WeakPolarHBondContact CE-NE2 3.27Å; M944-V1016 HydrophobicContact CE-CG2 3.22Å; M944-V1016 HydrophobicContact SD-CG2 3.86Å
945K74.2Confident86.2Confident78 Ų7832.3 Ų32.334%0.33917%0.167SC..THydrogen-bonded Turntrans-54.1130.2170.2-78.8179.3178.1-173.30110.6Y754 Y755 N756 N780 Y947Y754-K945 PolarHBondContact O-N 3.39Å; Y755-K945 WeakPolarHBondContact O-CE 3.15Å; N756-K945 WeakPolarHBondContact OD1-CA 3.35Å; N756-K945 WeakPolarHBondContact OD1-CG 3.49Å; N780-K945 PolarHBondContact OD1-NZ 2.81Å; K945-Y947 PolarHBondContact O-N 2.82Å; K945-Y947 VanDerWaalsContact O-N 3.16Å
946H71.5Confident86.1Confident131 Ų13129.9 Ų29.961%0.60616%0.158SC*.THydrogen-bonded Turntrans61.99.7-179.2-50.6-65.9000115.9M944 Y1068M944-H946 PolarHBondContact O-N 3.1Å; H946-Y1068 HydrophobicContact CB-CE1 4.29Å; H946-Y1068 AromaticContact CD2-CE1 3.97Å; H946-Y1068 AromaticContact CD2-CZ 3.86Å
947Y75Confident85.8Confident53 Ų5330.8 Ų30.821%0.20816%0.163CC..PPolyproline II helixtrans-93.3132.8170.9-150.1-98.7000109.4Y915 T916 M944 K945Y915-Y947 AromaticContact CE2-CD1 4Å; Y915-Y947 HydrophobicContact CE2-CD1 4Å; Y915-Y947 HydrophobicContact CE2-CE1 4.47Å; Y915-Y947 WeakPolarHBondContact OH-CD1 3.38Å; T916-Y947 HydrophobicContact CG2-CE1 4.35Å; M944-Y947 PolarHBondContact O-N 2.79Å; M944-Y947 VanDerWaalsContact O-N 3.13Å; K945-Y947 PolarHBondContact O-N 2.82Å; K945-Y947 VanDerWaalsContact O-N 3.16Å
948P78.4Confident85.4Confident57 Ų5736.3 Ų36.337%0.3718%0.183SC..PPolyproline II helixtrans-68.1143.6-178.627.5-33.7000111.2C1137P948-C1137 HydrophobicContact CB-CB 4.5Å
949P84.3Confident85Confident51 Ų5138.1 Ų38.133%0.33119%0.192SC..PPolyproline II helixtrans-64.1162.516730-35.2000110.3F951P949-F951 WeakPolarHBondContact CG-O 3.45Å; P949-F951 PolarHBondContact O-N 2.77Å
950A87.6Confident84.8Confident9 Ų938.1 Ų38.17%0.07419%0.192CC..SBendtrans-60.6-37173.700000112.4Y915 I917 Y920Y915-A950 WeakPolarHBondContact O-CB 3.4Å; I917-A950 VanDerWaalsContact CD1-O 3.23Å; I917-A950 WeakPolarHBondContact CD1-O 3.31Å; I917-A950 HydrophobicContact CG1-CB 4.04Å; I917-A950 WeakPolarHBondContact CG1-O 3.26Å; Y920-A950 HydrophobicContact CD2-CB 4.27Å; Y920-A950 HydrophobicContact CE2-CB 3.74Å
951F90.5Very high84.8Confident5 Ų538.1 Ų38.12%0.02219%0.192CC..  trans-126.5138.5-177.9-50.1-68000109.4I917 Y920 P949 S953 I956 Q957 I960 L1122 Y1128I917-F951 HydrophobicContact CG1-CE1 4.4Å; Y920-F951 HydrophobicContact CD1-CE2 4.32Å; Y920-F951 HydrophobicContact CD1-CZ 4.29Å; Y920-F951 AromaticContact CD2-CE2 3.94Å; Y920-F951 HydrophobicContact CD2-CE2 3.94Å; Y920-F951 AromaticContact CD2-CZ 3.8Å; Y920-F951 HydrophobicContact CD2-CZ 3.8Å; Y920-F951 AromaticContact CE1-CE2 3.98Å; Y920-F951 HydrophobicContact CE1-CE2 3.98Å; Y920-F951 HydrophobicContact CE1-CZ 4.42Å; Y920-F951 AromaticContact CE2-CE2 3.58Å; Y920-F951 HydrophobicContact CE2-CE2 3.58Å; Y920-F951 AromaticContact CE2-CZ 3.95Å; Y920-F951 HydrophobicContact CE2-CZ 3.95Å; Y920-F951 HydrophobicContact CG-CE2 4.29Å; Y920-F951 AromaticContact CG-CZ 3.99Å; Y920-F951 HydrophobicContact CG-CZ 3.99Å; Y920-F951 AromaticContact CZ-CE2 3.59Å; P949-F951 WeakPolarHBondContact CG-O 3.45Å; P949-F951 PolarHBondContact O-N 2.77Å; F951-S953 PolarHBondContact O-N 2.77Å; F951-I956 HydrophobicContact CB-CG2 4.1Å; F951-I956 HydrophobicContact CD1-CG2 3.97Å; F951-I956 HydrophobicContact CG-CG2 3.97Å; F951-Q957 HydrophobicContact CD2-CB 3.99Å; F951-Q957 HydrophobicContact CD2-CG 4.28Å; F951-I960 HydrophobicContact CD1-CD1 4.14Å; F951-I960 HydrophobicContact CD2-CD1 4.05Å; F951-I960 HydrophobicContact CE1-CD1 3.68Å; F951-I960 HydrophobicContact CE2-CD1 3.56Å; F951-I960 HydrophobicContact CG-CD1 4.32Å; F951-I960 HydrophobicContact CZ-CD1 3.38Å; F951-L1122 HydrophobicContact CE1-CD1 3.74Å; F951-L1122 HydrophobicContact CE1-CD2 4.25Å; F951-L1122 HydrophobicContact CZ-CD1 4.05Å; F951-L1122 HydrophobicContact CZ-CD2 4.23Å; F951-Y1128 HydrophobicContact CD1-CE1 4.34Å; F951-Y1128 HydrophobicContact CD1-CE2 4.13Å; F951-Y1128 AromaticContact CD1-CZ 3.89Å; F951-Y1128 HydrophobicContact CE1-CE1 4.48Å
952N80.6Confident84.7Confident31 Ų3144.7 Ų44.717%0.16622%0.22CC..SBendtrans-72.8-15.7178.765.3-23.7000113.9H1130 T1179N952-H1130 PolarHBondContact ND2-CE1 2.81Å; N952-T1179 PolarHBondContact ND2-OG1 3.45Å; N952-T1179 VanDerWaalsContact ND2-OG1 3.16Å
953S83Confident84.8Confident11 Ų1146.1 Ų46.18%0.07723%0.226CC..  trans-121.5126.6-177.2172.70000110.6F951 V955 I956 Q957F951-S953 PolarHBondContact O-N 2.77Å; S953-V955 PolarHBondContact O-N 3Å; S953-V955 PolarHBondContact OG-N 2.6Å; S953-I956 PolarHBondContact O-N 3.13Å; S953-Q957 PolarHBondContact O-N 3.25Å
954S83Confident85.3Confident47 Ų4742.5 Ų42.533%0.32921%0.209SC..Hα-helixtrans-64.6-27.1174.357.70000112.3Q957 R958S954-Q957 PolarHBondContact O-N 2.86Å; S954-R958 VanDerWaalsContact O-CB 3.32Å; S954-R958 WeakPolarHBondContact O-CB 3.41Å; S954-R958 PolarHBondContact O-N 3.31Å
955V84.6Confident85.9Confident33 Ų3346.3 Ų46.320%0.223%0.229CC..Hα-helixtrans-63-48.4175.3-178.80000110.4S953 R958 Q959 E1157S953-V955 PolarHBondContact O-N 3Å; S953-V955 PolarHBondContact OG-N 2.6Å; V955-R958 PolarHBondContact O-N 2.91Å; V955-Q959 WeakPolarHBondContact O-CG 3.19Å; V955-Q959 PolarHBondContact O-N 2.81Å; V955-E1157 HydrophobicContact CG1-CG 4.25Å
956I89.5Confident86.8Confident0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-60.8-48.7177.9-69.7177.9000110.4F951 S953 R958 Q959 I960 Y1128 Y1164 T1179 L1181F951-I956 HydrophobicContact CB-CG2 4.1Å; F951-I956 HydrophobicContact CD1-CG2 3.97Å; F951-I956 HydrophobicContact CG-CG2 3.97Å; S953-I956 PolarHBondContact O-N 3.13Å; I956-R958 VanDerWaalsContact C-N 3.32Å; I956-R958 PolarHBondContact O-N 2.74Å; I956-Q959 PolarHBondContact O-N 3.3Å; I956-I960 HydrophobicContact CG2-CD1 3.58Å; I956-I960 HydrophobicContact CG2-CG1 4.47Å; I956-I960 WeakPolarHBondContact O-CD1 3.24Å; I956-I960 VanDerWaalsContact O-CG1 3.29Å; I956-I960 WeakPolarHBondContact O-CG1 3.47Å; I956-I960 PolarHBondContact O-N 2.83Å; I956-Y1128 HydrophobicContact CD1-CE2 4.24Å; I956-Y1128 HydrophobicContact CG2-CE2 4.32Å; I956-Y1164 HydrophobicContact CD1-CD1 3.95Å; I956-Y1164 HydrophobicContact CD1-CE1 3.68Å; I956-Y1164 HydrophobicContact CG1-CD1 4.1Å; I956-Y1164 HydrophobicContact CG1-CE1 4.01Å; I956-T1179 HydrophobicContact CD1-CG2 3.39Å; I956-L1181 HydrophobicContact CG2-CD2 4.24Å
957Q90.7Very high87.9Confident21 Ų2146.1 Ų46.110%0.09823%0.229CC..Hα-helixtrans-57.3-46.7178.4-178.4170-62.200111.6F951 S953 S954 Q959 I960 H961F951-Q957 HydrophobicContact CD2-CB 3.99Å; F951-Q957 HydrophobicContact CD2-CG 4.28Å; S953-Q957 PolarHBondContact O-N 3.25Å; S954-Q957 PolarHBondContact O-N 2.86Å; Q957-Q959 PolarHBondContact O-N 3.1Å; Q957-I960 PolarHBondContact O-N 2.94Å; Q957-H961 PolarHBondContact O-CD2 3.18Å; Q957-H961 PolarHBondContact O-N 3.2Å
958R88.6Confident88.8Confident115 Ų11550.6 Ų50.643%0.43425%0.249SC..Hα-helixtrans-62.7-42178.8-170.2-177.3-59.9146.33.5112S954 V955 I956 H961 K962S954-R958 VanDerWaalsContact O-CB 3.32Å; S954-R958 WeakPolarHBondContact O-CB 3.41Å; S954-R958 PolarHBondContact O-N 3.31Å; V955-R958 PolarHBondContact O-N 2.91Å; I956-R958 VanDerWaalsContact C-N 3.32Å; I956-R958 PolarHBondContact O-N 2.74Å; R958-H961 PolarHBondContact O-N 2.98Å; R958-K962 VanDerWaalsContact O-CB 3.3Å; R958-K962 WeakPolarHBondContact O-CB 3.39Å; R958-K962 PolarHBondContact O-N 3.43Å
959Q88.9Confident89.7Confident39 Ų3948 Ų4818%0.18223%0.232CC..Hα-helixtrans-61.8-43.6176.5-75.3-179.7-14.300111.5V955 I956 Q957 K962 H963 E1157V955-Q959 WeakPolarHBondContact O-CG 3.19Å; V955-Q959 PolarHBondContact O-N 2.81Å; I956-Q959 PolarHBondContact O-N 3.3Å; Q957-Q959 PolarHBondContact O-N 3.1Å; Q959-K962 PolarHBondContact O-N 2.98Å; Q959-H963 WeakPolarHBondContact O-CB 3.28Å; Q959-H963 PolarHBondContact O-N 3.13Å; Q959-E1157 PolarHBondContact NE2-O 2.81Å
960I92.9Very high90.1Very high0 Ų050 Ų500%023%0.233CC..Hα-helixtrans-65.3-46.9177.5-64.8159000110.7Y920 F951 I956 Q957 K962 H963 M964 L1122 L1181Y920-I960 HydrophobicContact CD1-CG2 3.97Å; Y920-I960 HydrophobicContact CE1-CG2 4.08Å; F951-I960 HydrophobicContact CD1-CD1 4.14Å; F951-I960 HydrophobicContact CD2-CD1 4.05Å; F951-I960 HydrophobicContact CE1-CD1 3.68Å; F951-I960 HydrophobicContact CE2-CD1 3.56Å; F951-I960 HydrophobicContact CG-CD1 4.32Å; F951-I960 HydrophobicContact CZ-CD1 3.38Å; I956-I960 HydrophobicContact CG2-CD1 3.58Å; I956-I960 HydrophobicContact CG2-CG1 4.47Å; I956-I960 WeakPolarHBondContact O-CD1 3.24Å; I956-I960 VanDerWaalsContact O-CG1 3.29Å; I956-I960 WeakPolarHBondContact O-CG1 3.47Å; I956-I960 PolarHBondContact O-N 2.83Å; Q957-I960 PolarHBondContact O-N 2.94Å; I960-K962 PolarHBondContact O-N 2.83Å; I960-H963 CarbonylContact O-C 3.44Å; I960-H963 WeakPolarHBondContact O-CA 3.4Å; I960-H963 WeakPolarHBondContact O-CB 3.27Å; I960-H963 PolarHBondContact O-N 3.11Å; I960-H963 VanDerWaalsContact O-N 3.07Å; I960-M964 HydrophobicContact CG2-CG 4.31Å; I960-M964 HydrophobicContact CG2-SD 4Å; I960-M964 WeakPolarHBondContact O-CG 3.47Å; I960-M964 PolarHBondContact O-N 2.97Å; I960-L1122 HydrophobicContact CD1-CD1 3.58Å; I960-L1122 HydrophobicContact CG1-CD1 4.27Å; I960-L1181 HydrophobicContact CG1-CD2 4.47Å
961H93.7Very high90.5Very high14 Ų1449.6 Ų49.67%0.06523%0.23CC..Hα-helixtrans-63.1-41.3179.2-70.8-172.5000111.7Y920 Q957 R958 H963 M964 N965 I971 Y973Y920-H961 AromaticContact CE1-CD2 3.93Å; Y920-H961 AromaticContact CE1-NE2 3.68Å; Y920-H961 AromaticContact CZ-NE2 3.69Å; Y920-H961 PolarHBondContact OH-NE2 3.48Å; Q957-H961 PolarHBondContact O-CD2 3.18Å; Q957-H961 PolarHBondContact O-N 3.2Å; R958-H961 PolarHBondContact O-N 2.98Å; H961-H963 VanDerWaalsContact C-N 3.27Å; H961-H963 PolarHBondContact O-N 3.19Å; H961-M964 PolarHBondContact O-N 2.9Å; H961-N965 PolarHBondContact O-N 2.87Å; H961-I971 HydrophobicContact CB-CD1 4.02Å; H961-Y973 AromaticContact CE1-CE1 3.78Å; H961-Y973 PolarHBondContact CE1-OH 2.77Å; H961-Y973 AromaticContact ND1-CE1 4Å; H961-Y973 AromaticContact ND1-CZ 3.83Å; H961-Y973 PolarHBondContact ND1-OH 3.32Å
962K89.8Confident90.7Very high140 Ų14049.3 Ų49.361%0.60923%0.229SC*.Hα-helixtrans-58.2-40.5172.2-174.4177.3-176.91770111.3R958 Q959 I960 K966R958-K962 VanDerWaalsContact O-CB 3.3Å; R958-K962 WeakPolarHBondContact O-CB 3.39Å; R958-K962 PolarHBondContact O-N 3.43Å; Q959-K962 PolarHBondContact O-N 2.98Å; I960-K962 PolarHBondContact O-N 2.83Å; K962-K966 WeakPolarHBondContact O-CG 3.44Å; K962-K966 PolarHBondContact O-N 3.01Å
963H90.2Very high91.3Very high45 Ų4548.8 Ų48.821%0.20823%0.225CC..Hα-helixtrans-70.9-39.4177.6-157.685.9000112.6Q959 I960 H961 N965 K966 L967 P1123 G1124Q959-H963 WeakPolarHBondContact O-CB 3.28Å; Q959-H963 PolarHBondContact O-N 3.13Å; I960-H963 CarbonylContact O-C 3.44Å; I960-H963 WeakPolarHBondContact O-CA 3.4Å; I960-H963 WeakPolarHBondContact O-CB 3.27Å; I960-H963 PolarHBondContact O-N 3.11Å; I960-H963 VanDerWaalsContact O-N 3.07Å; H961-H963 VanDerWaalsContact C-N 3.27Å; H961-H963 PolarHBondContact O-N 3.19Å; H963-N965 VanDerWaalsContact C-N 3.34Å; H963-N965 PolarHBondContact O-N 3.04Å; H963-K966 WeakPolarHBondContact O-CB 3.25Å; H963-K966 PolarHBondContact O-N 2.58Å; H963-L967 WeakPolarHBondContact O-CG 3.49Å; H963-L967 PolarHBondContact O-N 3.38Å; H963-P1123 PolarHBondContact CD2-O 2.98Å; H963-G1124 WeakPolarHBondContact NE2-CA 3.4Å
964M95Very high91.6Very high0 Ų051.4 Ų51.40%024%0.238CC..Hα-helixtrans-61.1-41.8173.6-72.3177.565.800112.1Y920 I923 M938 I960 H961 K966 L967 K968 I969 I971 P1123Y920-M964 HydrophobicContact CD1-SD 3.84Å; Y920-M964 HydrophobicContact CE1-SD 3.85Å; I923-M964 HydrophobicContact CD1-CE 3.5Å; I923-M964 VanDerWaalsContact CD1-CE 3.5Å; M938-M964 HydrophobicContact CB-CE 4.35Å; M938-M964 HydrophobicContact SD-CE 3.89Å; I960-M964 HydrophobicContact CG2-CG 4.31Å; I960-M964 HydrophobicContact CG2-SD 4Å; I960-M964 WeakPolarHBondContact O-CG 3.47Å; I960-M964 PolarHBondContact O-N 2.97Å; H961-M964 PolarHBondContact O-N 2.9Å; M964-K966 VanDerWaalsContact C-N 3.32Å; M964-K966 PolarHBondContact O-N 3.19Å; M964-L967 CarbonylContact O-C 3.54Å; M964-L967 WeakPolarHBondContact O-CA 3.5Å; M964-L967 WeakPolarHBondContact O-CB 3.44Å; M964-L967 PolarHBondContact O-N 2.92Å; M964-L967 VanDerWaalsContact O-N 3.08Å; M964-K968 PolarHBondContact O-N 3.42Å; M964-I969 HydrophobicContact CB-CB 4.27Å; M964-I969 HydrophobicContact CB-CD1 4.3Å; M964-I969 HydrophobicContact CE-CB 4.38Å; M964-I969 HydrophobicContact CE-CD1 4.47Å; M964-I969 HydrophobicContact CE-CG2 3.69Å; M964-I969 HydrophobicContact CG-CD1 4.32Å; M964-I969 WeakPolarHBondContact O-CB 3.04Å; M964-I969 PolarHBondContact O-N 3.35Å; M964-I971 HydrophobicContact CB-CD1 4.23Å; M964-I971 HydrophobicContact CE-CD1 3.97Å; M964-I971 HydrophobicContact CE-CG1 4.15Å; M964-I971 HydrophobicContact SD-CD1 4.1Å; M964-P1123 HydrophobicContact CG-CB 3.71Å; M964-P1123 HydrophobicContact CG-CG 4.01Å; M964-P1123 HydrophobicContact SD-CB 4.42Å; M964-P1123 HydrophobicContact SD-CG 4.06Å
965N92.4Very high92.1Very high92 Ų9249.2 Ų49.249%0.49222%0.222SC..Hα-helixtrans-61.9-39.2174.6-71.2-15.6000111.7H961 H963 L967 K968 I969H961-N965 PolarHBondContact O-N 2.87Å; H963-N965 VanDerWaalsContact C-N 3.34Å; H963-N965 PolarHBondContact O-N 3.04Å; N965-L967 VanDerWaalsContact C-N 3.28Å; N965-L967 PolarHBondContact O-N 2.71Å; N965-K968 WeakPolarHBondContact O-CA 3.43Å; N965-K968 PolarHBondContact O-N 3.05Å; N965-I969 PolarHBondContact OD1-O 2.92Å
966K92.1Very high92.2Very high148 Ų14848.8 Ų48.864%0.64322%0.219SC*.Hα-helixtrans-61.5-36172.6-70.4176.5178.7-174.20112.4K962 H963 M964 K968K962-K966 WeakPolarHBondContact O-CG 3.44Å; K962-K966 PolarHBondContact O-N 3.01Å; H963-K966 WeakPolarHBondContact O-CB 3.25Å; H963-K966 PolarHBondContact O-N 2.58Å; M964-K966 VanDerWaalsContact C-N 3.32Å; M964-K966 PolarHBondContact O-N 3.19Å; K966-K968 PolarHBondContact O-N 3.43Å
967L94.9Very high92.2Very high57 Ų5748.8 Ų48.830%0.29822%0.219SC..THydrogen-bonded Turntrans-76.26.3173.4-63.9172000113L927 G933 H963 M964 N965 I969 P1123L927-L967 HydrophobicContact CD1-CD1 3.93Å; G933-L967 VanDerWaalsContact CA-O 3.27Å; G933-L967 WeakPolarHBondContact CA-O 3.46Å; H963-L967 WeakPolarHBondContact O-CG 3.49Å; H963-L967 PolarHBondContact O-N 3.38Å; M964-L967 CarbonylContact O-C 3.54Å; M964-L967 WeakPolarHBondContact O-CA 3.5Å; M964-L967 WeakPolarHBondContact O-CB 3.44Å; M964-L967 PolarHBondContact O-N 2.92Å; M964-L967 VanDerWaalsContact O-N 3.08Å; N965-L967 VanDerWaalsContact C-N 3.28Å; N965-L967 PolarHBondContact O-N 2.71Å; L967-I969 HydrophobicContact CB-CD1 3.91Å; L967-I969 HydrophobicContact CB-CG1 4.2Å; L967-I969 HydrophobicContact CD1-CD1 4.3Å; L967-I969 PolarHBondContact O-N 3.28Å; L967-P1123 HydrophobicContact CD1-CB 4.43Å
968K94.3Very high91.9Very high147 Ų14748.7 Ų48.764%0.63922%0.219SC*.THydrogen-bonded Turntrans63.820.7-178.8-53.3179.3179178.60114.2G933 N934 M964 N965 K966G933-K968 CarbonylContact C-O 3.51Å; N934-K968 WeakPolarHBondContact CA-O 3.33Å; N934-K968 HydrophobicContact CB-CB 4.07Å; M964-K968 PolarHBondContact O-N 3.42Å; N965-K968 WeakPolarHBondContact O-CA 3.43Å; N965-K968 PolarHBondContact O-N 3.05Å; K966-K968 PolarHBondContact O-N 3.43Å
969I96.2Very high91.6Very high2 Ų246.4 Ų46.41%0.0121%0.213CC..  trans-81.2130.6174.8-58.5159.9000108.4I923 L927 G933 I936 M964 N965 L967I923-I969 HydrophobicContact CG2-CD1 3.66Å; L927-I969 HydrophobicContact CD1-CD1 4.12Å; L927-I969 HydrophobicContact CD2-CD1 4.39Å; G933-I969 WeakPolarHBondContact O-CA 3.33Å; I936-I969 HydrophobicContact CB-CG1 4.47Å; I936-I969 HydrophobicContact CB-CG2 4.37Å; I936-I969 HydrophobicContact CG2-CG2 4.17Å; M964-I969 HydrophobicContact CB-CB 4.27Å; M964-I969 HydrophobicContact CB-CD1 4.3Å; M964-I969 HydrophobicContact CE-CB 4.38Å; M964-I969 HydrophobicContact CE-CD1 4.47Å; M964-I969 HydrophobicContact CE-CG2 3.69Å; M964-I969 HydrophobicContact CG-CD1 4.32Å; M964-I969 WeakPolarHBondContact O-CB 3.04Å; M964-I969 PolarHBondContact O-N 3.35Å; N965-I969 PolarHBondContact OD1-O 2.92Å; L967-I969 HydrophobicContact CB-CD1 3.91Å; L967-I969 HydrophobicContact CB-CG1 4.2Å; L967-I969 HydrophobicContact CD1-CD1 4.3Å; L967-I969 PolarHBondContact O-N 3.28Å
970R94.1Very high91.4Very high93 Ų9347.1 Ų47.135%0.35121%0.214SC..EExtended strand (participates in β ladder)trans-90.5143179.1-60.2175.1-176.4164.1-2.3110.5L890 I936 I937 M938L890-R970 HydrophobicContact CD2-CB 4.03Å; I936-R970 PolarHBondContact O-N 3.32Å; I937-R970 WeakPolarHBondContact CA-O 3.4Å; I937-R970 HydrophobicContact CB-CB 4.48Å; I937-R970 HydrophobicContact CD1-CB 4.21Å; I937-R970 HydrophobicContact CG1-CB 4.07Å; M938-R970 PolarHBondContact N-O 3.18Å
971I95.4Very high90.7Very high1 Ų149.5 Ų49.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-125.6125.6179.3-48.5177.3000109.7S886 M938 Q940 H961 M964 Y973S886-I971 PolarHBondContact OG-O 2.92Å; M938-I971 HydrophobicContact CB-CG1 4.5Å; M938-I971 HydrophobicContact CB-CG2 4.47Å; M938-I971 CarbonylContact O-C 3.57Å; M938-I971 VanDerWaalsContact O-CA 3.32Å; M938-I971 WeakPolarHBondContact O-CA 3.5Å; Q940-I971 HydrophobicContact CG-CG2 4.46Å; H961-I971 HydrophobicContact CB-CD1 4.02Å; M964-I971 HydrophobicContact CB-CD1 4.23Å; M964-I971 HydrophobicContact CE-CD1 3.97Å; M964-I971 HydrophobicContact CE-CG1 4.15Å; M964-I971 HydrophobicContact SD-CD1 4.1Å; I971-Y973 HydrophobicContact CB-CE2 4.19Å; I971-Y973 HydrophobicContact CG2-CD1 4.42Å; I971-Y973 HydrophobicContact CG2-CD2 4.47Å; I971-Y973 HydrophobicContact CG2-CE1 3.79Å; I971-Y973 HydrophobicContact CG2-CE2 3.84Å; I971-Y973 VanDerWaalsContact CG2-CZ 3.47Å
972G94.1Very high89.7Confident0 Ų051.9 Ų51.90%024%0.244CC..EExtended strand (participates in β ladder)trans-109.4141.317000000110.7M938 Q940M938-G972 PolarHBondContact O-N 2.95Å; Q940-G972 PolarHBondContact N-O 2.98Å
973Y93.2Very high88.1Confident20 Ų2047 Ų478%0.07823%0.227CC..  trans-116.4152-177.2-57.1-87.1000111.4K883 N887 Q940 H961 I971 F975K883-Y973 HydrophobicContact CB-CD2 3.93Å; K883-Y973 HydrophobicContact CB-CG 4.08Å; K883-Y973 HydrophobicContact CD-CD1 4.23Å; K883-Y973 HydrophobicContact CD-CG 4.19Å; K883-Y973 HydrophobicContact CG-CD1 3.94Å; K883-Y973 HydrophobicContact CG-CD2 3.78Å; K883-Y973 HydrophobicContact CG-CE1 4.28Å; K883-Y973 HydrophobicContact CG-CE2 4.14Å; K883-Y973 HydrophobicContact CG-CG 3.65Å; N887-Y973 PolarHBondContact ND2-O 3.39Å; N887-Y973 PolarHBondContact OD1-N 2.69Å; N887-Y973 PolarHBondContact OD1-O 2.76Å; Q940-Y973 HydrophobicContact CB-CD1 4.44Å; Q940-Y973 CarbonylContact O-C 3.57Å; H961-Y973 AromaticContact CE1-CE1 3.78Å; H961-Y973 PolarHBondContact CE1-OH 2.77Å; H961-Y973 AromaticContact ND1-CE1 4Å; H961-Y973 AromaticContact ND1-CZ 3.83Å; H961-Y973 PolarHBondContact ND1-OH 3.32Å; I971-Y973 HydrophobicContact CB-CE2 4.19Å; I971-Y973 HydrophobicContact CG2-CD1 4.42Å; I971-Y973 HydrophobicContact CG2-CD2 4.47Å; I971-Y973 HydrophobicContact CG2-CE1 3.79Å; I971-Y973 HydrophobicContact CG2-CE2 3.84Å; I971-Y973 VanDerWaalsContact CG2-CZ 3.47Å; Y973-F975 WeakPolarHBondContact O-CD2 3.36Å; Y973-F975 WeakPolarHBondContact O-CE2 3.38Å; Y973-F975 PolarHBondContact O-N 3.1Å
974D91Very high86.1Confident66 Ų6650.9 Ų50.935%0.35325%0.249SC..SBendtrans55.836.4174.1-52.8-50.6000114.1Q940 P942 S999Q940-D974 PolarHBondContact O-N 3.14Å; P942-D974 WeakPolarHBondContact CA-OD1 3.23Å; P942-D974 HydrophobicContact CG-CB 4.22Å; D974-S999 VanDerWaalsContact O-CB 3.25Å; D974-S999 WeakPolarHBondContact O-CB 3.46Å; D974-S999 PolarHBondContact O-OG 3.21Å
975F91.5Very high83.7Confident0 Ų060.1 Ų60.10%030%0.295CS..  trans-105.1121.6177.7-79.8-73.4000110.8N887 L890 H891 Y913 I939 Q940 P941 Y973 F997 S999 L1004N887-F975 HydrophobicContact CB-CE2 4.26Å; N887-F975 HydrophobicContact CB-CZ 4.38Å; N887-F975 WeakPolarHBondContact OD1-CE2 3.43Å; L890-F975 HydrophobicContact CD1-CE2 4.32Å; H891-F975 AromaticContact NE2-CE1 3.87Å; H891-F975 AromaticContact NE2-CZ 3.82Å; Y913-F975 WeakPolarHBondContact CE2-O 3.1Å; I939-F975 HydrophobicContact CG2-CB 3.48Å; I939-F975 VanDerWaalsContact CG2-CB 3.48Å; I939-F975 HydrophobicContact CG2-CD2 4.4Å; I939-F975 HydrophobicContact CG2-CG 4.23Å; Q940-F975 PolarHBondContact O-N 3.37Å; Q940-F975 VanDerWaalsContact O-N 3.15Å; P941-F975 VanDerWaalsContact CA-O 3.31Å; P941-F975 WeakPolarHBondContact CA-O 3.35Å; Y973-F975 WeakPolarHBondContact O-CD2 3.36Å; Y973-F975 WeakPolarHBondContact O-CE2 3.38Å; Y973-F975 PolarHBondContact O-N 3.1Å; F975-F997 HydrophobicContact CB-CB 4Å; F975-F997 HydrophobicContact CB-CD1 4.46Å; F975-F997 HydrophobicContact CB-CG 4.44Å; F975-F997 HydrophobicContact CD1-CB 3.84Å; F975-F997 HydrophobicContact CG-CB 4.23Å; F975-S999 VanDerWaalsContact CD1-CB 3.49Å; F975-L1004 HydrophobicContact CD1-CB 4.34Å; F975-L1004 HydrophobicContact CD1-CD2 4.39Å; F975-L1004 HydrophobicContact CE1-CB 3.8Å; F975-L1004 HydrophobicContact CE1-CD2 3.9Å; F975-L1004 HydrophobicContact CE1-CG 4.49Å; F975-L1004 HydrophobicContact CE2-CD2 4.16Å; F975-L1004 HydrophobicContact CZ-CB 4.4Å; F975-L1004 HydrophobicContact CZ-CD2 3.78Å
976I88.4Confident81.6Confident24 Ų2464.7 Ų64.712%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-92.6129.2174.2-61.7175.6000108.8Y755 F785 P942 D978 F997 N998Y755-I976 HydrophobicContact CE2-CD1 4.04Å; F785-I976 HydrophobicContact CE1-CG2 3.96Å; F785-I976 HydrophobicContact CZ-CG2 3.66Å; P942-I976 HydrophobicContact CG-CD1 4.4Å; P942-I976 HydrophobicContact CG-CG1 4.1Å; I976-D978 PolarHBondContact O-N 2.74Å; I976-F997 CarbonylContact O-C 3.56Å; I976-F997 WeakPolarHBondContact O-CA 3.34Å; I976-N998 PolarHBondContact N-O 3.45Å; I976-N998 PolarHBondContact O-N 3.1Å
977L88.5Confident79.3Confident1 Ų160.4 Ų60.41%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-59.2118.9172.1177.966000110.4P732 Y913 W980 V995 F997 Y1013P732-L977 WeakPolarHBondContact CD-O 3.36Å; Y913-L977 HydrophobicContact CE1-CB 4.08Å; Y913-L977 HydrophobicContact CE2-CB 4.02Å; Y913-L977 PolarHBondContact OH-N 3.23Å; Y913-L977 VanDerWaalsContact OH-N 3.09Å; L977-W980 HydrophobicContact CD2-CE3 4.34Å; L977-W980 HydrophobicContact CD2-CZ3 4.09Å; L977-V995 HydrophobicContact CD1-CG1 3.31Å; L977-F997 HydrophobicContact CB-CD1 4.18Å; L977-F997 HydrophobicContact CB-CE1 4.06Å; L977-F997 HydrophobicContact CD1-CD1 4.13Å; L977-F997 HydrophobicContact CD1-CE1 3.65Å; L977-F997 HydrophobicContact CD1-CZ 4.14Å; L977-F997 HydrophobicContact CG-CE1 4.46Å; L977-Y1013 HydrophobicContact CD2-CD2 4.26Å; L977-Y1013 HydrophobicContact CD2-CE2 3.82Å
978D84.3Confident77.1Confident19 Ų1963.5 Ų63.510%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-100.9-55.3-174.9-179.548.2000111.6K735 I976 T996 N998 F1003K735-D978 WeakPolarHBondContact CD-O 3.37Å; K735-D978 VanDerWaalsContact CE-OD1 3.25Å; K735-D978 WeakPolarHBondContact CE-OD1 3.32Å; K735-D978 IonicContact NZ-OD1 2.66Å; K735-D978 PolarHBondContact NZ-OD1 3.42Å; K735-D978 IonicContact NZ-OD2 2.83Å; K735-D978 PolarHBondContact NZ-OD2 2.93Å; I976-D978 PolarHBondContact O-N 2.74Å; D978-T996 WeakPolarHBondContact CB-O 3.33Å; D978-T996 PolarHBondContact N-O 3.49Å; D978-N998 HydrophobicContact CB-CB 4.09Å; D978-F1003 VanDerWaalsContact OD2-CE1 3.27Å; D978-F1003 WeakPolarHBondContact OD2-CE1 3.4Å
979H82.6Confident75.3Confident67 Ų6759.3 Ų59.331%0.3132%0.318SS..EExtended strand (participates in β ladder)trans-160.9177.6170.170.5101.2000112.6K735 T996K735-H979 HydrophobicContact CD-CB 4.31Å; K735-H979 PolarHBondContact NZ-CD2 3.45Å; H979-T996 PolarHBondContact N-O 3.35Å; H979-T996 PolarHBondContact O-N 3.39Å
980W84.6Confident74.2Confident53 Ų5366.2 Ų66.220%0.20135%0.348CS..EExtended strand (participates in β ladder)trans-133.5158.1168.160.274.5000110.8V729 L788 L798 L977 I992 T994 V995 L1011V729-W980 HydrophobicContact CG1-CH2 3.79Å; V729-W980 HydrophobicContact CG1-CZ3 3.83Å; L788-W980 HydrophobicContact CD1-CH2 3.83Å; L788-W980 HydrophobicContact CD1-CZ2 4.39Å; L788-W980 HydrophobicContact CD2-CZ2 4.49Å; L798-W980 HydrophobicContact CD2-CH2 3.87Å; L798-W980 HydrophobicContact CD2-CZ2 4.02Å; L798-W980 HydrophobicContact CD2-CZ3 4.29Å; L977-W980 HydrophobicContact CD2-CE3 4.34Å; L977-W980 HydrophobicContact CD2-CZ3 4.09Å; W980-I992 HydrophobicContact CB-CD1 4.32Å; W980-I992 HydrophobicContact CB-CG1 4.4Å; W980-I992 HydrophobicContact CB-CG2 3.73Å; W980-I992 HydrophobicContact CD2-CD1 4.07Å; W980-I992 HydrophobicContact CG-CD1 3.9Å; W980-I992 HydrophobicContact CG-CG1 4.05Å; W980-I992 HydrophobicContact CG-CG2 4.29Å; W980-T994 CarbonylContact C-O 3.52Å; W980-T994 VanDerWaalsContact CA-O 3.26Å; W980-T994 WeakPolarHBondContact CA-O 3.3Å; W980-T994 WeakPolarHBondContact CB-O 3.39Å; W980-V995 HydrophobicContact CB-CG2 4.14Å; W980-L1011 HydrophobicContact CE3-CD2 4.48Å
981C79.3Confident73.6Confident51 Ų5163.6 Ų63.635%0.34534%0.341SS..EExtended strand (participates in β ladder)trans-118.2141.4177.7-57.10000111.2E993 T994C981-E993 PolarHBondContact O-N 2.95Å; C981-T994 WeakPolarHBondContact CB-OG1 3.29Å; C981-T994 PolarHBondContact N-O 3.32Å; C981-T994 PolarHBondContact O-N 3.4Å
982N72.8Confident73.2Confident64 Ų6463.6 Ų63.634%0.34234%0.341SS..EExtended strand (participates in β ladder)trans-112.5147.3172.1-60.74.2000108.1F990N982-F990 PolarHBondContact ND2-O 3.16Å
983S56.1Low72.8Confident36 Ų3667.3 Ų67.325%0.25236%0.358SS..  trans-66.5159.6174.3340000112.6M985 E993S983-M985 PolarHBondContact O-N 3.48Å; S983-E993 WeakPolarHBondContact CB-OE1 3.32Å; S983-E993 VanDerWaalsContact OG-CD 3.28Å; S983-E993 PolarHBondContact OG-OE1 2.95Å
984N48.1Very low72.6Confident127 Ų12768.2 Ų68.268%0.67937%0.366SS*.  trans-22.8126.1-180-63.8-12.4000114.3E986 S987N984-E986 PolarHBondContact O-N 2.98Å; N984-S987 PolarHBondContact O-N 3.5Å; N984-S987 PolarHBondContact O-OG 2.92Å
985M44.9Very low72.6Confident195 Ų19565 Ų6596%0.96135%0.349SS*.THydrogen-bonded Turntrans-47.1-5.6176.1-72.8-93.1-172.100116.1S983S983-M985 PolarHBondContact O-N 3.48Å
986E46.9Very low72.5Confident187 Ų18765.3 Ų65.387%0.87435%0.351SS*.THydrogen-bonded Turntrans-88.3-18.2179.1-61.5-177.6170.100113.3N984N984-E986 PolarHBondContact O-N 2.98Å
987S43.4Very low72.7Confident58 Ų5864.2 Ų64.241%0.40635%0.345SS..SBendtrans-88.4135.7179.9-31.90000110.3N984 S989N984-S987 PolarHBondContact O-N 3.5Å; N984-S987 PolarHBondContact O-OG 2.92Å; S987-S989 PolarHBondContact O-N 3.31Å
988S50.5Low72.6Confident123 Ų12366.4 Ų66.486%0.8636%0.357SS*.SBendtrans-65.7-7.6178.954.20000114.9
989S56.4Low72.8Confident59 Ų5966.3 Ų66.341%0.41336%0.357SS..  trans-96.3111.4-179.460.20000112.1S987 D991S987-S989 PolarHBondContact O-N 3.31Å; S989-D991 PolarHBondContact O-N 3.47Å; S989-D991 VanDerWaalsContact O-N 3.13Å
990F71.9Confident72.7Confident146 Ų14670.4 Ų70.464%0.6438%0.381SS*.  trans-80.130174.7-69.9-86.4000113.8P795 N982P795-F990 VanDerWaalsContact CA-O 3.23Å; P795-F990 WeakPolarHBondContact CA-O 3.36Å; P795-F990 WeakPolarHBondContact CB-O 3.46Å; N982-F990 PolarHBondContact ND2-O 3.16Å
991D82.4Confident72.4Confident39 Ų3970.3 Ų70.321%0.20940%0.397CS..  trans-80.4146-174.2-78.6-8.9000113.1S796 N797 R813 S989 E993S796-D991 VanDerWaalsContact CB-OD1 3.31Å; S796-D991 WeakPolarHBondContact CB-OD1 3.21Å; S796-D991 PolarHBondContact N-OD1 2.87Å; S796-D991 PolarHBondContact OG-OD1 3.24Å; N797-D991 PolarHBondContact N-OD1 3.44Å; R813-D991 IonicContact NH2-OD1 3.62Å; R813-D991 IonicContact NH2-OD2 3.96Å; R813-D991 PolarHBondContact NH2-OD2 3.38Å; S989-D991 PolarHBondContact O-N 3.47Å; S989-D991 VanDerWaalsContact O-N 3.13Å; D991-E993 PolarHBondContact O-N 3.06Å
992I86.4Confident72.7Confident1 Ų174.6 Ų74.61%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-71.7123.9174-59.5174000108.8P795 N797 L798 W980 T994 V995 C1008 L1011P795-I992 HydrophobicContact CB-CD1 3.95Å; P795-I992 HydrophobicContact CB-CG1 3.52Å; P795-I992 HydrophobicContact CG-CD1 3.97Å; P795-I992 HydrophobicContact CG-CG1 3.65Å; N797-I992 PolarHBondContact ND2-O 2.72Å; N797-I992 PolarHBondContact OD1-N 2.85Å; L798-I992 HydrophobicContact CB-CD1 3.87Å; L798-I992 HydrophobicContact CD1-CD1 4.43Å; L798-I992 HydrophobicContact CD2-CD1 4.21Å; L798-I992 HydrophobicContact CG-CD1 4.33Å; W980-I992 HydrophobicContact CB-CD1 4.32Å; W980-I992 HydrophobicContact CB-CG1 4.4Å; W980-I992 HydrophobicContact CB-CG2 3.73Å; W980-I992 HydrophobicContact CD2-CD1 4.07Å; W980-I992 HydrophobicContact CG-CD1 3.9Å; W980-I992 HydrophobicContact CG-CG1 4.05Å; W980-I992 HydrophobicContact CG-CG2 4.29Å; I992-T994 WeakPolarHBondContact CG2-O 3.37Å; I992-V995 HydrophobicContact CG2-CG2 3.62Å; I992-C1008 HydrophobicContact CG2-CB 3.95Å; I992-L1011 HydrophobicContact CD1-CB 4.41Å; I992-L1011 HydrophobicContact CD1-CD2 4.2Å
993E85.9Confident73.4Confident77 Ų7777.1 Ų77.136%0.3642%0.418SS..EExtended strand (participates in β ladder)trans-94.4-38.4174.7-66.1-163.9156.100112.9C981 S983 D991 P1007 C1008C981-E993 PolarHBondContact O-N 2.95Å; S983-E993 WeakPolarHBondContact CB-OE1 3.32Å; S983-E993 VanDerWaalsContact OG-CD 3.28Å; S983-E993 PolarHBondContact OG-OE1 2.95Å; D991-E993 PolarHBondContact O-N 3.06Å; E993-P1007 CarbonylContact O-C 3.56Å; E993-P1007 WeakPolarHBondContact O-CA 3.39Å; E993-C1008 PolarHBondContact O-N 3.43Å
994T88.3Confident75Confident39 Ų3975.5 Ų75.524%0.23941%0.407CS..EExtended strand (participates in β ladder)trans-140.2145.5179.361.80000110.8W980 C981 I992 T1005 I1006W980-T994 CarbonylContact C-O 3.52Å; W980-T994 VanDerWaalsContact CA-O 3.26Å; W980-T994 WeakPolarHBondContact CA-O 3.3Å; W980-T994 WeakPolarHBondContact CB-O 3.39Å; C981-T994 WeakPolarHBondContact CB-OG1 3.29Å; C981-T994 PolarHBondContact N-O 3.32Å; C981-T994 PolarHBondContact O-N 3.4Å; I992-T994 WeakPolarHBondContact CG2-O 3.37Å; T994-T1005 HydrophobicContact CG2-CG2 4.31Å; T994-I1006 CarbonylContact C-O 3.26Å; T994-I1006 VanDerWaalsContact CA-O 3.31Å; T994-I1006 WeakPolarHBondContact CA-O 3.27Å
995V91Very high77Confident0 Ų071.8 Ų71.80%039%0.388CS..EExtended strand (participates in β ladder)trans-121.4130.9174.6-1760000108.3I911 L977 W980 I992 F997 T1005 I1006 C1008 L1011I911-V995 HydrophobicContact CD1-CB 3.86Å; I911-V995 HydrophobicContact CD1-CG2 3.86Å; L977-V995 HydrophobicContact CD1-CG1 3.31Å; W980-V995 HydrophobicContact CB-CG2 4.14Å; I992-V995 HydrophobicContact CG2-CG2 3.62Å; V995-F997 HydrophobicContact CB-CE2 4.02Å; V995-F997 HydrophobicContact CB-CZ 4.29Å; V995-F997 HydrophobicContact CG1-CD2 4.28Å; V995-F997 HydrophobicContact CG1-CE1 4.1Å; V995-F997 HydrophobicContact CG1-CE2 3.52Å; V995-F997 HydrophobicContact CG1-CZ 3.42Å; V995-F997 VanDerWaalsContact CG1-CZ 3.42Å; V995-T1005 WeakPolarHBondContact O-CA 3.14Å; V995-I1006 PolarHBondContact N-O 3.08Å; V995-I1006 PolarHBondContact O-N 3.37Å; V995-C1008 HydrophobicContact CG2-CB 3.86Å; V995-L1011 HydrophobicContact CG1-CD2 4.31Å; V995-L1011 HydrophobicContact CG2-CD2 3.96Å
996T90.1Very high79.3Confident6 Ų662.5 Ų62.54%0.03734%0.343CS..EExtended strand (participates in β ladder)trans-110.7128.8-179.8-57.30000110D978 H979 F1003 L1004 T1005D978-T996 WeakPolarHBondContact CB-O 3.33Å; D978-T996 PolarHBondContact N-O 3.49Å; H979-T996 PolarHBondContact N-O 3.35Å; H979-T996 PolarHBondContact O-N 3.39Å; T996-F1003 HydrophobicContact CG2-CB 4.12Å; T996-F1003 HydrophobicContact CG2-CD1 3.85Å; T996-F1003 HydrophobicContact CG2-CG 4.4Å; T996-L1004 CarbonylContact C-O 3.59Å; T996-L1004 WeakPolarHBondContact CA-O 3.36Å; T996-T1005 PolarHBondContact OG1-OG1 3.37Å
997F91.7Very high81.4Confident0 Ų054.6 Ų54.60%031%0.308CS..EExtended strand (participates in β ladder)trans-112.7153.1176.4-59.4-85000110.3I911 Y913 I939 F975 I976 L977 V995 F1003 L1004 I1006I911-F997 HydrophobicContact CG2-CE2 4.21Å; I911-F997 HydrophobicContact CG2-CZ 3.86Å; Y913-F997 HydrophobicContact CD2-CD1 4.17Å; Y913-F997 AromaticContact CD2-CE1 3.46Å; Y913-F997 HydrophobicContact CD2-CE1 3.46Å; Y913-F997 VanDerWaalsContact CD2-CE1 3.46Å; Y913-F997 HydrophobicContact CD2-CZ 4.33Å; Y913-F997 HydrophobicContact CE2-CD1 4.04Å; Y913-F997 AromaticContact CE2-CE1 3.77Å; Y913-F997 HydrophobicContact CE2-CE1 3.77Å; Y913-F997 HydrophobicContact CG-CE1 4.27Å; I939-F997 HydrophobicContact CB-CE1 4.26Å; I939-F997 HydrophobicContact CB-CZ 4.24Å; I939-F997 HydrophobicContact CG1-CD2 4.46Å; I939-F997 HydrophobicContact CG1-CE2 4.04Å; I939-F997 HydrophobicContact CG1-CZ 4.09Å; I939-F997 HydrophobicContact CG2-CD1 3.74Å; I939-F997 HydrophobicContact CG2-CD2 4.46Å; I939-F997 HydrophobicContact CG2-CE1 3.79Å; I939-F997 HydrophobicContact CG2-CE2 4.49Å; I939-F997 HydrophobicContact CG2-CG 4.11Å; I939-F997 HydrophobicContact CG2-CZ 4.17Å; F975-F997 HydrophobicContact CB-CB 4Å; F975-F997 HydrophobicContact CB-CD1 4.46Å; F975-F997 HydrophobicContact CB-CG 4.44Å; F975-F997 HydrophobicContact CD1-CB 3.84Å; F975-F997 HydrophobicContact CG-CB 4.23Å; I976-F997 CarbonylContact O-C 3.56Å; I976-F997 WeakPolarHBondContact O-CA 3.34Å; L977-F997 HydrophobicContact CB-CD1 4.18Å; L977-F997 HydrophobicContact CB-CE1 4.06Å; L977-F997 HydrophobicContact CD1-CD1 4.13Å; L977-F997 HydrophobicContact CD1-CE1 3.65Å; L977-F997 HydrophobicContact CD1-CZ 4.14Å; L977-F997 HydrophobicContact CG-CE1 4.46Å; V995-F997 HydrophobicContact CB-CE2 4.02Å; V995-F997 HydrophobicContact CB-CZ 4.29Å; V995-F997 HydrophobicContact CG1-CD2 4.28Å; V995-F997 HydrophobicContact CG1-CE1 4.1Å; V995-F997 HydrophobicContact CG1-CE2 3.52Å; V995-F997 HydrophobicContact CG1-CZ 3.42Å; V995-F997 VanDerWaalsContact CG1-CZ 3.42Å; F997-F1003 CarbonylContact O-C 3.43Å; F997-F1003 VanDerWaalsContact O-CA 3.28Å; F997-F1003 WeakPolarHBondContact O-CA 3.39Å; F997-L1004 PolarHBondContact N-O 2.97Å; F997-L1004 PolarHBondContact O-N 2.88Å; F997-I1006 HydrophobicContact CD2-CD1 4.02Å; F997-I1006 HydrophobicContact CE2-CD1 3.91Å
998N87.8Confident83.7Confident48 Ų4851.9 Ų51.926%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-121.6128.8177.2179.610.8000109.7I976 D978 G1001 K1002 F1003I976-N998 PolarHBondContact N-O 3.45Å; I976-N998 PolarHBondContact O-N 3.1Å; D978-N998 HydrophobicContact CB-CB 4.09Å; N998-G1001 VanDerWaalsContact OD1-CA 3.26Å; N998-G1001 WeakPolarHBondContact OD1-CA 3.45Å; N998-G1001 PolarHBondContact OD1-N 3.5Å; N998-K1002 WeakPolarHBondContact CA-O 3.3Å; N998-F1003 HydrophobicContact CB-CD1 4.13Å; N998-F1003 HydrophobicContact CB-CE1 3.98Å
999S87.3Confident85.6Confident17 Ų1747 Ų4712%0.11925%0.253CS..EExtended strand (participates in β ladder)trans-131.9115.7170-175.70000108.1D974 F975 G1001 K1002D974-S999 VanDerWaalsContact O-CB 3.25Å; D974-S999 WeakPolarHBondContact O-CB 3.46Å; D974-S999 PolarHBondContact O-OG 3.21Å; F975-S999 VanDerWaalsContact CD1-CB 3.49Å; S999-G1001 PolarHBondContact O-N 2.9Å; S999-K1002 PolarHBondContact N-O 2.97Å; S999-K1002 WeakPolarHBondContact O-CB 3.25Å; S999-K1002 PolarHBondContact O-N 2.84Å
1000D81.5Confident87.3Confident152 Ų15244.2 Ų44.281%0.81323%0.233SC*.THydrogen-bonded Turntrans46.937.7-178.6-62.8-25.2000115.3K1002D1000-K1002 VanDerWaalsContact C-N 3.34Å
1001G78.3Confident88.4Confident52 Ų5237.2 Ų37.254%0.53620%0.203SC..THydrogen-bonded Turntrans85.9-2.8179.800000115N998 S999N998-G1001 VanDerWaalsContact OD1-CA 3.26Å; N998-G1001 WeakPolarHBondContact OD1-CA 3.45Å; N998-G1001 PolarHBondContact OD1-N 3.5Å; S999-G1001 PolarHBondContact O-N 2.9Å
1002K85.2Confident89Confident141 Ų14135.4 Ų35.461%0.61319%0.193SC*.EExtended strand (participates in β ladder)trans-91.3128.2171.6-64179.7-179.2174.80110.1N998 S999 D1000N998-K1002 WeakPolarHBondContact CA-O 3.3Å; S999-K1002 PolarHBondContact N-O 2.97Å; S999-K1002 WeakPolarHBondContact O-CB 3.25Å; S999-K1002 PolarHBondContact O-N 2.84Å; D1000-K1002 VanDerWaalsContact C-N 3.34Å
1003F87.8Confident89.3Confident117 Ų11735.4 Ų35.451%0.51319%0.193SC..EExtended strand (participates in β ladder)trans-94.2135.9178.9-64.9-79.3000111.6D978 T996 F997 N998D978-F1003 VanDerWaalsContact OD2-CE1 3.27Å; D978-F1003 WeakPolarHBondContact OD2-CE1 3.4Å; T996-F1003 HydrophobicContact CG2-CB 4.12Å; T996-F1003 HydrophobicContact CG2-CD1 3.85Å; T996-F1003 HydrophobicContact CG2-CG 4.4Å; F997-F1003 CarbonylContact O-C 3.43Å; F997-F1003 VanDerWaalsContact O-CA 3.28Å; F997-F1003 WeakPolarHBondContact O-CA 3.39Å; N998-F1003 HydrophobicContact CB-CD1 4.13Å; N998-F1003 HydrophobicContact CB-CE1 3.98Å
1004L89.9Confident89.7Confident2 Ų231.7 Ų31.71%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-119.9114.9173.7179.567.9000108.4L890 F894 I939 F975 T996 F997 I1006L890-L1004 HydrophobicContact CB-CD1 4.46Å; L890-L1004 HydrophobicContact CB-CD2 4.21Å; L890-L1004 HydrophobicContact CD1-CD2 4.34Å; F894-L1004 HydrophobicContact CB-CD1 3.94Å; F894-L1004 HydrophobicContact CD2-CD1 4Å; F894-L1004 HydrophobicContact CG-CD1 4.37Å; I939-L1004 HydrophobicContact CD1-CD2 4.46Å; F975-L1004 HydrophobicContact CD1-CB 4.34Å; F975-L1004 HydrophobicContact CD1-CD2 4.39Å; F975-L1004 HydrophobicContact CE1-CB 3.8Å; F975-L1004 HydrophobicContact CE1-CD2 3.9Å; F975-L1004 HydrophobicContact CE1-CG 4.49Å; F975-L1004 HydrophobicContact CE2-CD2 4.16Å; F975-L1004 HydrophobicContact CZ-CB 4.4Å; F975-L1004 HydrophobicContact CZ-CD2 3.78Å; T996-L1004 CarbonylContact C-O 3.59Å; T996-L1004 WeakPolarHBondContact CA-O 3.36Å; F997-L1004 PolarHBondContact N-O 2.97Å; F997-L1004 PolarHBondContact O-N 2.88Å; L1004-I1006 HydrophobicContact CD2-CD1 3.91Å; L1004-I1006 HydrophobicContact CD2-CG1 4.38Å; L1004-I1006 HydrophobicContact CG-CD1 4.17Å; L1004-I1006 HydrophobicContact CG-CG1 4.12Å
1005T90.5Very high89.7Confident48 Ų4829.9 Ų29.929%0.29416%0.164SC..EExtended strand (participates in β ladder)trans-108.1122179.4-59.80000110.2T994 V995 T996T994-T1005 HydrophobicContact CG2-CG2 4.31Å; V995-T1005 WeakPolarHBondContact O-CA 3.14Å; T996-T1005 PolarHBondContact OG1-OG1 3.37Å
1006I91.8Very high89.4Confident0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-117.5127.5-174.6-61.3162.7000109.6F894 L909 I911 I937 I939 T994 V995 F997 L1004 C1008F894-I1006 HydrophobicContact CD2-CG1 4.17Å; F894-I1006 HydrophobicContact CE1-CG2 4.15Å; F894-I1006 HydrophobicContact CE2-CG1 4.12Å; F894-I1006 HydrophobicContact CG-CG1 4.4Å; F894-I1006 HydrophobicContact CZ-CG1 4.3Å; F894-I1006 HydrophobicContact CZ-CG2 4.11Å; L909-I1006 HydrophobicContact CD1-CG2 4.14Å; I911-I1006 HydrophobicContact CD1-CB 3.96Å; I911-I1006 HydrophobicContact CD1-CG2 3.74Å; I911-I1006 HydrophobicContact CG1-CG2 4.13Å; I937-I1006 HydrophobicContact CD1-CD1 3.8Å; I937-I1006 HydrophobicContact CG2-CG2 4.41Å; I939-I1006 HydrophobicContact CD1-CD1 3.91Å; I939-I1006 HydrophobicContact CG1-CD1 4.24Å; T994-I1006 CarbonylContact C-O 3.26Å; T994-I1006 VanDerWaalsContact CA-O 3.31Å; T994-I1006 WeakPolarHBondContact CA-O 3.27Å; V995-I1006 PolarHBondContact N-O 3.08Å; V995-I1006 PolarHBondContact O-N 3.37Å; F997-I1006 HydrophobicContact CD2-CD1 4.02Å; F997-I1006 HydrophobicContact CE2-CD1 3.91Å; L1004-I1006 HydrophobicContact CD2-CD1 3.91Å; L1004-I1006 HydrophobicContact CD2-CG1 4.38Å; L1004-I1006 HydrophobicContact CG-CD1 4.17Å; L1004-I1006 HydrophobicContact CG-CG1 4.12Å; I1006-C1008 PolarHBondContact O-N 3.29Å
1007P91.3Very high89.4Confident21 Ų2133.1 Ų33.114%0.13618%0.179CC..EExtended strand (participates in β ladder)trans-61.3125.2168.5-22.234.1000111.7L900 K908 L909 E993L900-P1007 HydrophobicContact CD2-CG 4.49Å; K908-P1007 HydrophobicContact CG-CB 4.22Å; L909-P1007 PolarHBondContact N-O 2.68Å; E993-P1007 CarbonylContact O-C 3.56Å; E993-P1007 WeakPolarHBondContact O-CA 3.39Å
1008C90.9Very high89.2Confident1 Ų133.8 Ų33.81%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-109.7130.2-169.1-173.50000111.5I911 I992 E993 V995 I1006 G1010I911-C1008 HydrophobicContact CD1-CB 3.9Å; I992-C1008 HydrophobicContact CG2-CB 3.95Å; E993-C1008 PolarHBondContact O-N 3.43Å; V995-C1008 HydrophobicContact CG2-CB 3.86Å; I1006-C1008 PolarHBondContact O-N 3.29Å; C1008-G1010 VanDerWaalsContact SG-C 3.52Å
1009L90.9Very high89.2Confident21 Ų2131.7 Ų31.711%0.1117%0.172CC..EExtended strand (participates in β ladder)trans-97.3-40.4167-167.963000110.6N797 Y818 F822 K908 L909 F910N797-L1009 WeakPolarHBondContact CB-O 3.28Å; N797-L1009 PolarHBondContact ND2-O 2.65Å; Y818-L1009 HydrophobicContact CD1-CD1 3.92Å; Y818-L1009 HydrophobicContact CD1-CD2 3.93Å; Y818-L1009 HydrophobicContact CD1-CG 3.87Å; Y818-L1009 HydrophobicContact CE1-CD1 3.79Å; Y818-L1009 HydrophobicContact CE1-CD2 4.36Å; Y818-L1009 HydrophobicContact CE1-CG 3.79Å; Y818-L1009 HydrophobicContact CG-CD2 4.31Å; Y818-L1009 PolarHBondContact OH-O 3.46Å; F822-L1009 HydrophobicContact CE1-CD2 3.87Å; F822-L1009 HydrophobicContact CZ-CD2 3.46Å; F822-L1009 VanDerWaalsContact CZ-CD2 3.46Å; K908-L1009 HydrophobicContact CB-CB 3.87Å; K908-L1009 HydrophobicContact CB-CD1 4.25Å; K908-L1009 HydrophobicContact CD-CD1 4.41Å; L909-L1009 PolarHBondContact O-N 2.91Å; F910-L1009 HydrophobicContact CD2-CD2 4.29Å; F910-L1009 HydrophobicContact CE1-CD2 4.38Å; F910-L1009 HydrophobicContact CE1-CG 4.43Å; F910-L1009 HydrophobicContact CE2-CD2 3.65Å; F910-L1009 HydrophobicContact CE2-CG 4.5Å; F910-L1009 HydrophobicContact CZ-CD2 3.71Å; F910-L1009 HydrophobicContact CZ-CG 4.21Å
1010G92.3Very high89.3Confident0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-157137.117200000111.5N797 F910 I911 C1008N797-G1010 CarbonylContact O-C 3.5Å; N797-G1010 VanDerWaalsContact O-CA 3.3Å; N797-G1010 WeakPolarHBondContact O-CA 3.41Å; F910-G1010 CarbonylContact C-O 3.6Å; F910-G1010 WeakPolarHBondContact CA-O 3.44Å; I911-G1010 PolarHBondContact N-O 2.95Å; C1008-G1010 VanDerWaalsContact SG-C 3.52Å
1011L94.5Very high89.4Confident0 Ų024.7 Ų24.70%013%0.134CC..EExtended strand (participates in β ladder)trans-109.1115-180172.659.7000109.6N797 L798 F799 I911 W980 I992 V995N797-L1011 PolarHBondContact O-N 3.43Å; L798-L1011 CarbonylContact C-O 3.5Å; L798-L1011 WeakPolarHBondContact CA-O 3.46Å; L798-L1011 HydrophobicContact CD1-CB 3.9Å; L798-L1011 HydrophobicContact CD1-CD2 3.65Å; L798-L1011 HydrophobicContact CD1-CG 3.6Å; L798-L1011 WeakPolarHBondContact CD1-O 3.37Å; F799-L1011 PolarHBondContact N-O 3.26Å; I911-L1011 HydrophobicContact CB-CD1 3.88Å; I911-L1011 HydrophobicContact CG2-CD1 3.74Å; I911-L1011 CarbonylContact O-C 3.46Å; I911-L1011 WeakPolarHBondContact O-CA 3.44Å; W980-L1011 HydrophobicContact CE3-CD2 4.48Å; I992-L1011 HydrophobicContact CD1-CB 4.41Å; I992-L1011 HydrophobicContact CD1-CD2 4.2Å; V995-L1011 HydrophobicContact CG1-CD2 4.31Å; V995-L1011 HydrophobicContact CG2-CD2 3.96Å
1012F96.1Very high89.9Confident0 Ų025.1 Ų25.10%012%0.124CC..EExtended strand (participates in β ladder)trans-97.4132.6172.9-65-96.9000110.3F799 I801 I810 F910 I911 V912 Y913 C922 L926 F1014F799-F1012 HydrophobicContact CB-CD1 3.55Å; F799-F1012 HydrophobicContact CB-CE1 3.69Å; F799-F1012 HydrophobicContact CB-CG 4.14Å; F799-F1012 HydrophobicContact CB-CZ 4.36Å; F799-F1012 HydrophobicContact CD2-CD1 4.16Å; F799-F1012 HydrophobicContact CD2-CD2 4.17Å; F799-F1012 AromaticContact CD2-CE1 3.76Å; F799-F1012 HydrophobicContact CD2-CE1 3.76Å; F799-F1012 AromaticContact CD2-CE2 3.77Å; F799-F1012 HydrophobicContact CD2-CE2 3.77Å; F799-F1012 HydrophobicContact CD2-CG 4.34Å; F799-F1012 AromaticContact CD2-CZ 3.53Å; F799-F1012 HydrophobicContact CD2-CZ 3.53Å; F799-F1012 HydrophobicContact CE2-CE2 4.33Å; F799-F1012 HydrophobicContact CE2-CZ 4.12Å; F799-F1012 HydrophobicContact CG-CD1 4.23Å; F799-F1012 AromaticContact CG-CE1 3.92Å; F799-F1012 HydrophobicContact CG-CE1 3.92Å; F799-F1012 HydrophobicContact CG-CZ 4.15Å; F799-F1012 WeakPolarHBondContact O-CA 3.26Å; I801-F1012 HydrophobicContact CD1-CD1 4.03Å; I801-F1012 HydrophobicContact CD1-CE1 4.02Å; I810-F1012 HydrophobicContact CD1-CE1 4.04Å; I810-F1012 HydrophobicContact CG2-CE1 3.98Å; I810-F1012 HydrophobicContact CG2-CZ 3.91Å; F910-F1012 AromaticContact CD1-CE2 3.8Å; F910-F1012 HydrophobicContact CD1-CE2 3.8Å; F910-F1012 HydrophobicContact CE1-CE2 4.47Å; I911-F1012 PolarHBondContact O-N 2.9Å; V912-F1012 HydrophobicContact CG1-CB 4.46Å; V912-F1012 HydrophobicContact CG2-CB 4.28Å; V912-F1012 HydrophobicContact CG2-CD2 4.28Å; Y913-F1012 PolarHBondContact N-O 3.47Å; C922-F1012 WeakPolarHBondContact SG-CD1 3.44Å; L926-F1012 HydrophobicContact CD1-CD2 4.32Å; L926-F1012 HydrophobicContact CD1-CE2 3.89Å; L926-F1012 HydrophobicContact CD1-CZ 4.37Å; L926-F1012 HydrophobicContact CD2-CE2 3.96Å; L926-F1012 HydrophobicContact CD2-CZ 3.8Å; L926-F1012 HydrophobicContact CG-CE2 4.42Å; L926-F1012 HydrophobicContact CG-CZ 4.44Å; F1012-F1014 HydrophobicContact CB-CD2 4.16Å; F1012-F1014 HydrophobicContact CB-CE2 3.77Å; F1012-F1014 HydrophobicContact CD1-CE2 4.41Å
1013Y93.2Very high90.2Very high1 Ų118.7 Ų18.70%0.00410%0.096CC..EExtended strand (participates in β ladder)trans-118.1117.1-173.7-166.6-78.5000112.5H728 V729 S730 F799 Y913 L977 H1015H728-Y1013 WeakPolarHBondContact O-CE1 3.21Å; V729-Y1013 HydrophobicContact CB-CD2 4.43Å; V729-Y1013 HydrophobicContact CB-CG 4.48Å; V729-Y1013 HydrophobicContact CG1-CD2 4.05Å; V729-Y1013 HydrophobicContact CG1-CE2 4.08Å; V729-Y1013 HydrophobicContact CG2-CD1 4.4Å; V729-Y1013 HydrophobicContact CG2-CD2 4.25Å; V729-Y1013 HydrophobicContact CG2-CG 4Å; S730-Y1013 PolarHBondContact N-OH 3.32Å; S730-Y1013 PolarHBondContact O-OH 2.76Å; S730-Y1013 PolarHBondContact OG-OH 3.15Å; F799-Y1013 PolarHBondContact O-N 3.17Å; Y913-Y1013 AromaticContact CD1-CD2 3.63Å; Y913-Y1013 HydrophobicContact CD1-CD2 3.63Å; Y913-Y1013 AromaticContact CD1-CE2 3.45Å; Y913-Y1013 HydrophobicContact CD1-CE2 3.45Å; Y913-Y1013 VanDerWaalsContact CD1-CE2 3.45Å; Y913-Y1013 HydrophobicContact CD1-CG 4.35Å; Y913-Y1013 HydrophobicContact CE1-CD2 4.26Å; Y913-Y1013 AromaticContact CE1-CE2 3.6Å; Y913-Y1013 HydrophobicContact CE1-CE2 3.6Å; Y913-Y1013 AromaticContact CE1-CZ 3.93Å; L977-Y1013 HydrophobicContact CD2-CD2 4.26Å; L977-Y1013 HydrophobicContact CD2-CE2 3.82Å; Y1013-H1015 HydrophobicContact CD1-CB 4.46Å; Y1013-H1015 HydrophobicContact CE1-CB 3.7Å
1014F93.6Very high90.3Very high0 Ų015.7 Ų15.70%08%0.083CC..  trans-136.327.1-172.4-69.8-74.6000113.8Y727 I801 V912 Y913 T916 D918 A919 C922 F1012Y727-F1014 HydrophobicContact CD1-CD1 4.46Å; Y727-F1014 AromaticContact CD2-CD1 3.88Å; Y727-F1014 HydrophobicContact CD2-CD1 3.88Å; Y727-F1014 HydrophobicContact CD2-CE1 4.26Å; Y727-F1014 VanDerWaalsContact CE1-C 3.48Å; Y727-F1014 HydrophobicContact CE1-CB 4.12Å; Y727-F1014 HydrophobicContact CE1-CD1 4.13Å; Y727-F1014 WeakPolarHBondContact CE1-O 3.12Å; Y727-F1014 AromaticContact CE2-CD1 3.51Å; Y727-F1014 HydrophobicContact CE2-CD1 3.51Å; Y727-F1014 AromaticContact CE2-CE1 3.99Å; Y727-F1014 HydrophobicContact CE2-CE1 3.99Å; Y727-F1014 HydrophobicContact CG-CD1 4.33Å; Y727-F1014 AromaticContact CZ-CD1 3.64Å; I801-F1014 HydrophobicContact CB-CE1 4.28Å; I801-F1014 HydrophobicContact CB-CZ 4.13Å; I801-F1014 HydrophobicContact CD1-CZ 4.14Å; I801-F1014 HydrophobicContact CG1-CZ 4.28Å; V912-F1014 HydrophobicContact CG1-CD2 3.95Å; V912-F1014 HydrophobicContact CG1-CE2 4.35Å; Y913-F1014 WeakPolarHBondContact O-CA 3.21Å; Y913-F1014 PolarHBondContact O-N 2.79Å; T916-F1014 WeakPolarHBondContact CG2-O 3.49Å; T916-F1014 PolarHBondContact OG1-O 3.39Å; D918-F1014 HydrophobicContact CB-CD1 3.81Å; D918-F1014 HydrophobicContact CB-CE1 3.84Å; A919-F1014 HydrophobicContact CB-CB 3.77Å; A919-F1014 HydrophobicContact CB-CD2 4.12Å; A919-F1014 HydrophobicContact CB-CG 4.08Å; C922-F1014 HydrophobicContact CB-CD2 4.39Å; C922-F1014 HydrophobicContact CB-CE2 3.42Å; C922-F1014 VanDerWaalsContact CB-CE2 3.42Å; C922-F1014 HydrophobicContact CB-CZ 3.66Å; F1012-F1014 HydrophobicContact CB-CD2 4.16Å; F1012-F1014 HydrophobicContact CB-CE2 3.77Å; F1012-F1014 HydrophobicContact CD1-CE2 4.41Å
1015H89.2Confident90.3Very high0 Ų019.6 Ų19.60%010%0.1CC..SBendtrans-71.9-63-175.5-177.2-154.5000113.4F753 Y913 P941 M944 Y1013F753-H1015 AromaticContact CD2-CE1 3.75Å; F753-H1015 AromaticContact CE2-CE1 3.62Å; F753-H1015 AromaticContact CE2-ND1 3.86Å; Y913-H1015 HydrophobicContact CD1-CB 4.08Å; Y913-H1015 HydrophobicContact CE1-CB 3.72Å; P941-H1015 HydrophobicContact CG-CB 4.4Å; P941-H1015 WeakPolarHBondContact CG-CD2 3.44Å; P941-H1015 WeakPolarHBondContact CG-NE2 3.4Å; M944-H1015 VanDerWaalsContact CE-NE2 3.26Å; M944-H1015 WeakPolarHBondContact CE-NE2 3.27Å; Y1013-H1015 HydrophobicContact CD1-CB 4.46Å; Y1013-H1015 HydrophobicContact CE1-CB 3.7Å
1016V84.3Confident90.4Very high14 Ų1417.3 Ų17.39%0.0859%0.086CC..  trans-135.8135.7-176.8179.10000110.9F753 M944F753-V1016 HydrophobicContact CD1-CG2 4.47Å; F753-V1016 HydrophobicContact CE1-CB 4.31Å; F753-V1016 HydrophobicContact CE1-CG1 4.47Å; F753-V1016 HydrophobicContact CE1-CG2 3.79Å; F753-V1016 HydrophobicContact CZ-CG2 4.09Å; M944-V1016 HydrophobicContact CE-CG2 3.22Å; M944-V1016 HydrophobicContact SD-CG2 3.86Å
1017K89.4Confident90.5Very high61 Ų6117.3 Ų17.327%0.2659%0.086SC..EExtended strand (participates in β ladder)trans-86.1132.6164.6-61.3-174.7-179.7175.20110.7L725 Q726 Y727 D918L725-K1017 HydrophobicContact CB-CB 3.62Å; Q726-K1017 CarbonylContact O-C 3.58Å; Q726-K1017 VanDerWaalsContact O-CA 3.24Å; Q726-K1017 WeakPolarHBondContact O-CA 3.43Å; Y727-K1017 HydrophobicContact CD1-CG 3.77Å; Y727-K1017 HydrophobicContact CD2-CG 4.2Å; Y727-K1017 HydrophobicContact CE1-CD 4.45Å; Y727-K1017 HydrophobicContact CE1-CG 3.63Å; Y727-K1017 HydrophobicContact CE2-CD 4.19Å; Y727-K1017 HydrophobicContact CE2-CG 4.06Å; Y727-K1017 HydrophobicContact CG-CG 4.07Å; Y727-K1017 WeakPolarHBondContact OH-CE 3.49Å; D918-K1017 WeakPolarHBondContact OD2-CE 3.29Å; D918-K1017 IonicContact OD2-NZ 2.65Å; D918-K1017 PolarHBondContact OD2-NZ 2.99Å
1018T87.3Confident90.4Very high14 Ų1420.7 Ų20.79%0.08610%0.103CC..EExtended strand (participates in β ladder)trans-141179177.2-171.40000110.5L725 Q726 H728 M751 I787L725-T1018 CarbonylContact C-O 3.56Å; L725-T1018 WeakPolarHBondContact CA-O 3.38Å; Q726-T1018 PolarHBondContact N-O 3.13Å; Q726-T1018 PolarHBondContact O-N 3.47Å; H728-T1018 HydrophobicContact CB-CG2 4.03Å; H728-T1018 VanDerWaalsContact CD2-CG2 3.43Å; H728-T1018 WeakPolarHBondContact CD2-CG2 3.29Å; M751-T1018 HydrophobicContact CE-CG2 4.02Å; M751-T1018 HydrophobicContact SD-CG2 3.87Å; I787-T1018 HydrophobicContact CD1-CG2 3.55Å
1019V89Confident90.5Very high3 Ų325.5 Ų25.52%0.01813%0.128CC..  trans-71.7137.2-178.4-176.70000109.8L725 V1021 V1023 F1024 F1034 I1057L725-V1019 HydrophobicContact CD2-CG2 3.9Å; V1019-V1021 PolarHBondContact O-N 3.37Å; V1019-V1023 HydrophobicContact CG1-CG1 4.48Å; V1019-F1024 HydrophobicContact CG1-CB 4.09Å; V1019-F1034 HydrophobicContact CB-CZ 4.47Å; V1019-F1034 HydrophobicContact CG2-CE2 4.22Å; V1019-F1034 HydrophobicContact CG2-CZ 3.95Å; V1019-I1057 HydrophobicContact CG1-CD1 3.69Å; V1019-I1057 HydrophobicContact CG1-CG1 4.2Å; V1019-I1057 HydrophobicContact CG2-CD1 4.41Å; V1019-I1057 HydrophobicContact CG2-CG1 4.01Å
1020D88.3Confident90.6Very high9 Ų924.9 Ų24.95%0.04813%0.126CC..  trans-54134.7172.8172.3-79.7000110.2K695 D1022 V1023 F1024K695-D1020 IonicContact NZ-OD2 2.78Å; K695-D1020 PolarHBondContact NZ-OD2 3.15Å; D1020-D1022 VanDerWaalsContact C-N 3.33Å; D1020-D1022 PolarHBondContact O-N 3.2Å; D1020-D1022 WeakPolarHBondContact OD1-CA 3.49Å; D1020-D1022 VanDerWaalsContact OD1-CB 3.3Å; D1020-D1022 WeakPolarHBondContact OD1-CB 3.45Å; D1020-D1022 PolarHBondContact OD1-N 3.24Å; D1020-V1023 HydrophobicContact CB-CB 4.27Å; D1020-V1023 HydrophobicContact CB-CG2 4.08Å; D1020-V1023 PolarHBondContact O-N 2.77Å; D1020-V1023 PolarHBondContact OD1-N 2.95Å; D1020-F1024 WeakPolarHBondContact O-CB 3.45Å; D1020-F1024 PolarHBondContact O-N 3.11Å
1021V84.7Confident90.6Very high14 Ų1429 Ų299%0.08515%0.154CC..Hα-helixtrans-63.3-38.9-171.8-179.50000111.9I749 I787 Q789 V1019 K1025I749-V1021 HydrophobicContact CD1-CB 4.32Å; I749-V1021 HydrophobicContact CD1-CG1 4.34Å; I749-V1021 HydrophobicContact CD1-CG2 3.96Å; I787-V1021 HydrophobicContact CG2-CG2 3.81Å; Q789-V1021 HydrophobicContact CG-CG1 4.26Å; V1019-V1021 PolarHBondContact O-N 3.37Å; V1021-K1025 WeakPolarHBondContact O-CB 3.47Å; V1021-K1025 PolarHBondContact O-N 2.91Å
1022D87.9Confident90.6Very high60 Ų6029.3 Ų29.332%0.32116%0.155SC..Hα-helixtrans-69.2-42.3-178.9-57.2-48.5000110K695 D1020 K1025 A1026K695-D1022 VanDerWaalsContact CD-OD2 3.23Å; K695-D1022 WeakPolarHBondContact CD-OD2 3.4Å; K695-D1022 IonicContact NZ-OD2 3.07Å; K695-D1022 PolarHBondContact NZ-OD2 3.36Å; D1020-D1022 VanDerWaalsContact C-N 3.33Å; D1020-D1022 PolarHBondContact O-N 3.2Å; D1020-D1022 WeakPolarHBondContact OD1-CA 3.49Å; D1020-D1022 VanDerWaalsContact OD1-CB 3.3Å; D1020-D1022 WeakPolarHBondContact OD1-CB 3.45Å; D1020-D1022 PolarHBondContact OD1-N 3.24Å; D1022-K1025 PolarHBondContact O-N 3.09Å; D1022-A1026 WeakPolarHBondContact O-CB 3.36Å; D1022-A1026 PolarHBondContact O-N 3.21Å
1023V91.3Very high90.3Very high7 Ų732.8 Ų32.84%0.04218%0.177CC..Hα-helixtrans-64.5-48175.3177.60000110.7T723 V1019 D1020 K1025 A1026 L1027 I1057T723-V1023 HydrophobicContact CG2-CG2 4.1Å; V1019-V1023 HydrophobicContact CG1-CG1 4.48Å; D1020-V1023 HydrophobicContact CB-CB 4.27Å; D1020-V1023 HydrophobicContact CB-CG2 4.08Å; D1020-V1023 PolarHBondContact O-N 2.77Å; D1020-V1023 PolarHBondContact OD1-N 2.95Å; V1023-K1025 VanDerWaalsContact C-N 3.31Å; V1023-K1025 PolarHBondContact O-N 3.32Å; V1023-A1026 WeakPolarHBondContact O-CB 3.37Å; V1023-A1026 PolarHBondContact O-N 2.95Å; V1023-L1027 HydrophobicContact CG1-CD1 4.01Å; V1023-L1027 HydrophobicContact CG1-CG 4.37Å; V1023-L1027 VanDerWaalsContact O-CG 3.25Å; V1023-L1027 WeakPolarHBondContact O-CG 3.35Å; V1023-L1027 PolarHBondContact O-N 2.83Å; V1023-I1057 HydrophobicContact CG1-CD1 4.03Å
1024F90.4Very high90.1Very high53 Ų5335.1 Ų35.123%0.23219%0.187CC..Hα-helixtrans-55.6-47.8176.9168.6-102.6000111.4I749 V1019 D1020 L1027 N1028 F1034I749-F1024 HydrophobicContact CD1-CB 4.01Å; I749-F1024 HydrophobicContact CD1-CD1 3.59Å; I749-F1024 HydrophobicContact CD1-CE1 4.27Å; I749-F1024 HydrophobicContact CD1-CG 3.86Å; I749-F1024 HydrophobicContact CG1-CD1 3.81Å; I749-F1024 HydrophobicContact CG1-CE1 4.04Å; V1019-F1024 HydrophobicContact CG1-CB 4.09Å; D1020-F1024 WeakPolarHBondContact O-CB 3.45Å; D1020-F1024 PolarHBondContact O-N 3.11Å; F1024-L1027 PolarHBondContact O-N 2.89Å; F1024-N1028 WeakPolarHBondContact O-CB 3.17Å; F1024-N1028 PolarHBondContact O-N 3.23Å; F1024-F1034 AromaticContact CD2-CD1 3.95Å; F1024-F1034 HydrophobicContact CD2-CD1 3.95Å; F1024-F1034 HydrophobicContact CD2-CD2 4.25Å; F1024-F1034 AromaticContact CD2-CE1 3.61Å; F1024-F1034 HydrophobicContact CD2-CE1 3.61Å; F1024-F1034 AromaticContact CD2-CE2 3.94Å; F1024-F1034 HydrophobicContact CD2-CE2 3.94Å; F1024-F1034 HydrophobicContact CD2-CG 4.25Å; F1024-F1034 AromaticContact CD2-CZ 3.61Å; F1024-F1034 HydrophobicContact CD2-CZ 3.61Å; F1024-F1034 AromaticContact CE2-CD1 3.55Å; F1024-F1034 HydrophobicContact CE2-CD1 3.55Å; F1024-F1034 AromaticContact CE2-CE1 3.49Å; F1024-F1034 HydrophobicContact CE2-CE1 3.49Å; F1024-F1034 VanDerWaalsContact CE2-CE1 3.49Å; F1024-F1034 HydrophobicContact CE2-CG 4.12Å; F1024-F1034 HydrophobicContact CE2-CZ 4.01Å
1025K89.4Confident89.7Confident85 Ų8537.3 Ų37.337%0.3720%0.199SC..Hα-helixtrans-59.6-47.8176.7-177.7178.4178.2-177.30111.5V1021 D1022 V1023 L1027 N1028 D1029V1021-K1025 WeakPolarHBondContact O-CB 3.47Å; V1021-K1025 PolarHBondContact O-N 2.91Å; D1022-K1025 PolarHBondContact O-N 3.09Å; V1023-K1025 VanDerWaalsContact C-N 3.31Å; V1023-K1025 PolarHBondContact O-N 3.32Å; K1025-L1027 VanDerWaalsContact C-N 3.27Å; K1025-L1027 PolarHBondContact O-N 3.38Å; K1025-N1028 PolarHBondContact O-N 2.92Å; K1025-D1029 WeakPolarHBondContact CE-OD2 3.29Å; K1025-D1029 WeakPolarHBondContact CG-OD2 3.3Å; K1025-D1029 VanDerWaalsContact O-CB 3.31Å; K1025-D1029 WeakPolarHBondContact O-CB 3.28Å; K1025-D1029 VanDerWaalsContact O-CG 3.26Å; K1025-D1029 PolarHBondContact O-N 3.44Å
1026A92.5Very high89.4Confident0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-57.9-38.4178.200000112.9L696 I699 D1022 V1023 S1030L696-A1026 HydrophobicContact CG-CB 4.3Å; I699-A1026 HydrophobicContact CG1-CB 4.49Å; D1022-A1026 WeakPolarHBondContact O-CB 3.36Å; D1022-A1026 PolarHBondContact O-N 3.21Å; V1023-A1026 WeakPolarHBondContact O-CB 3.37Å; V1023-A1026 PolarHBondContact O-N 2.95Å; A1026-S1030 VanDerWaalsContact O-CB 3.25Å; A1026-S1030 WeakPolarHBondContact O-CB 3.43Å; A1026-S1030 PolarHBondContact O-N 2.98Å; A1026-S1030 PolarHBondContact O-OG 3.4Å
1027L93.4Very high89.6Confident0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-70.8-44.9177.2-64.4171.9000112.1I699 I721 V1023 F1024 K1025 S1030 C1031 I1032 F1034 L1038 I1057I699-L1027 HydrophobicContact CD1-CD2 3.8Å; I721-L1027 HydrophobicContact CD1-CD2 3.62Å; V1023-L1027 HydrophobicContact CG1-CD1 4.01Å; V1023-L1027 HydrophobicContact CG1-CG 4.37Å; V1023-L1027 VanDerWaalsContact O-CG 3.25Å; V1023-L1027 WeakPolarHBondContact O-CG 3.35Å; V1023-L1027 PolarHBondContact O-N 2.83Å; F1024-L1027 PolarHBondContact O-N 2.89Å; K1025-L1027 VanDerWaalsContact C-N 3.27Å; K1025-L1027 PolarHBondContact O-N 3.38Å; L1027-S1030 WeakPolarHBondContact CA-OG 3.45Å; L1027-S1030 PolarHBondContact O-N 2.75Å; L1027-S1030 PolarHBondContact O-OG 3.47Å; L1027-C1031 PolarHBondContact O-N 2.84Å; L1027-I1032 HydrophobicContact CD2-CB 4.43Å; L1027-I1032 HydrophobicContact CD2-CD1 3.88Å; L1027-I1032 HydrophobicContact CD2-CG2 4.35Å; L1027-I1032 PolarHBondContact O-N 2.93Å; L1027-F1034 HydrophobicContact CD1-CD2 4.18Å; L1027-F1034 HydrophobicContact CD1-CE2 4.37Å; L1027-L1038 HydrophobicContact CD1-CD1 4.44Å; L1027-L1038 HydrophobicContact CD1-CD2 4.21Å; L1027-L1038 HydrophobicContact CD2-CD1 4.4Å; L1027-L1038 HydrophobicContact CD2-CD2 4.29Å; L1027-I1057 HydrophobicContact CD1-CD1 4.3Å
1028N90.3Very high89.8Confident91 Ų9137.7 Ų37.749%0.48721%0.205SC..Hα-helixtrans-67.7-46.3-178.7-169.355.7000111.6F1024 K1025 S1030 C1031F1024-N1028 WeakPolarHBondContact O-CB 3.17Å; F1024-N1028 PolarHBondContact O-N 3.23Å; K1025-N1028 PolarHBondContact O-N 2.92Å; N1028-S1030 PolarHBondContact O-N 3.03Å; N1028-C1031 PolarHBondContact O-N 2.84Å
1029D92Very high90.1Very high102 Ų10237.8 Ų37.855%0.54521%0.206SC..Hα-helixtrans-64.5-27.8179.1-69.2-6.7000111.9K1025 C1031K1025-D1029 WeakPolarHBondContact CE-OD2 3.29Å; K1025-D1029 WeakPolarHBondContact CG-OD2 3.3Å; K1025-D1029 VanDerWaalsContact O-CB 3.31Å; K1025-D1029 WeakPolarHBondContact O-CB 3.28Å; K1025-D1029 VanDerWaalsContact O-CG 3.26Å; K1025-D1029 PolarHBondContact O-N 3.44Å; D1029-C1031 VanDerWaalsContact C-N 3.31Å
1030S93.6Very high90.3Very high9 Ų937.7 Ų37.76%0.06321%0.206CC..THydrogen-bonded Turntrans-85-0.5175.362.70000114I699 R701 A1026 L1027 N1028 I1032I699-S1030 WeakPolarHBondContact O-CB 3.47Å; R701-S1030 PolarHBondContact NE-O 3.15Å; R701-S1030 PolarHBondContact NH2-O 2.98Å; A1026-S1030 VanDerWaalsContact O-CB 3.25Å; A1026-S1030 WeakPolarHBondContact O-CB 3.43Å; A1026-S1030 PolarHBondContact O-N 2.98Å; A1026-S1030 PolarHBondContact O-OG 3.4Å; L1027-S1030 WeakPolarHBondContact CA-OG 3.45Å; L1027-S1030 PolarHBondContact O-N 2.75Å; L1027-S1030 PolarHBondContact O-OG 3.47Å; N1028-S1030 PolarHBondContact O-N 3.03Å; S1030-I1032 VanDerWaalsContact C-N 3.27Å; S1030-I1032 PolarHBondContact O-N 3.31Å; S1030-I1032 WeakPolarHBondContact OG-CD1 3.38Å; S1030-I1032 WeakPolarHBondContact OG-CG1 3.31Å
1031C92.1Very high90.3Very high87 Ų8738 Ų3859%0.58821%0.207SC*.THydrogen-bonded Turntrans57.436.5-175.7-48.90000113.5R701 L1027 N1028 D1029 N1047R701-C1031 PolarHBondContact NH1-O 3.4Å; R701-C1031 PolarHBondContact NH2-O 2.88Å; L1027-C1031 PolarHBondContact O-N 2.84Å; N1028-C1031 PolarHBondContact O-N 2.84Å; D1029-C1031 VanDerWaalsContact C-N 3.31Å; C1031-N1047 PolarHBondContact O-ND2 3.23Å
1032I94Very high90.3Very high5 Ų538.7 Ų38.73%0.02621%0.212CC..  trans-79.8136.7165.9-65172.2000108I699 L1027 S1030 F1034 L1038 T1046 N1047 I1051I699-I1032 HydrophobicContact CD1-CD1 3.77Å; L1027-I1032 HydrophobicContact CD2-CB 4.43Å; L1027-I1032 HydrophobicContact CD2-CD1 3.88Å; L1027-I1032 HydrophobicContact CD2-CG2 4.35Å; L1027-I1032 PolarHBondContact O-N 2.93Å; S1030-I1032 VanDerWaalsContact C-N 3.27Å; S1030-I1032 PolarHBondContact O-N 3.31Å; S1030-I1032 WeakPolarHBondContact OG-CD1 3.38Å; S1030-I1032 WeakPolarHBondContact OG-CG1 3.31Å; I1032-F1034 PolarHBondContact O-N 3.15Å; I1032-F1034 VanDerWaalsContact O-N 3.16Å; I1032-L1038 HydrophobicContact CG2-CD1 3.32Å; I1032-T1046 HydrophobicContact CG2-CG2 4.41Å; I1032-N1047 WeakPolarHBondContact CA-OD1 3.4Å; I1032-I1051 HydrophobicContact CD1-CD1 3.67Å; I1032-I1051 HydrophobicContact CD1-CG2 4.45Å; I1032-I1051 HydrophobicContact CG1-CD1 4.5Å
1033V91.5Very high90.3Very high73 Ų7337.2 Ų37.244%0.44221%0.205SC..  trans-66.5118.5-173.2-1780000110.3V1039 N1047V1033-V1039 HydrophobicContact CB-CB 4.2Å; V1033-V1039 HydrophobicContact CG1-CB 3.87Å; V1033-V1039 HydrophobicContact CG1-CG1 4.4Å; V1033-V1039 HydrophobicContact CG1-CG2 3.81Å; V1033-V1039 PolarHBondContact O-N 3.22Å; V1033-N1047 HydrophobicContact CG2-CB 3.95Å; V1033-N1047 PolarHBondContact N-OD1 2.89Å
1034F89.3Confident90.4Very high50 Ų5037.5 Ų37.522%0.21921%0.205CC..BIsolated β-bridgetrans-126.6125178.6-166.1-82.6000110.2V1019 F1024 L1027 I1032 S1036 L1038V1019-F1034 HydrophobicContact CB-CZ 4.47Å; V1019-F1034 HydrophobicContact CG2-CE2 4.22Å; V1019-F1034 HydrophobicContact CG2-CZ 3.95Å; F1024-F1034 AromaticContact CD2-CD1 3.95Å; F1024-F1034 HydrophobicContact CD2-CD1 3.95Å; F1024-F1034 HydrophobicContact CD2-CD2 4.25Å; F1024-F1034 AromaticContact CD2-CE1 3.61Å; F1024-F1034 HydrophobicContact CD2-CE1 3.61Å; F1024-F1034 AromaticContact CD2-CE2 3.94Å; F1024-F1034 HydrophobicContact CD2-CE2 3.94Å; F1024-F1034 HydrophobicContact CD2-CG 4.25Å; F1024-F1034 AromaticContact CD2-CZ 3.61Å; F1024-F1034 HydrophobicContact CD2-CZ 3.61Å; F1024-F1034 AromaticContact CE2-CD1 3.55Å; F1024-F1034 HydrophobicContact CE2-CD1 3.55Å; F1024-F1034 AromaticContact CE2-CE1 3.49Å; F1024-F1034 HydrophobicContact CE2-CE1 3.49Å; F1024-F1034 VanDerWaalsContact CE2-CE1 3.49Å; F1024-F1034 HydrophobicContact CE2-CG 4.12Å; F1024-F1034 HydrophobicContact CE2-CZ 4.01Å; L1027-F1034 HydrophobicContact CD1-CD2 4.18Å; L1027-F1034 HydrophobicContact CD1-CE2 4.37Å; I1032-F1034 PolarHBondContact O-N 3.15Å; I1032-F1034 VanDerWaalsContact O-N 3.16Å; F1034-S1036 VanDerWaalsContact CE1-C 3.42Å; F1034-L1038 HydrophobicContact CD2-CB 4.46Å
1035D83.7Confident90.5Very high46 Ų4635.9 Ų35.925%0.24620%0.199CC..SBendtrans-13885.1178.7176.134.9000108.4R1037 V1039 K1059 R1062D1035-R1037 PolarHBondContact N-O 2.85Å; D1035-R1037 PolarHBondContact O-N 2.83Å; D1035-V1039 HydrophobicContact CB-CG2 3.93Å; D1035-K1059 IonicContact OD2-NZ 3.96Å; D1035-K1059 PolarHBondContact OD2-NZ 2.98Å; D1035-R1062 IonicContact OD1-NH2 3.12Å; D1035-R1062 PolarHBondContact OD1-NH2 2.7Å; D1035-R1062 IonicContact OD2-CZ 3.32Å; D1035-R1062 IonicContact OD2-NE 2.69Å; D1035-R1062 PolarHBondContact OD2-NE 2.98Å; D1035-R1062 IonicContact OD2-NH2 2.84Å; D1035-R1062 PolarHBondContact OD2-NH2 3.17Å
1036S82.8Confident90.8Very high57 Ų5732.2 Ų32.240%0.39918%0.183SC..SBendtrans61.2-22.1-166.475.60000116.1F1034F1034-S1036 VanDerWaalsContact CE1-C 3.42Å
1037R89.8Confident90.7Very high26 Ų2636 Ų3610%0.09820%0.203CC..SBendtrans-149.9163.3-178.2-68.5-59.7-172.5-89.41.3108.2D1035 V1039 P1056 I1057 K1059 E1072D1035-R1037 PolarHBondContact N-O 2.85Å; D1035-R1037 PolarHBondContact O-N 2.83Å; R1037-V1039 PolarHBondContact O-N 3Å; R1037-P1056 PolarHBondContact NE-O 3.36Å; R1037-I1057 CarbonylContact C-O 3.53Å; R1037-I1057 WeakPolarHBondContact CA-O 3.48Å; R1037-I1057 VanDerWaalsContact CB-O 3.27Å; R1037-I1057 WeakPolarHBondContact CB-O 3.41Å; R1037-I1057 WeakPolarHBondContact CD-O 3.23Å; R1037-K1059 HydrophobicContact CB-CB 3.61Å; R1037-K1059 HydrophobicContact CG-CB 4.31Å; R1037-E1072 IonicContact NH2-OE2 3.86Å; R1037-E1072 PolarHBondContact NH2-OE2 3.26Å
1038L92.8Very high90.7Very high0 Ų037.2 Ų37.20%021%0.21CC..EExtended strand (participates in β ladder)trans-69.6122.1175.6177.352.2000110.4I721 L1027 I1032 F1034 T1046 A1053 I1057 T1058 K1059I721-L1038 HydrophobicContact CB-CD2 4.2Å; I721-L1038 HydrophobicContact CD1-CD2 4.03Å; I721-L1038 HydrophobicContact CG2-CD2 4.06Å; L1027-L1038 HydrophobicContact CD1-CD1 4.44Å; L1027-L1038 HydrophobicContact CD1-CD2 4.21Å; L1027-L1038 HydrophobicContact CD2-CD1 4.4Å; L1027-L1038 HydrophobicContact CD2-CD2 4.29Å; I1032-L1038 HydrophobicContact CG2-CD1 3.32Å; F1034-L1038 HydrophobicContact CD2-CB 4.46Å; L1038-T1046 HydrophobicContact CD1-CG2 4.12Å; L1038-T1046 HydrophobicContact CD2-CG2 4.48Å; L1038-T1046 HydrophobicContact CG-CG2 4.4Å; L1038-A1053 HydrophobicContact CD2-CB 3.31Å; L1038-A1053 HydrophobicContact CG-CB 3.97Å; L1038-I1057 HydrophobicContact CB-CG1 4.14Å; L1038-I1057 PolarHBondContact N-O 3.2Å; L1038-T1058 CarbonylContact O-C 3.55Å; L1038-T1058 WeakPolarHBondContact O-CA 3.48Å; L1038-K1059 PolarHBondContact O-N 2.9Å
1039V93.2Very high90.8Very high17 Ų1736.6 Ų36.610%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-84.6127.9-173.9-178.60000111.2V1033 D1035 R1037 K1059 K1061V1033-V1039 HydrophobicContact CB-CB 4.2Å; V1033-V1039 HydrophobicContact CG1-CB 3.87Å; V1033-V1039 HydrophobicContact CG1-CG1 4.4Å; V1033-V1039 HydrophobicContact CG1-CG2 3.81Å; V1033-V1039 PolarHBondContact O-N 3.22Å; D1035-V1039 HydrophobicContact CB-CG2 3.93Å; R1037-V1039 PolarHBondContact O-N 3Å; V1039-K1059 CarbonylContact C-O 3.54Å; V1039-K1059 WeakPolarHBondContact CA-O 3.47Å; V1039-K1061 HydrophobicContact CG1-CB 4.39Å; V1039-K1061 HydrophobicContact CG1-CG 3.76Å
1040I92.7Very high90.8Very high1 Ų131.9 Ų31.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-130.1164.4178.659.8167000112.5F1044 H1045 T1046 A1053 T1058 K1059 L1060 K1061 H1071I1040-F1044 HydrophobicContact CD1-CD1 4.31Å; I1040-H1045 CarbonylContact C-O 3.31Å; I1040-H1045 WeakPolarHBondContact CA-O 3.4Å; I1040-T1046 HydrophobicContact CG2-CG2 4.25Å; I1040-A1053 HydrophobicContact CG2-CB 3.86Å; I1040-T1058 HydrophobicContact CD1-CG2 4.16Å; I1040-T1058 HydrophobicContact CG2-CG2 4.14Å; I1040-K1059 WeakPolarHBondContact CG1-O 3.33Å; I1040-K1059 PolarHBondContact N-O 2.84Å; I1040-L1060 HydrophobicContact CG1-CD2 4.36Å; I1040-L1060 CarbonylContact O-C 3.57Å; I1040-L1060 WeakPolarHBondContact O-CA 3.46Å; I1040-K1061 PolarHBondContact O-N 2.99Å; I1040-H1071 WeakPolarHBondContact CD1-CE1 3.42Å
1041D88.5Confident91Very high16 Ų1631.5 Ų31.59%0.08619%0.185CC..  trans-91.4-179.416460.533.3000113.9N1043 F1044 H1045 K1061D1041-N1043 PolarHBondContact O-N 2.99Å; D1041-N1043 VanDerWaalsContact OD1-C 3.24Å; D1041-N1043 WeakPolarHBondContact OD1-CA 3.4Å; D1041-N1043 PolarHBondContact OD1-N 3.37Å; D1041-F1044 PolarHBondContact O-N 3.43Å; D1041-F1044 PolarHBondContact OD1-N 3.29Å; D1041-H1045 PolarHBondContact N-O 2.92Å; D1041-H1045 IonicContact OD1-CG 2.75Å; D1041-H1045 PolarHBondContact OD1-N 2.93Å; D1041-H1045 IonicContact OD1-ND1 3.75Å; D1041-H1045 PolarHBondContact OD1-ND1 3.02Å; D1041-H1045 IonicContact OD2-CG 3.63Å; D1041-H1045 IonicContact OD2-ND1 3.57Å; D1041-K1061 HydrophobicContact CB-CD 4.19Å; D1041-K1061 IonicContact OD2-NZ 3.48Å
1042S85.6Confident91.2Very high27 Ų2727.5 Ų27.519%0.18916%0.158CC..THydrogen-bonded Turntrans-61.3-17.3177.650.40000114Y1064 D1104S1042-Y1064 WeakPolarHBondContact CB-OH 3.38Å; S1042-Y1064 PolarHBondContact OG-OH 2.8Å; S1042-Y1064 VanDerWaalsContact OG-OH 3.09Å; S1042-D1104 WeakPolarHBondContact CB-OD2 3.3Å; S1042-D1104 PolarHBondContact OG-OD2 2.87Å
1043N87.5Confident91.4Very high30 Ų3027.2 Ų27.216%0.1616%0.156CC..THydrogen-bonded Turntrans-10519.9176.6-63.1-46.4000112.4D1041 H1045D1041-N1043 PolarHBondContact O-N 2.99Å; D1041-N1043 VanDerWaalsContact OD1-C 3.24Å; D1041-N1043 WeakPolarHBondContact OD1-CA 3.4Å; D1041-N1043 PolarHBondContact OD1-N 3.37Å; N1043-H1045 WeakPolarHBondContact CB-ND1 3.33Å; N1043-H1045 PolarHBondContact O-N 3.27Å; N1043-H1045 PolarHBondContact O-ND1 3.42Å
1044F93.5Very high91.7Very high12 Ų1223.8 Ų23.85%0.05314%0.135CC..SBendtrans67.49175.9-49.1-86.8000116I1040 D1041 F1052 A1053 A1054 H1071 I1079 C1082 L1083 Q1086I1040-F1044 HydrophobicContact CD1-CD1 4.31Å; D1041-F1044 PolarHBondContact O-N 3.43Å; D1041-F1044 PolarHBondContact OD1-N 3.29Å; F1044-F1052 HydrophobicContact CB-CD1 4.19Å; F1044-F1052 VanDerWaalsContact O-CA 3.32Å; F1044-F1052 WeakPolarHBondContact O-CA 3.26Å; F1044-A1053 PolarHBondContact O-N 3.16Å; F1044-A1054 HydrophobicContact CD1-CB 3.96Å; F1044-A1054 HydrophobicContact CE1-CB 4.36Å; F1044-H1071 AromaticContact CD1-CE1 3.62Å; F1044-H1071 AromaticContact CE1-CE1 3.4Å; F1044-H1071 VanDerWaalsContact CE1-CE1 3.4Å; F1044-H1071 WeakPolarHBondContact CE1-CE1 3.48Å; F1044-H1071 AromaticContact CE1-NE2 3.69Å; F1044-I1079 HydrophobicContact CE1-CG2 4.14Å; F1044-C1082 HydrophobicContact CE2-CB 4.11Å; F1044-C1082 HydrophobicContact CZ-CB 3.78Å; F1044-L1083 HydrophobicContact CB-CD1 3.75Å; F1044-L1083 HydrophobicContact CD1-CB 4.4Å; F1044-L1083 HydrophobicContact CD2-CB 4.28Å; F1044-L1083 HydrophobicContact CD2-CD1 4.11Å; F1044-L1083 HydrophobicContact CE2-CB 4.42Å; F1044-L1083 HydrophobicContact CG-CB 4.29Å; F1044-L1083 HydrophobicContact CG-CD1 3.95Å; F1044-Q1086 HydrophobicContact CD2-CG 3.97Å; F1044-Q1086 HydrophobicContact CE2-CG 4.03Å
1045H92.9Very high92Very high20 Ų2021.4 Ų21.49%0.09313%0.125CC..BIsolated β-bridgetrans-78.2140.8177.5-54.390.3000110.6I1040 D1041 N1043 F1052I1040-H1045 CarbonylContact C-O 3.31Å; I1040-H1045 WeakPolarHBondContact CA-O 3.4Å; D1041-H1045 PolarHBondContact N-O 2.92Å; D1041-H1045 IonicContact OD1-CG 2.75Å; D1041-H1045 PolarHBondContact OD1-N 2.93Å; D1041-H1045 IonicContact OD1-ND1 3.75Å; D1041-H1045 PolarHBondContact OD1-ND1 3.02Å; D1041-H1045 IonicContact OD2-CG 3.63Å; D1041-H1045 IonicContact OD2-ND1 3.57Å; N1043-H1045 WeakPolarHBondContact CB-ND1 3.33Å; N1043-H1045 PolarHBondContact O-N 3.27Å; N1043-H1045 PolarHBondContact O-ND1 3.42Å; H1045-F1052 AromaticContact CD2-CE1 3.25Å; H1045-F1052 WeakPolarHBondContact CD2-CE1 3.22Å; H1045-F1052 AromaticContact CD2-CZ 3.28Å; H1045-F1052 WeakPolarHBondContact CD2-CZ 3.26Å; H1045-F1052 AromaticContact CE1-CE1 3.84Å; H1045-F1052 AromaticContact CG-CE1 3.91Å; H1045-F1052 AromaticContact NE2-CE1 3.23Å; H1045-F1052 WeakPolarHBondContact NE2-CE1 3.45Å; H1045-F1052 AromaticContact NE2-CZ 3.26Å; H1045-F1052 VanDerWaalsContact NE2-CZ 3.26Å; H1045-F1052 WeakPolarHBondContact NE2-CZ 3.48Å
1046T94.5Very high92.5Very high7 Ų720.3 Ų20.34%0.04312%0.12CC..  trans-79.9-165.3164.369.50000110.3I1032 L1038 I1040 D1048 I1051 A1053I1032-T1046 HydrophobicContact CG2-CG2 4.41Å; L1038-T1046 HydrophobicContact CD1-CG2 4.12Å; L1038-T1046 HydrophobicContact CD2-CG2 4.48Å; L1038-T1046 HydrophobicContact CG-CG2 4.4Å; I1040-T1046 HydrophobicContact CG2-CG2 4.25Å; T1046-D1048 PolarHBondContact O-N 3.03Å; T1046-D1048 PolarHBondContact OG1-N 2.85Å; T1046-D1048 VanDerWaalsContact OG1-N 3.15Å; T1046-D1048 PolarHBondContact OG1-O 2.74Å; T1046-D1048 VanDerWaalsContact OG1-O 3.12Å; T1046-I1051 WeakPolarHBondContact CB-O 3.28Å; T1046-I1051 HydrophobicContact CG2-CB 4.48Å; T1046-I1051 HydrophobicContact CG2-CG2 4.05Å; T1046-I1051 WeakPolarHBondContact CG2-O 3.36Å; T1046-I1051 PolarHBondContact N-O 2.84Å; T1046-I1051 WeakPolarHBondContact OG1-CB 3.48Å; T1046-I1051 PolarHBondContact OG1-O 3.09Å; T1046-A1053 HydrophobicContact CG2-CB 4.16Å
1047N92.1Very high93.1Very high79 Ų7917.6 Ų17.642%0.42210%0.101SC..SBendtrans-70.3-7.3169.264.7-40.5000113.8R701 C1031 I1032 V1033R701-N1047 PolarHBondContact NH1-ND2 3.29Å; R701-N1047 VanDerWaalsContact NH1-ND2 3.1Å; C1031-N1047 PolarHBondContact O-ND2 3.23Å; I1032-N1047 WeakPolarHBondContact CA-OD1 3.4Å; V1033-N1047 HydrophobicContact CG2-CB 3.95Å; V1033-N1047 PolarHBondContact N-OD1 2.89Å
1048D93.2Very high93.3Very high26 Ų2616.4 Ų16.414%0.13910%0.097CC..SBendtrans-110.9124.8170.1-172.4-42.9000109.1R701 T1046 S1050 I1051R701-D1048 WeakPolarHBondContact CD-OD2 3.39Å; T1046-D1048 PolarHBondContact O-N 3.03Å; T1046-D1048 PolarHBondContact OG1-N 2.85Å; T1046-D1048 VanDerWaalsContact OG1-N 3.15Å; T1046-D1048 PolarHBondContact OG1-O 2.74Å; T1046-D1048 VanDerWaalsContact OG1-O 3.12Å; D1048-S1050 PolarHBondContact O-N 2.86Å; D1048-S1050 WeakPolarHBondContact OD1-CB 3.31Å; D1048-S1050 PolarHBondContact OD1-N 2.88Å; D1048-S1050 PolarHBondContact OD1-OG 2.83Å; D1048-I1051 HydrophobicContact CB-CB 4.16Å; D1048-I1051 HydrophobicContact CB-CD1 3.97Å; D1048-I1051 HydrophobicContact CB-CG1 3.95Å; D1048-I1051 PolarHBondContact O-N 2.87Å
1049S90.7Very high93.3Very high79 Ų7916.6 Ų16.655%0.55210%0.098SC*.THydrogen-bonded Turntrans-68.5-15-176.458.50000114.1F1052S1049-F1052 WeakPolarHBondContact O-CE2 3.47Å
1050S93.7Very high93.1Very high3 Ų316.2 Ų16.22%0.02110%0.095CC..THydrogen-bonded Turntrans-92.4-4.4173.964.50000113.6K704 Y718 L719 D1048K704-S1050 WeakPolarHBondContact CE-OG 3.49Å; Y718-S1050 WeakPolarHBondContact CA-O 3.47Å; L719-S1050 PolarHBondContact N-O 3.07Å; D1048-S1050 PolarHBondContact O-N 2.86Å; D1048-S1050 WeakPolarHBondContact OD1-CB 3.31Å; D1048-S1050 PolarHBondContact OD1-N 2.88Å; D1048-S1050 PolarHBondContact OD1-OG 2.83Å
1051I96.8Very high92.8Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-117.3114.7-179.5-51.7-179.2000109.3I699 R701 Y716 L719 I721 I1032 T1046 D1048I699-I1051 HydrophobicContact CG2-CD1 4.12Å; R701-I1051 HydrophobicContact CG-CD1 4.07Å; Y716-I1051 HydrophobicContact CE2-CG1 4.16Å; Y716-I1051 WeakPolarHBondContact OH-CD1 3.44Å; L719-I1051 HydrophobicContact CB-CG1 4.26Å; L719-I1051 HydrophobicContact CB-CG2 4.42Å; L719-I1051 HydrophobicContact CD2-CD1 4.34Å; L719-I1051 HydrophobicContact CD2-CG1 4.41Å; L719-I1051 HydrophobicContact CD2-CG2 4.27Å; L719-I1051 HydrophobicContact CG-CG2 4.46Å; L719-I1051 CarbonylContact O-C 3.49Å; L719-I1051 VanDerWaalsContact O-CA 3.32Å; L719-I1051 WeakPolarHBondContact O-CA 3.31Å; I721-I1051 HydrophobicContact CD1-CG2 3.68Å; I1032-I1051 HydrophobicContact CD1-CD1 3.67Å; I1032-I1051 HydrophobicContact CD1-CG2 4.45Å; I1032-I1051 HydrophobicContact CG1-CD1 4.5Å; T1046-I1051 WeakPolarHBondContact CB-O 3.28Å; T1046-I1051 HydrophobicContact CG2-CB 4.48Å; T1046-I1051 HydrophobicContact CG2-CG2 4.05Å; T1046-I1051 WeakPolarHBondContact CG2-O 3.36Å; T1046-I1051 PolarHBondContact N-O 2.84Å; T1046-I1051 WeakPolarHBondContact OG1-CB 3.48Å; T1046-I1051 PolarHBondContact OG1-O 3.09Å; D1048-I1051 HydrophobicContact CB-CB 4.16Å; D1048-I1051 HydrophobicContact CB-CD1 3.97Å; D1048-I1051 HydrophobicContact CB-CG1 3.95Å; D1048-I1051 PolarHBondContact O-N 2.87Å
1052F97.3Very high92.4Very high3 Ų326.8 Ų26.81%0.01314%0.136CC..EExtended strand (participates in β ladder)trans-102.8154.5175.2-67.9-100.1000109.7Y718 L719 I720 I721 F1044 H1045 S1049 L1083 L1087 L1090Y718-F1052 HydrophobicContact CD1-CD2 4.46Å; Y718-F1052 AromaticContact CD1-CE2 3.88Å; Y718-F1052 HydrophobicContact CD1-CE2 3.88Å; Y718-F1052 HydrophobicContact CE1-CE2 4.34Å; L719-F1052 PolarHBondContact O-N 2.83Å; I720-F1052 CarbonylContact C-O 3.56Å; I720-F1052 WeakPolarHBondContact CA-O 3.16Å; I720-F1052 HydrophobicContact CG1-CB 4.18Å; I721-F1052 PolarHBondContact N-O 3.38Å; F1044-F1052 HydrophobicContact CB-CD1 4.19Å; F1044-F1052 VanDerWaalsContact O-CA 3.32Å; F1044-F1052 WeakPolarHBondContact O-CA 3.26Å; H1045-F1052 AromaticContact CD2-CE1 3.25Å; H1045-F1052 WeakPolarHBondContact CD2-CE1 3.22Å; H1045-F1052 AromaticContact CD2-CZ 3.28Å; H1045-F1052 WeakPolarHBondContact CD2-CZ 3.26Å; H1045-F1052 AromaticContact CE1-CE1 3.84Å; H1045-F1052 AromaticContact CG-CE1 3.91Å; H1045-F1052 AromaticContact NE2-CE1 3.23Å; H1045-F1052 WeakPolarHBondContact NE2-CE1 3.45Å; H1045-F1052 AromaticContact NE2-CZ 3.26Å; H1045-F1052 VanDerWaalsContact NE2-CZ 3.26Å; H1045-F1052 WeakPolarHBondContact NE2-CZ 3.48Å; S1049-F1052 WeakPolarHBondContact O-CE2 3.47Å; F1052-L1083 HydrophobicContact CB-CD1 4.12Å; F1052-L1083 HydrophobicContact CD1-CD1 3.88Å; F1052-L1083 HydrophobicContact CG-CD1 4.29Å; F1052-L1087 HydrophobicContact CD2-CD2 4.3Å; F1052-L1087 HydrophobicContact CE2-CD2 4.37Å; F1052-L1087 HydrophobicContact CG-CD2 4.45Å; F1052-L1090 HydrophobicContact CE2-CD1 4.29Å; F1052-L1090 HydrophobicContact CZ-CD1 3.96Å
1053A97.5Very high91.9Very high0 Ų029.3 Ų29.30%015%0.147CC..EExtended strand (participates in β ladder)trans-146.8147.4171.400000112I721 L1038 I1040 F1044 T1046 T1058I721-A1053 HydrophobicContact CB-CB 4.13Å; I721-A1053 VanDerWaalsContact O-CA 3.26Å; I721-A1053 WeakPolarHBondContact O-CA 3.37Å; L1038-A1053 HydrophobicContact CD2-CB 3.31Å; L1038-A1053 HydrophobicContact CG-CB 3.97Å; I1040-A1053 HydrophobicContact CG2-CB 3.86Å; F1044-A1053 PolarHBondContact O-N 3.16Å; T1046-A1053 HydrophobicContact CG2-CB 4.16Å; A1053-T1058 HydrophobicContact CB-CG2 3.63Å
1054A97.2Very high91.3Very high0 Ų028.8 Ų28.80%014%0.143CC..  trans-152.3165.6178.100000111.8T626 I721 T722 F1044 I1079 L1083T626-A1054 HydrophobicContact CG2-CB 3.75Å; I721-A1054 PolarHBondContact O-N 3.01Å; I721-A1054 VanDerWaalsContact O-N 3.08Å; T722-A1054 HydrophobicContact CG2-CB 4.36Å; F1044-A1054 HydrophobicContact CD1-CB 3.96Å; F1044-A1054 HydrophobicContact CE1-CB 4.36Å; A1054-I1079 HydrophobicContact CB-CG2 3.84Å; A1054-L1083 HydrophobicContact CB-CB 4.42Å; A1054-L1083 HydrophobicContact CB-CD2 3.64Å
1055G96.3Very high90.1Very high0 Ų038.5 Ų38.50%018%0.18CC..SBendtrans86.8-173.1179.900000113.9I1057 T1058 H1071G1055-I1057 PolarHBondContact O-N 3.16Å; G1055-T1058 PolarHBondContact O-N 3.05Å; G1055-T1058 PolarHBondContact O-OG1 2.9Å; G1055-H1071 PolarHBondContact N-ND1 3.46Å; G1055-H1071 WeakPolarHBondContact O-CB 3.43Å
1056P94.4Very high89Confident23 Ų2339.3 Ų39.315%0.14919%0.186CC..THydrogen-bonded Turntrans-58.4-17.6-168.6-29.437.9000116.6L725 R1037 T1058 E1072L725-P1056 HydrophobicContact CD1-CB 3.95Å; L725-P1056 HydrophobicContact CG-CB 3.83Å; R1037-P1056 PolarHBondContact NE-O 3.36Å; P1056-T1058 PolarHBondContact O-N 3.23Å; P1056-E1072 HydrophobicContact CB-CB 4.06Å; P1056-E1072 HydrophobicContact CB-CG 4.3Å
1057I94.4Very high88.1Confident0 Ų041.9 Ų41.90%020%0.199CC..THydrogen-bonded Turntrans-68.6-18.9173.1-172.1164.2000113.3I721 T723 V1019 V1023 L1027 R1037 L1038 G1055I721-I1057 HydrophobicContact CG2-CD1 4.26Å; T723-I1057 VanDerWaalsContact O-CB 3.31Å; T723-I1057 WeakPolarHBondContact O-CB 3.47Å; T723-I1057 WeakPolarHBondContact O-CG2 3.4Å; T723-I1057 WeakPolarHBondContact OG1-CD1 3.47Å; V1019-I1057 HydrophobicContact CG1-CD1 3.69Å; V1019-I1057 HydrophobicContact CG1-CG1 4.2Å; V1019-I1057 HydrophobicContact CG2-CD1 4.41Å; V1019-I1057 HydrophobicContact CG2-CG1 4.01Å; V1023-I1057 HydrophobicContact CG1-CD1 4.03Å; L1027-I1057 HydrophobicContact CD1-CD1 4.3Å; R1037-I1057 CarbonylContact C-O 3.53Å; R1037-I1057 WeakPolarHBondContact CA-O 3.48Å; R1037-I1057 VanDerWaalsContact CB-O 3.27Å; R1037-I1057 WeakPolarHBondContact CB-O 3.41Å; R1037-I1057 WeakPolarHBondContact CD-O 3.23Å; L1038-I1057 HydrophobicContact CB-CG1 4.14Å; L1038-I1057 PolarHBondContact N-O 3.2Å; G1055-I1057 PolarHBondContact O-N 3.16Å
1058T94.7Very high87.4Confident1 Ų143.5 Ų43.51%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-98.4157.7-169.862.60000115L1038 I1040 A1053 G1055 P1056 H1071L1038-T1058 CarbonylContact O-C 3.55Å; L1038-T1058 WeakPolarHBondContact O-CA 3.48Å; I1040-T1058 HydrophobicContact CD1-CG2 4.16Å; I1040-T1058 HydrophobicContact CG2-CG2 4.14Å; A1053-T1058 HydrophobicContact CB-CG2 3.63Å; G1055-T1058 PolarHBondContact O-N 3.05Å; G1055-T1058 PolarHBondContact O-OG1 2.9Å; P1056-T1058 PolarHBondContact O-N 3.23Å; T1058-H1071 PolarHBondContact OG1-ND1 3.15Å
1059K91.9Very high86.9Confident4 Ų444.5 Ų44.52%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-143.6145.4172.4178.2-168.7174.7-172.30109D1035 R1037 L1038 V1039 I1040 D1067 R1070D1035-K1059 IonicContact OD2-NZ 3.96Å; D1035-K1059 PolarHBondContact OD2-NZ 2.98Å; R1037-K1059 HydrophobicContact CB-CB 3.61Å; R1037-K1059 HydrophobicContact CG-CB 4.31Å; L1038-K1059 PolarHBondContact O-N 2.9Å; V1039-K1059 CarbonylContact C-O 3.54Å; V1039-K1059 WeakPolarHBondContact CA-O 3.47Å; I1040-K1059 WeakPolarHBondContact CG1-O 3.33Å; I1040-K1059 PolarHBondContact N-O 2.84Å; K1059-D1067 VanDerWaalsContact CE-CA 3.46Å; K1059-D1067 WeakPolarHBondContact CE-O 3.39Å; K1059-D1067 WeakPolarHBondContact CE-OD1 3.28Å; K1059-D1067 IonicContact NZ-OD1 2.61Å; K1059-D1067 PolarHBondContact NZ-OD1 3.33Å; K1059-D1067 IonicContact NZ-OD2 2.66Å; K1059-D1067 PolarHBondContact NZ-OD2 2.67Å; K1059-R1070 HydrophobicContact CB-CG 4.24Å; K1059-R1070 HydrophobicContact CG-CG 4.24Å
1060L89.5Confident86.8Confident9 Ų942.8 Ų42.85%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-70.4156.4175.2-67.5170.8000112.1I1040 Y1064 L1109 P1110I1040-L1060 HydrophobicContact CG1-CD2 4.36Å; I1040-L1060 CarbonylContact O-C 3.57Å; I1040-L1060 WeakPolarHBondContact O-CA 3.46Å; L1060-Y1064 HydrophobicContact CB-CD2 3.9Å; L1060-Y1064 HydrophobicContact CB-CE2 4.49Å; L1060-Y1064 HydrophobicContact CB-CG 4.45Å; L1060-L1109 HydrophobicContact CD1-CD2 3.86Å; L1060-P1110 HydrophobicContact CD1-CG 4.19Å
1061K85.8Confident86.8Confident85 Ų8543.1 Ų43.137%0.3719%0.185SC..  trans-52.4144.4172.3-71.9169.4-174.7171.60111.1V1039 I1040 D1041 I1063 Y1064V1039-K1061 HydrophobicContact CG1-CB 4.39Å; V1039-K1061 HydrophobicContact CG1-CG 3.76Å; I1040-K1061 PolarHBondContact O-N 2.99Å; D1041-K1061 HydrophobicContact CB-CD 4.19Å; D1041-K1061 IonicContact OD2-NZ 3.48Å; K1061-I1063 HydrophobicContact CB-CG2 4.07Å; K1061-I1063 PolarHBondContact O-N 3.43Å; K1061-Y1064 HydrophobicContact CB-CD2 4.22Å; K1061-Y1064 HydrophobicContact CB-CE2 4.29Å; K1061-Y1064 VanDerWaalsContact O-CD2 3.29Å; K1061-Y1064 WeakPolarHBondContact O-CD2 3.44Å; K1061-Y1064 PolarHBondContact O-N 3.35Å; K1061-Y1064 VanDerWaalsContact O-N 3.14Å
1062R80.5Confident86.6Confident155 Ų15545.1 Ų45.159%0.58519%0.194SC*.G310 helixtrans-59.6-19-178.8-70.5-173.4-178-176.6-3.1114.9D1035 Y1064 Y1065D1035-R1062 IonicContact OD1-NH2 3.12Å; D1035-R1062 PolarHBondContact OD1-NH2 2.7Å; D1035-R1062 IonicContact OD2-CZ 3.32Å; D1035-R1062 IonicContact OD2-NE 2.69Å; D1035-R1062 PolarHBondContact OD2-NE 2.98Å; D1035-R1062 IonicContact OD2-NH2 2.84Å; D1035-R1062 PolarHBondContact OD2-NH2 3.17Å; R1062-Y1064 PolarHBondContact O-N 2.88Å; R1062-Y1065 PolarHBondContact O-N 3.35Å
1063I76.2Confident86.2Confident80 Ų8046.2 Ų46.241%0.4120%0.199SC..G310 helixtrans-61.2-21.1177-162158.5000113.1K1061 Y1065 F1107K1061-I1063 HydrophobicContact CB-CG2 4.07Å; K1061-I1063 PolarHBondContact O-N 3.43Å; I1063-Y1065 WeakPolarHBondContact O-CD2 3.41Å; I1063-Y1065 WeakPolarHBondContact O-CE2 3.16Å; I1063-Y1065 PolarHBondContact O-N 3.5Å; I1063-F1107 HydrophobicContact CB-CD1 4.46Å; I1063-F1107 HydrophobicContact CB-CE1 4.41Å; I1063-F1107 HydrophobicContact CD1-CD1 4.12Å; I1063-F1107 HydrophobicContact CD1-CE1 3.35Å; I1063-F1107 HydrophobicContact CD1-CZ 3.66Å; I1063-F1107 HydrophobicContact CG1-CD1 3.84Å; I1063-F1107 HydrophobicContact CG1-CE1 3.62Å; I1063-F1107 HydrophobicContact CG1-CZ 4.21Å; I1063-F1107 HydrophobicContact CG2-CD1 3.87Å; I1063-F1107 HydrophobicContact CG2-CE1 3.92Å
1064Y74.4Confident85.9Confident19 Ų1946.3 Ų46.38%0.07520%0.201CC..G310 helixtrans-78.42.3172.9-64.7-83000113.3S1042 L1060 K1061 R1062 N1066 D1104 F1107 L1109S1042-Y1064 WeakPolarHBondContact CB-OH 3.38Å; S1042-Y1064 PolarHBondContact OG-OH 2.8Å; S1042-Y1064 VanDerWaalsContact OG-OH 3.09Å; L1060-Y1064 HydrophobicContact CB-CD2 3.9Å; L1060-Y1064 HydrophobicContact CB-CE2 4.49Å; L1060-Y1064 HydrophobicContact CB-CG 4.45Å; K1061-Y1064 HydrophobicContact CB-CD2 4.22Å; K1061-Y1064 HydrophobicContact CB-CE2 4.29Å; K1061-Y1064 VanDerWaalsContact O-CD2 3.29Å; K1061-Y1064 WeakPolarHBondContact O-CD2 3.44Å; K1061-Y1064 PolarHBondContact O-N 3.35Å; K1061-Y1064 VanDerWaalsContact O-N 3.14Å; R1062-Y1064 PolarHBondContact O-N 2.88Å; Y1064-N1066 PolarHBondContact O-N 2.79Å; Y1064-D1104 PolarHBondContact OH-OD2 2.86Å; Y1064-F1107 HydrophobicContact CD1-CB 4.44Å; Y1064-L1109 HydrophobicContact CD1-CD2 4.38Å; Y1064-L1109 HydrophobicContact CG-CD2 4.41Å
1065Y67Low85.8Confident215 Ų21547.4 Ų47.484%0.84321%0.206SC*.SBendtrans48.932.5176.9-63.4-81.4000115.6R1062 I1063R1062-Y1065 PolarHBondContact O-N 3.35Å; I1063-Y1065 WeakPolarHBondContact O-CD2 3.41Å; I1063-Y1065 WeakPolarHBondContact O-CE2 3.16Å; I1063-Y1065 PolarHBondContact O-N 3.5Å
1066N71.4Confident85.8Confident38 Ų3848.8 Ų48.820%0.20322%0.216CC..  trans-146.197.4176.1-164.2-29.4000112.7Y1064 Y1068 W1069 L1109Y1064-N1066 PolarHBondContact O-N 2.79Å; N1066-Y1068 PolarHBondContact O-N 3.05Å; N1066-Y1068 PolarHBondContact OD1-N 2.76Å; N1066-Y1068 VanDerWaalsContact OD1-N 3.16Å; N1066-W1069 HydrophobicContact CB-CB 3.93Å; N1066-W1069 PolarHBondContact O-N 3.27Å; N1066-W1069 PolarHBondContact OD1-N 3.39Å; N1066-L1109 HydrophobicContact CB-CD1 4.36Å
1067D74.5Confident85.9Confident61 Ų6148.5 Ų48.533%0.32621%0.213SC..THydrogen-bonded Turntrans-72.7-13.9-176.7-83.5-10.1000114.6K1059 R1070K1059-D1067 VanDerWaalsContact CE-CA 3.46Å; K1059-D1067 WeakPolarHBondContact CE-O 3.39Å; K1059-D1067 WeakPolarHBondContact CE-OD1 3.28Å; K1059-D1067 IonicContact NZ-OD1 2.61Å; K1059-D1067 PolarHBondContact NZ-OD1 3.33Å; K1059-D1067 IonicContact NZ-OD2 2.66Å; K1059-D1067 PolarHBondContact NZ-OD2 2.67Å; D1067-R1070 PolarHBondContact O-NE 2.95Å; D1067-R1070 PolarHBondContact O-NH2 3.44Å
1068Y77.6Confident86.1Confident112 Ų11249.6 Ų49.644%0.43922%0.218SC..THydrogen-bonded Turntrans-103.3-13.6-176.9-57.6-74.1000112.5H946 N1066 R1070H946-Y1068 HydrophobicContact CB-CE1 4.29Å; H946-Y1068 AromaticContact CD2-CE1 3.97Å; H946-Y1068 AromaticContact CD2-CZ 3.86Å; N1066-Y1068 PolarHBondContact O-N 3.05Å; N1066-Y1068 PolarHBondContact OD1-N 2.76Å; N1066-Y1068 VanDerWaalsContact OD1-N 3.16Å; Y1068-R1070 VanDerWaalsContact C-N 3.3Å; Y1068-R1070 PolarHBondContact O-N 3.38Å
1069W83.8Confident86.2Confident47 Ų4749.5 Ų49.518%0.17822%0.217CC..  trans-7483.2172-160.4-92.1000110.8N1066 I1073 L1109 P1110 L1136N1066-W1069 HydrophobicContact CB-CB 3.93Å; N1066-W1069 PolarHBondContact O-N 3.27Å; N1066-W1069 PolarHBondContact OD1-N 3.39Å; W1069-I1073 HydrophobicContact CD2-CD1 3.79Å; W1069-I1073 HydrophobicContact CE3-CD1 3.7Å; W1069-I1073 HydrophobicContact CG-CD1 4.32Å; W1069-I1073 HydrophobicContact CH2-CD1 4.34Å; W1069-I1073 HydrophobicContact CZ2-CD1 4.42Å; W1069-I1073 HydrophobicContact CZ3-CD1 3.99Å; W1069-L1109 HydrophobicContact CB-CD1 4.44Å; W1069-L1109 HydrophobicContact CB-CD2 4.21Å; W1069-L1109 HydrophobicContact CD2-CD1 3.97Å; W1069-L1109 HydrophobicContact CE3-CD1 4.33Å; W1069-L1109 HydrophobicContact CG-CD1 4.02Å; W1069-L1109 HydrophobicContact CG-CD2 3.94Å; W1069-L1109 HydrophobicContact CG-CG 4.45Å; W1069-P1110 PolarHBondContact NE1-O 3.23Å; W1069-L1136 HydrophobicContact CE3-CG 4.39Å
1070R88.9Confident86.4Confident44 Ų4449.3 Ų49.317%0.16622%0.217CC..  trans-115.7153.1-176.9-60.7171.5-168.9171.93.2109.5K1059 D1067 Y1068 E1072 I1073K1059-R1070 HydrophobicContact CB-CG 4.24Å; K1059-R1070 HydrophobicContact CG-CG 4.24Å; D1067-R1070 PolarHBondContact O-NE 2.95Å; D1067-R1070 PolarHBondContact O-NH2 3.44Å; Y1068-R1070 VanDerWaalsContact C-N 3.3Å; Y1068-R1070 PolarHBondContact O-N 3.38Å; R1070-E1072 HydrophobicContact CB-CB 4.29Å; R1070-E1072 PolarHBondContact O-N 3.45Å; R1070-I1073 VanDerWaalsContact O-CG1 3.28Å; R1070-I1073 WeakPolarHBondContact O-CG1 3.43Å; R1070-I1073 PolarHBondContact O-N 3.29Å
1071H92.7Very high86.8Confident10 Ų1050.4 Ų50.45%0.04622%0.221CC..G310 helixtrans-55.8-20.8173.4-76.5158000114I1040 F1044 G1055 T1058 I1073 A1074 I1079 F1112I1040-H1071 WeakPolarHBondContact CD1-CE1 3.42Å; F1044-H1071 AromaticContact CD1-CE1 3.62Å; F1044-H1071 AromaticContact CE1-CE1 3.4Å; F1044-H1071 VanDerWaalsContact CE1-CE1 3.4Å; F1044-H1071 WeakPolarHBondContact CE1-CE1 3.48Å; F1044-H1071 AromaticContact CE1-NE2 3.69Å; G1055-H1071 PolarHBondContact N-ND1 3.46Å; G1055-H1071 WeakPolarHBondContact O-CB 3.43Å; T1058-H1071 PolarHBondContact OG1-ND1 3.15Å; H1071-I1073 PolarHBondContact O-N 3.22Å; H1071-A1074 PolarHBondContact O-N 2.86Å; H1071-A1074 VanDerWaalsContact O-N 3.13Å; H1071-I1079 HydrophobicContact CB-CD1 3.57Å; H1071-I1079 VanDerWaalsContact O-CD1 3.24Å; H1071-I1079 WeakPolarHBondContact O-CD1 3.38Å; H1071-F1112 AromaticContact CD2-CZ 3.62Å; H1071-F1112 AromaticContact NE2-CZ 3.75Å
1072E91.6Very high87.3Confident42 Ų4248.4 Ų48.420%0.19622%0.218CC..G310 helixtrans-54.8-28.4172.5-174.5174.917700113.9R1037 P1056 R1070 K1116R1037-E1072 IonicContact NH2-OE2 3.86Å; R1037-E1072 PolarHBondContact NH2-OE2 3.26Å; P1056-E1072 HydrophobicContact CB-CB 4.06Å; P1056-E1072 HydrophobicContact CB-CG 4.3Å; R1070-E1072 HydrophobicContact CB-CB 4.29Å; R1070-E1072 PolarHBondContact O-N 3.45Å; E1072-K1116 WeakPolarHBondContact O-CE 3.06Å; E1072-K1116 PolarHBondContact O-NZ 3.11Å
1073I89.3Confident88Confident25 Ų2541 Ų4113%0.12819%0.19CC..G310 helixtrans-81.9-15.5-179.378.1-167.9000113.3W1069 R1070 H1071 K1116W1069-I1073 HydrophobicContact CD2-CD1 3.79Å; W1069-I1073 HydrophobicContact CE3-CD1 3.7Å; W1069-I1073 HydrophobicContact CG-CD1 4.32Å; W1069-I1073 HydrophobicContact CH2-CD1 4.34Å; W1069-I1073 HydrophobicContact CZ2-CD1 4.42Å; W1069-I1073 HydrophobicContact CZ3-CD1 3.99Å; R1070-I1073 VanDerWaalsContact O-CG1 3.28Å; R1070-I1073 WeakPolarHBondContact O-CG1 3.43Å; R1070-I1073 PolarHBondContact O-N 3.29Å; H1071-I1073 PolarHBondContact O-N 3.22Å; I1073-K1116 WeakPolarHBondContact O-CD 3.32Å
1074A92.1Very high88.9Confident3 Ų337.2 Ų37.23%0.02517%0.17CC..SBendtrans-107.5172.1-172.200000112.3H1071 S1076 I1079 F1112 P1134H1071-A1074 PolarHBondContact O-N 2.86Å; H1071-A1074 VanDerWaalsContact O-N 3.13Å; A1074-S1076 PolarHBondContact O-N 3.03Å; A1074-I1079 HydrophobicContact CB-CD1 3.77Å; A1074-I1079 HydrophobicContact CB-CG1 4.33Å; A1074-F1112 HydrophobicContact CB-CB 3.98Å; A1074-F1112 HydrophobicContact CB-CD1 4.4Å; A1074-F1112 HydrophobicContact CB-CD2 3.47Å; A1074-F1112 VanDerWaalsContact CB-CD2 3.47Å; A1074-F1112 HydrophobicContact CB-CE2 4.04Å; A1074-F1112 HydrophobicContact CB-CG 3.68Å; A1074-P1134 HydrophobicContact CB-CB 4.13Å; A1074-P1134 HydrophobicContact CB-CG 4.27Å
1075N95.5Very high89.8Confident23 Ų2339.4 Ų39.412%0.12318%0.183CC..  trans-67.9119.8176.4-171.9-63.4000110.5M1077 E1078 I1079 Q1114 S1115N1075-M1077 VanDerWaalsContact C-N 3.26Å; N1075-M1077 PolarHBondContact O-N 3.5Å; N1075-M1077 WeakPolarHBondContact OD1-CA 3.38Å; N1075-M1077 WeakPolarHBondContact OD1-CB 3.27Å; N1075-M1077 PolarHBondContact OD1-N 2.93Å; N1075-E1078 HydrophobicContact CB-CB 4.02Å; N1075-E1078 PolarHBondContact O-N 2.96Å; N1075-E1078 PolarHBondContact OD1-N 3.39Å; N1075-E1078 VanDerWaalsContact OD1-N 3.13Å; N1075-I1079 WeakPolarHBondContact O-CD1 3.29Å; N1075-I1079 WeakPolarHBondContact O-CG1 3.32Å; N1075-I1079 PolarHBondContact O-N 2.81Å; N1075-I1079 VanDerWaalsContact O-N 3.1Å; N1075-Q1114 HydrophobicContact CB-CB 3.86Å; N1075-S1115 WeakPolarHBondContact CB-O 3.36Å; N1075-S1115 PolarHBondContact ND2-O 2.94Å
1076S96.6Very high91Very high28 Ų2832.2 Ų32.220%0.19616%0.157CC..Hα-helixtrans-65.9-27.4-176.7-72.60000113.6T626 A1074 G1080T626-S1076 WeakPolarHBondContact CA-O 3.38Å; T626-S1076 WeakPolarHBondContact OG1-CB 3.23Å; T626-S1076 PolarHBondContact OG1-O 3.1Å; T626-S1076 VanDerWaalsContact OG1-O 3.12Å; A1074-S1076 PolarHBondContact O-N 3.03Å; S1076-G1080 PolarHBondContact O-N 2.88Å
1077M96.5Very high92Very high18 Ų1830.4 Ų30.49%0.08915%0.147CC..Hα-helixtrans-71.9-45.6174.6-167.3-17077.500110.8T625 A629 A674 Y675 N1075 I1079 G1080 H1081T625-M1077 HydrophobicContact CG2-CB 4.24Å; A629-M1077 HydrophobicContact CB-CG 4.07Å; A629-M1077 WeakPolarHBondContact CB-O 3.39Å; A674-M1077 HydrophobicContact CB-CB 4.24Å; A674-M1077 HydrophobicContact CB-SD 4.4Å; Y675-M1077 HydrophobicContact CE2-CG 4.18Å; N1075-M1077 VanDerWaalsContact C-N 3.26Å; N1075-M1077 PolarHBondContact O-N 3.5Å; N1075-M1077 WeakPolarHBondContact OD1-CA 3.38Å; N1075-M1077 WeakPolarHBondContact OD1-CB 3.27Å; N1075-M1077 PolarHBondContact OD1-N 2.93Å; M1077-I1079 VanDerWaalsContact C-N 3.34Å; M1077-I1079 PolarHBondContact O-N 3.26Å; M1077-G1080 PolarHBondContact O-N 3.16Å; M1077-H1081 PolarHBondContact O-N 3.32Å
1078E96.8Very high92.8Very high22 Ų2227.9 Ų27.910%0.10313%0.134CC..Hα-helixtrans-57.9-47.3175.5-174.1175.2-158.300111.4N1075 G1080 H1081 C1082 F1112 K1113 Q1114N1075-E1078 HydrophobicContact CB-CB 4.02Å; N1075-E1078 PolarHBondContact O-N 2.96Å; N1075-E1078 PolarHBondContact OD1-N 3.39Å; N1075-E1078 VanDerWaalsContact OD1-N 3.13Å; E1078-G1080 VanDerWaalsContact C-N 3.32Å; E1078-G1080 PolarHBondContact O-N 3.21Å; E1078-H1081 PolarHBondContact O-N 3.33Å; E1078-C1082 PolarHBondContact O-N 3.28Å; E1078-C1082 PolarHBondContact O-SG 3.02Å; E1078-C1082 VanDerWaalsContact O-SG 3.33Å; E1078-F1112 HydrophobicContact CG-CD1 4.36Å; E1078-F1112 WeakPolarHBondContact OE2-CB 3.41Å; E1078-K1113 VanDerWaalsContact CD-N 3.35Å; E1078-K1113 PolarHBondContact OE1-N 3.08Å; E1078-K1113 PolarHBondContact OE2-N 3.38Å; E1078-Q1114 HydrophobicContact CB-CB 4.2Å; E1078-Q1114 HydrophobicContact CB-CG 4.13Å; E1078-Q1114 HydrophobicContact CG-CG 4.21Å; E1078-Q1114 WeakPolarHBondContact OE2-CB 3.44Å; E1078-Q1114 PolarHBondContact OE2-N 3.35Å
1079I96.7Very high93.3Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-58.2-44.9177.9-69.8159.9000111.4T626 F1044 A1054 H1071 A1074 N1075 M1077 C1082 L1083 F1112T626-I1079 HydrophobicContact CG2-CG2 4.03Å; F1044-I1079 HydrophobicContact CE1-CG2 4.14Å; A1054-I1079 HydrophobicContact CB-CG2 3.84Å; H1071-I1079 HydrophobicContact CB-CD1 3.57Å; H1071-I1079 VanDerWaalsContact O-CD1 3.24Å; H1071-I1079 WeakPolarHBondContact O-CD1 3.38Å; A1074-I1079 HydrophobicContact CB-CD1 3.77Å; A1074-I1079 HydrophobicContact CB-CG1 4.33Å; N1075-I1079 WeakPolarHBondContact O-CD1 3.29Å; N1075-I1079 WeakPolarHBondContact O-CG1 3.32Å; N1075-I1079 PolarHBondContact O-N 2.81Å; N1075-I1079 VanDerWaalsContact O-N 3.1Å; M1077-I1079 VanDerWaalsContact C-N 3.34Å; M1077-I1079 PolarHBondContact O-N 3.26Å; I1079-C1082 PolarHBondContact O-N 2.94Å; I1079-L1083 PolarHBondContact O-N 3.33Å; I1079-F1112 HydrophobicContact CG1-CD1 4.19Å; I1079-F1112 HydrophobicContact CG1-CE1 3.72Å; I1079-F1112 HydrophobicContact CG1-CZ 4.02Å
1080G97.5Very high93.4Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-66.8-37.9179.200000112.7V630 S1076 M1077 E1078 L1083 G1084V630-G1080 VanDerWaalsContact CG2-O 3.32Å; V630-G1080 WeakPolarHBondContact CG2-O 3.37Å; S1076-G1080 PolarHBondContact O-N 2.88Å; M1077-G1080 PolarHBondContact O-N 3.16Å; E1078-G1080 VanDerWaalsContact C-N 3.32Å; E1078-G1080 PolarHBondContact O-N 3.21Å; G1080-L1083 PolarHBondContact O-N 2.99Å; G1080-G1084 PolarHBondContact O-N 3.16Å
1081H97.1Very high93.2Very high32 Ų3225.3 Ų25.315%0.14813%0.133CC..Hα-helixtrans-62.4-43.8171.5-70.4157.3000112.2A629 E632 M1077 E1078 L1083 G1084 D1085A629-H1081 PolarHBondContact O-CD2 3.01Å; E632-H1081 IonicContact OE2-NE2 2.77Å; M1077-H1081 PolarHBondContact O-N 3.32Å; E1078-H1081 PolarHBondContact O-N 3.33Å; H1081-L1083 PolarHBondContact O-N 2.9Å; H1081-G1084 WeakPolarHBondContact O-CA 3.19Å; H1081-G1084 PolarHBondContact O-N 2.98Å; H1081-G1084 VanDerWaalsContact O-N 3.13Å; H1081-D1085 PolarHBondContact O-N 3.26Å
1082C95.9Very high92.5Very high43 Ų4326.4 Ų26.429%0.29114%0.139SC..Hα-helixtrans-61-42.8176.8-69.20000112.2F1044 E1078 I1079 G1084 D1085 Q1086F1044-C1082 HydrophobicContact CE2-CB 4.11Å; F1044-C1082 HydrophobicContact CZ-CB 3.78Å; E1078-C1082 PolarHBondContact O-N 3.28Å; E1078-C1082 PolarHBondContact O-SG 3.02Å; E1078-C1082 VanDerWaalsContact O-SG 3.33Å; I1079-C1082 PolarHBondContact O-N 2.94Å; C1082-G1084 VanDerWaalsContact C-N 3.35Å; C1082-D1085 PolarHBondContact O-N 3.3Å; C1082-Q1086 WeakPolarHBondContact O-CG 3.19Å; C1082-Q1086 PolarHBondContact O-N 3.01Å; C1082-Q1086 VanDerWaalsContact O-N 3.09Å
1083L96.3Very high91.3Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-64.4-40.6173.2173.958.1000111.3V630 I720 F1044 F1052 A1054 I1079 G1080 H1081 D1085 Q1086 L1087V630-L1083 HydrophobicContact CG2-CB 4.1Å; V630-L1083 HydrophobicContact CG2-CD2 3.83Å; V630-L1083 HydrophobicContact CG2-CG 4.01Å; I720-L1083 HydrophobicContact CG2-CD2 3.69Å; F1044-L1083 HydrophobicContact CB-CD1 3.75Å; F1044-L1083 HydrophobicContact CD1-CB 4.4Å; F1044-L1083 HydrophobicContact CD2-CB 4.28Å; F1044-L1083 HydrophobicContact CD2-CD1 4.11Å; F1044-L1083 HydrophobicContact CE2-CB 4.42Å; F1044-L1083 HydrophobicContact CG-CB 4.29Å; F1044-L1083 HydrophobicContact CG-CD1 3.95Å; F1052-L1083 HydrophobicContact CB-CD1 4.12Å; F1052-L1083 HydrophobicContact CD1-CD1 3.88Å; F1052-L1083 HydrophobicContact CG-CD1 4.29Å; A1054-L1083 HydrophobicContact CB-CB 4.42Å; A1054-L1083 HydrophobicContact CB-CD2 3.64Å; I1079-L1083 PolarHBondContact O-N 3.33Å; G1080-L1083 PolarHBondContact O-N 2.99Å; H1081-L1083 PolarHBondContact O-N 2.9Å; L1083-D1085 VanDerWaalsContact C-N 3.33Å; L1083-D1085 PolarHBondContact O-N 3.4Å; L1083-Q1086 PolarHBondContact O-N 2.98Å; L1083-L1087 HydrophobicContact CD1-CD1 4.25Å; L1083-L1087 HydrophobicContact CD1-CG 4.14Å; L1083-L1087 HydrophobicContact CG-CD1 4.11Å; L1083-L1087 HydrophobicContact CG-CG 4.48Å; L1083-L1087 WeakPolarHBondContact O-CG 3.37Å; L1083-L1087 PolarHBondContact O-N 3.01Å
1084G95.9Very high90.3Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-57.9-42.9174.300000113G1080 H1081 C1082 L1087 L1088G1080-G1084 PolarHBondContact O-N 3.16Å; H1081-G1084 WeakPolarHBondContact O-CA 3.19Å; H1081-G1084 PolarHBondContact O-N 2.98Å; H1081-G1084 VanDerWaalsContact O-N 3.13Å; C1082-G1084 VanDerWaalsContact C-N 3.35Å; G1084-L1087 PolarHBondContact O-N 3.28Å; G1084-L1088 WeakPolarHBondContact O-CG 3.39Å; G1084-L1088 PolarHBondContact O-N 3.26Å
1085D92.7Very high89.1Confident65 Ų6536.8 Ų36.835%0.34820%0.199SC..Hα-helixtrans-61.2-43.8173.7-76.3-43.2000111.8K633 H1081 C1082 L1083 L1087 L1088 N1089K633-D1085 WeakPolarHBondContact CE-OD1 3.37Å; K633-D1085 IonicContact NZ-OD1 2.98Å; K633-D1085 PolarHBondContact NZ-OD1 2.82Å; K633-D1085 IonicContact NZ-OD2 2.82Å; H1081-D1085 PolarHBondContact O-N 3.26Å; C1082-D1085 PolarHBondContact O-N 3.3Å; L1083-D1085 VanDerWaalsContact C-N 3.33Å; L1083-D1085 PolarHBondContact O-N 3.4Å; D1085-L1087 VanDerWaalsContact C-N 3.33Å; D1085-L1087 PolarHBondContact O-N 3.48Å; D1085-L1088 PolarHBondContact O-N 3.08Å; D1085-N1089 VanDerWaalsContact O-CG 3.26Å; D1085-N1089 PolarHBondContact O-N 2.9Å; D1085-N1089 VanDerWaalsContact O-N 3.11Å; D1085-N1089 PolarHBondContact O-ND2 3.07Å
1086Q90.8Very high87.4Confident63 Ų6344.2 Ų44.229%0.29423%0.233SC..Hα-helixtrans-61.9-40.1176.4-68.6-63.6-19.600112.4F1044 C1082 L1083 N1089F1044-Q1086 HydrophobicContact CD2-CG 3.97Å; F1044-Q1086 HydrophobicContact CE2-CG 4.03Å; C1082-Q1086 WeakPolarHBondContact O-CG 3.19Å; C1082-Q1086 PolarHBondContact O-N 3.01Å; C1082-Q1086 VanDerWaalsContact O-N 3.09Å; L1083-Q1086 PolarHBondContact O-N 2.98Å; Q1086-N1089 WeakPolarHBondContact O-CB 3.49Å; Q1086-N1089 PolarHBondContact O-N 2.96Å
1087L92.6Very high85.6Confident0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-67.8-39.3177-68.4167.1000112.2V630 L634 I720 F1052 L1083 G1084 D1085 N1089 L1090 F1091V630-L1087 HydrophobicContact CG1-CD1 3.81Å; L634-L1087 HydrophobicContact CD1-CD1 4.32Å; L634-L1087 HydrophobicContact CD2-CB 4.19Å; I720-L1087 HydrophobicContact CD1-CD1 3.33Å; I720-L1087 HydrophobicContact CD1-CD2 4.2Å; I720-L1087 HydrophobicContact CD1-CG 4.41Å; I720-L1087 HydrophobicContact CG1-CD1 4.21Å; F1052-L1087 HydrophobicContact CD2-CD2 4.3Å; F1052-L1087 HydrophobicContact CE2-CD2 4.37Å; F1052-L1087 HydrophobicContact CG-CD2 4.45Å; L1083-L1087 HydrophobicContact CD1-CD1 4.25Å; L1083-L1087 HydrophobicContact CD1-CG 4.14Å; L1083-L1087 HydrophobicContact CG-CD1 4.11Å; L1083-L1087 HydrophobicContact CG-CG 4.48Å; L1083-L1087 WeakPolarHBondContact O-CG 3.37Å; L1083-L1087 PolarHBondContact O-N 3.01Å; G1084-L1087 PolarHBondContact O-N 3.28Å; D1085-L1087 VanDerWaalsContact C-N 3.33Å; D1085-L1087 PolarHBondContact O-N 3.48Å; L1087-N1089 VanDerWaalsContact C-N 3.27Å; L1087-N1089 PolarHBondContact O-N 3.34Å; L1087-L1090 HydrophobicContact CD2-CD1 4.09Å; L1087-L1090 WeakPolarHBondContact O-CB 3.13Å; L1087-L1090 PolarHBondContact O-N 3.27Å; L1087-F1091 WeakPolarHBondContact O-CD2 3.4Å; L1087-F1091 WeakPolarHBondContact O-CE2 3.48Å
1088L91.5Very high83.6Confident9 Ų952.7 Ų52.75%0.04728%0.28CS..Hα-helixtrans-62.2-36.4175.7-72.8171.6000111.7K633 L634 C637 V640 F642 G1084 D1085 L1090 F1091 D1092K633-L1088 HydrophobicContact CG-CD1 4.2Å; L634-L1088 HydrophobicContact CD2-CD2 3.92Å; L634-L1088 HydrophobicContact CD2-CG 3.95Å; C637-L1088 HydrophobicContact CB-CD2 4.26Å; V640-L1088 HydrophobicContact CG2-CD2 4.42Å; F642-L1088 HydrophobicContact CE2-CD2 4.07Å; F642-L1088 HydrophobicContact CZ-CD2 4.06Å; G1084-L1088 WeakPolarHBondContact O-CG 3.39Å; G1084-L1088 PolarHBondContact O-N 3.26Å; D1085-L1088 PolarHBondContact O-N 3.08Å; L1088-L1090 PolarHBondContact O-N 2.94Å; L1088-F1091 CarbonylContact O-C 3.59Å; L1088-F1091 PolarHBondContact O-N 2.84Å; L1088-D1092 PolarHBondContact O-N 3.46Å; L1088-D1092 VanDerWaalsContact O-N 3.13Å
1089N88.7Confident81.5Confident70 Ų7062.1 Ų62.137%0.37432%0.321SS..Hα-helixtrans-62.5-27.5176.4-66.1-23.4000113.2D1085 Q1086 L1087 F1091 I1095D1085-N1089 VanDerWaalsContact O-CG 3.26Å; D1085-N1089 PolarHBondContact O-N 2.9Å; D1085-N1089 VanDerWaalsContact O-N 3.11Å; D1085-N1089 PolarHBondContact O-ND2 3.07Å; Q1086-N1089 WeakPolarHBondContact O-CB 3.49Å; Q1086-N1089 PolarHBondContact O-N 2.96Å; L1087-N1089 VanDerWaalsContact C-N 3.27Å; L1087-N1089 PolarHBondContact O-N 3.34Å; N1089-F1091 PolarHBondContact O-N 2.83Å; N1089-I1095 HydrophobicContact CB-CD1 4.21Å
1090L85.6Confident79.6Confident49 Ų4965 Ų6526%0.25735%0.345SS..THydrogen-bonded Turntrans-67.6-18.1175.9-60176.9000113.1Y718 F1052 L1087 L1088 N1097Y718-L1090 HydrophobicContact CD1-CD1 4.33Å; Y718-L1090 HydrophobicContact CE1-CD1 3.8Å; F1052-L1090 HydrophobicContact CE2-CD1 4.29Å; F1052-L1090 HydrophobicContact CZ-CD1 3.96Å; L1087-L1090 HydrophobicContact CD2-CD1 4.09Å; L1087-L1090 WeakPolarHBondContact O-CB 3.13Å; L1087-L1090 PolarHBondContact O-N 3.27Å; L1088-L1090 PolarHBondContact O-N 2.94Å; L1090-N1097 PolarHBondContact O-OD1 3.43Å
1091F84.3Confident77.9Confident30 Ų3067.4 Ų67.413%0.13236%0.36CS..THydrogen-bonded Turntrans-121.44.1-174.9-52.7-66.7000112.8I614 A616 I618 F642 Y718 L1087 L1088 N1089 P1093I614-F1091 HydrophobicContact CD1-CB 3.84Å; I614-F1091 HydrophobicContact CD1-CD1 4.09Å; I614-F1091 HydrophobicContact CD1-CG 4.17Å; I614-F1091 HydrophobicContact CG1-CB 4.06Å; I614-F1091 HydrophobicContact CG1-CD1 4.4Å; I614-F1091 HydrophobicContact CG1-CG 4.2Å; I614-F1091 HydrophobicContact CG2-CD1 3.74Å; I614-F1091 HydrophobicContact CG2-CD2 4.46Å; I614-F1091 HydrophobicContact CG2-CE1 3.78Å; I614-F1091 HydrophobicContact CG2-CG 4.09Å; I614-F1091 HydrophobicContact CG2-CZ 4.18Å; A616-F1091 HydrophobicContact CB-CE1 3.96Å; A616-F1091 HydrophobicContact CB-CZ 4.04Å; I618-F1091 HydrophobicContact CD1-CE2 3.88Å; I618-F1091 HydrophobicContact CD1-CZ 4.14Å; F642-F1091 AromaticContact CE1-CD2 3.79Å; F642-F1091 HydrophobicContact CE1-CD2 3.79Å; F642-F1091 AromaticContact CE1-CE2 3.83Å; F642-F1091 HydrophobicContact CE1-CE2 3.83Å; F642-F1091 HydrophobicContact CZ-CD2 4.08Å; F642-F1091 HydrophobicContact CZ-CE2 4.4Å; Y718-F1091 AromaticContact CD2-CZ 3.92Å; Y718-F1091 HydrophobicContact CD2-CZ 3.92Å; Y718-F1091 AromaticContact CE2-CE1 3.88Å; Y718-F1091 HydrophobicContact CE2-CE1 3.88Å; Y718-F1091 AromaticContact CE2-CZ 3.51Å; Y718-F1091 HydrophobicContact CE2-CZ 3.51Å; L1087-F1091 WeakPolarHBondContact O-CD2 3.4Å; L1087-F1091 WeakPolarHBondContact O-CE2 3.48Å; L1088-F1091 CarbonylContact O-C 3.59Å; L1088-F1091 PolarHBondContact O-N 2.84Å; N1089-F1091 PolarHBondContact O-N 2.83Å; F1091-P1093 WeakPolarHBondContact O-CD 3.39Å
1092D78.8Confident76.3Confident33 Ų3369.9 Ų69.918%0.17638%0.379CS..  trans-72.4119.3176.8-170-27.1000109.7L1088 N1094 I1095L1088-D1092 PolarHBondContact O-N 3.46Å; L1088-D1092 VanDerWaalsContact O-N 3.13Å; D1092-N1094 PolarHBondContact O-N 2.84Å; D1092-N1094 WeakPolarHBondContact OD1-CB 3.48Å; D1092-N1094 PolarHBondContact OD1-N 2.94Å; D1092-N1094 PolarHBondContact OD1-ND2 2.85Å; D1092-I1095 HydrophobicContact CB-CB 4.22Å; D1092-I1095 HydrophobicContact CB-CD1 3.78Å; D1092-I1095 HydrophobicContact CB-CG1 3.88Å; D1092-I1095 PolarHBondContact O-N 2.98Å
1093P67.1Low74.7Confident70 Ų7073.4 Ų73.446%0.45540%0.399SS..THydrogen-bonded Turntrans-65.8-17.6179.528.2-36.3000114.1E612 F1091E612-P1093 HydrophobicContact CG-CG 4.42Å; F1091-P1093 WeakPolarHBondContact O-CD 3.39Å
1094N67.1Low73.3Confident145 Ų14575.1 Ų75.178%0.77541%0.408SS*.THydrogen-bonded Turntrans-89.6-8.3-179.1-52-62.4000113D1092D1092-N1094 PolarHBondContact O-N 2.84Å; D1092-N1094 WeakPolarHBondContact OD1-CB 3.48Å; D1092-N1094 PolarHBondContact OD1-N 2.94Å; D1092-N1094 PolarHBondContact OD1-ND2 2.85Å
1095I68Low71.9Confident72 Ų7281.2 Ų81.237%0.36944%0.441SS..SBendtrans-104.9126.9179-57.1178.8000107.5N1089 D1092 N1097N1089-I1095 HydrophobicContact CB-CD1 4.21Å; D1092-I1095 HydrophobicContact CB-CB 4.22Å; D1092-I1095 HydrophobicContact CB-CD1 3.78Å; D1092-I1095 HydrophobicContact CB-CG1 3.88Å; D1092-I1095 PolarHBondContact O-N 2.98Å; I1095-N1097 PolarHBondContact O-N 3.24Å
1096E58.3Low70.9Confident179 Ų17981.5 Ų81.584%0.83645%0.448SS*.  trans-63122.6170.7-76.4-170.9170.800109.3V1098E1096-V1098 PolarHBondContact O-N 3.41Å
1097N59.1Low70Confident114 Ų11482.9 Ų82.961%0.6145%0.453SS*.  trans-60101.4176.7-76.4-22.7000110.3L1090 I1095 K1099L1090-N1097 PolarHBondContact O-OD1 3.43Å; I1095-N1097 PolarHBondContact O-N 3.24Å; N1097-K1099 PolarHBondContact O-N 3.23Å
1098V54.6Low69.3Low110 Ų11088.3 Ų88.367%0.66748%0.481SS*.  trans-68116.3176-163.90000108.1E1096 A1100E1096-V1098 PolarHBondContact O-N 3.41Å; V1098-A1100 WeakPolarHBondContact CG1-O 3.38Å; V1098-A1100 PolarHBondContact O-N 2.81Å; V1098-A1100 VanDerWaalsContact O-N 3.14Å
1099K52.7Low68.8Low220 Ų22090.2 Ų90.296%0.95749%0.491SS*.SBendtrans-64.1-17.6-175.2-67.7-178.5-179.6175.50114.1N1097N1097-K1099 PolarHBondContact O-N 3.23Å
1100A57.3Low68.5Low61 Ų6188.3 Ų88.350%0.50448%0.482SS..SBendtrans-136.1148.8176.400000109.3V1098V1098-A1100 WeakPolarHBondContact CG1-O 3.38Å; V1098-A1100 PolarHBondContact O-N 2.81Å; V1098-A1100 VanDerWaalsContact O-N 3.14Å
1101P61.1Low68.3Low50 Ų5091.5 Ų91.533%0.32550%0.504SS..PPolyproline II helixtrans-53.5136.8171.9-20.430.5000110V1103P1101-V1103 PolarHBondContact O-N 3.07Å
1102P63.8Low68.6Low84 Ų8491.1 Ų91.155%0.54550%0.502SS..PPolyproline II helixtrans-59.3137.8174.324.2-31.6000109.7D1104P1102-D1104 PolarHBondContact O-N 3.26Å
1103V63.4Low69Low117 Ų11796.7 Ų96.771%0.70953%0.525SS*.PPolyproline II helixtrans-70.8118.2173.6-175.40000107.5P1101 D1105P1101-V1103 PolarHBondContact O-N 3.07Å; V1103-D1105 WeakPolarHBondContact CG1-OD1 3.36Å; V1103-D1105 PolarHBondContact O-N 3.41Å; V1103-D1105 VanDerWaalsContact O-N 3.12Å
1104D66.9Low70.2Confident37 Ų3796.7 Ų96.720%0.19852%0.519CS..  trans-79.888.3174.2-179.69.2000109.5S1042 Y1064 P1102 S1106 F1107S1042-D1104 WeakPolarHBondContact CB-OD2 3.3Å; S1042-D1104 PolarHBondContact OG-OD2 2.87Å; Y1064-D1104 PolarHBondContact OH-OD2 2.86Å; P1102-D1104 PolarHBondContact O-N 3.26Å; D1104-S1106 PolarHBondContact O-N 3.39Å; D1104-S1106 WeakPolarHBondContact OD1-CB 3.31Å; D1104-S1106 PolarHBondContact OD1-N 3.02Å; D1104-S1106 VanDerWaalsContact OD1-N 3.12Å; D1104-S1106 PolarHBondContact OD1-OG 2.85Å; D1104-F1107 WeakPolarHBondContact O-CE1 3.44Å; D1104-F1107 PolarHBondContact OD1-N 3.01Å
1105D66.3Low71.5Confident128 Ų12890.1 Ų90.168%0.68448%0.484SS*.THydrogen-bonded Turntrans-74.3-11175.5-68.7-30.8000112.7V1103 F1107V1103-D1105 WeakPolarHBondContact CG1-OD1 3.36Å; V1103-D1105 PolarHBondContact O-N 3.41Å; V1103-D1105 VanDerWaalsContact O-N 3.12Å; D1105-F1107 WeakPolarHBondContact O-CD2 3.38Å
1106S70.7Confident72.7Confident70 Ų7089.8 Ų89.849%0.4948%0.48SS..THydrogen-bonded Turntrans-76.6-29.4-177.179.60000111.9D1104 I1108D1104-S1106 PolarHBondContact O-N 3.39Å; D1104-S1106 WeakPolarHBondContact OD1-CB 3.31Å; D1104-S1106 PolarHBondContact OD1-N 3.02Å; D1104-S1106 VanDerWaalsContact OD1-N 3.12Å; D1104-S1106 PolarHBondContact OD1-OG 2.85Å; S1106-I1108 WeakPolarHBondContact O-CG1 3.3Å; S1106-I1108 PolarHBondContact O-N 3.33Å; S1106-I1108 PolarHBondContact OG-N 3.12Å
1107F73.3Confident74.5Confident93 Ų9381.8 Ų81.841%0.40844%0.443SS..  trans48.429.2-173.7-55.8-67.4000113.2I1063 Y1064 D1104 D1105I1063-F1107 HydrophobicContact CB-CD1 4.46Å; I1063-F1107 HydrophobicContact CB-CE1 4.41Å; I1063-F1107 HydrophobicContact CD1-CD1 4.12Å; I1063-F1107 HydrophobicContact CD1-CE1 3.35Å; I1063-F1107 HydrophobicContact CD1-CZ 3.66Å; I1063-F1107 HydrophobicContact CG1-CD1 3.84Å; I1063-F1107 HydrophobicContact CG1-CE1 3.62Å; I1063-F1107 HydrophobicContact CG1-CZ 4.21Å; I1063-F1107 HydrophobicContact CG2-CD1 3.87Å; I1063-F1107 HydrophobicContact CG2-CE1 3.92Å; Y1064-F1107 HydrophobicContact CD1-CB 4.44Å; D1104-F1107 WeakPolarHBondContact O-CE1 3.44Å; D1104-F1107 PolarHBondContact OD1-N 3.01Å; D1105-F1107 WeakPolarHBondContact O-CD2 3.38Å
1108I77.9Confident76.2Confident114 Ų11477.8 Ų77.859%0.58542%0.423SS*.PPolyproline II helixtrans-81.3131.3-179.9-60.9172.7000108.6S1106S1106-I1108 WeakPolarHBondContact O-CG1 3.3Å; S1106-I1108 PolarHBondContact O-N 3.33Å; S1106-I1108 PolarHBondContact OG-N 3.12Å
1109L80.8Confident78.3Confident48 Ų4872.6 Ų72.625%0.25139%0.392SS..PPolyproline II helixtrans-62.6135.3173.3-69.6174.9000110.2L1060 Y1064 N1066 W1069 T1111L1060-L1109 HydrophobicContact CD1-CD2 3.86Å; Y1064-L1109 HydrophobicContact CD1-CD2 4.38Å; Y1064-L1109 HydrophobicContact CG-CD2 4.41Å; N1066-L1109 HydrophobicContact CB-CD1 4.36Å; W1069-L1109 HydrophobicContact CB-CD1 4.44Å; W1069-L1109 HydrophobicContact CB-CD2 4.21Å; W1069-L1109 HydrophobicContact CD2-CD1 3.97Å; W1069-L1109 HydrophobicContact CE3-CD1 4.33Å; W1069-L1109 HydrophobicContact CG-CD1 4.02Å; W1069-L1109 HydrophobicContact CG-CD2 3.94Å; W1069-L1109 HydrophobicContact CG-CG 4.45Å; L1109-T1111 PolarHBondContact O-N 2.77Å
1110P81.5Confident80.4Confident30 Ų3062.5 Ų62.520%0.19535%0.35CS..PPolyproline II helixtrans-57.8133.3173.9-23.332.8000111.4L1060 W1069 F1112L1060-P1110 HydrophobicContact CD1-CG 4.19Å; W1069-P1110 PolarHBondContact NE1-O 3.23Å; P1110-F1112 HydrophobicContact CB-CE2 4.15Å; P1110-F1112 HydrophobicContact CB-CZ 4.03Å
1111T82.2Confident82.3Confident117 Ų11761.1 Ų61.172%0.71833%0.334SS*.PPolyproline II helixtrans-100.1122.6176.1-540000110.1L1109L1109-T1111 PolarHBondContact O-N 2.77Å
1112F88.9Confident84Confident21 Ų2158.8 Ų58.89%0.09232%0.318CS..PPolyproline II helixtrans-101.3138.5175.4-61.4-69.6000110.1H1071 A1074 E1078 I1079 P1110 P1134H1071-F1112 AromaticContact CD2-CZ 3.62Å; H1071-F1112 AromaticContact NE2-CZ 3.75Å; A1074-F1112 HydrophobicContact CB-CB 3.98Å; A1074-F1112 HydrophobicContact CB-CD1 4.4Å; A1074-F1112 HydrophobicContact CB-CD2 3.47Å; A1074-F1112 VanDerWaalsContact CB-CD2 3.47Å; A1074-F1112 HydrophobicContact CB-CE2 4.04Å; A1074-F1112 HydrophobicContact CB-CG 3.68Å; E1078-F1112 HydrophobicContact CG-CD1 4.36Å; E1078-F1112 WeakPolarHBondContact OE2-CB 3.41Å; I1079-F1112 HydrophobicContact CG1-CD1 4.19Å; I1079-F1112 HydrophobicContact CG1-CE1 3.72Å; I1079-F1112 HydrophobicContact CG1-CZ 4.02Å; P1110-F1112 HydrophobicContact CB-CE2 4.15Å; P1110-F1112 HydrophobicContact CB-CZ 4.03Å; F1112-P1134 HydrophobicContact CB-CB 4.34Å; F1112-P1134 HydrophobicContact CB-CG 4.01Å
1113K87.1Confident85.5Confident151 Ų15154.8 Ų54.866%0.65729%0.292SS*.  trans-107.1-18-170.6-65.7177.9-176.1167.30113.5E1078 F1195E1078-K1113 VanDerWaalsContact CD-N 3.35Å; E1078-K1113 PolarHBondContact OE1-N 3.08Å; E1078-K1113 PolarHBondContact OE2-N 3.38Å; K1113-F1195 WeakPolarHBondContact O-CE1 3.47Å
1114Q93Very high86.7Confident69 Ų6950.5 Ų50.532%0.32227%0.272SS..SBendtrans-88.8149.9179.6-61.9-172.5-2.500111N1075 E1078 P1134N1075-Q1114 HydrophobicContact CB-CB 3.86Å; E1078-Q1114 HydrophobicContact CB-CB 4.2Å; E1078-Q1114 HydrophobicContact CB-CG 4.13Å; E1078-Q1114 HydrophobicContact CG-CG 4.21Å; E1078-Q1114 WeakPolarHBondContact OE2-CB 3.44Å; E1078-Q1114 PolarHBondContact OE2-N 3.35Å; Q1114-P1134 WeakPolarHBondContact O-CD 3.25Å; Q1114-P1134 VanDerWaalsContact O-CG 3.3Å; Q1114-P1134 WeakPolarHBondContact O-CG 3.43Å
1115S94.3Very high88Confident7 Ų752.2 Ų52.25%0.04928%0.281CS..  trans-66.6142.8175.749.30000111.1N1075 T1117 T1132 F1195N1075-S1115 WeakPolarHBondContact CB-O 3.36Å; N1075-S1115 PolarHBondContact ND2-O 2.94Å; S1115-T1117 PolarHBondContact O-N 3.36Å; S1115-T1117 PolarHBondContact OG-OG1 2.93Å; S1115-T1132 CarbonylContact C-O 3.46Å; S1115-T1132 VanDerWaalsContact CA-O 3.29Å; S1115-T1132 WeakPolarHBondContact CA-O 3.45Å; S1115-F1195 VanDerWaalsContact N-CE1 3.32Å
1116K94.4Very high89.4Confident66 Ų6646.1 Ų46.129%0.28725%0.248SC..EExtended strand (participates in β ladder)trans-74115.8156.3-177.9170.3176.2178.50107.2E1072 I1073 T1132E1072-K1116 WeakPolarHBondContact O-CE 3.06Å; E1072-K1116 PolarHBondContact O-NZ 3.11Å; I1073-K1116 WeakPolarHBondContact O-CD 3.32Å; K1116-T1132 HydrophobicContact CB-CG2 4.08Å; K1116-T1132 PolarHBondContact N-O 2.62Å; K1116-T1132 PolarHBondContact O-N 3.37Å
1117T95.8Very high90.6Very high10 Ų1045.3 Ų45.36%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-113.4136.3-174.9-64.70000110.2Y673 S1115 L1129 H1130 I1192Y673-T1117 HydrophobicContact CD2-CG2 3.85Å; Y673-T1117 HydrophobicContact CE2-CG2 4.48Å; S1115-T1117 PolarHBondContact O-N 3.36Å; S1115-T1117 PolarHBondContact OG-OG1 2.93Å; T1117-L1129 HydrophobicContact CG2-CD1 3.78Å; T1117-H1130 CarbonylContact C-O 3.59Å; T1117-H1130 VanDerWaalsContact CA-O 3.3Å; T1117-H1130 WeakPolarHBondContact CA-O 3.23Å; T1117-I1192 HydrophobicContact CG2-CD1 3.72Å; T1117-I1192 HydrophobicContact CG2-CG1 3.97Å
1118V95.2Very high91.8Very high31 Ų3141 Ų4119%0.18822%0.218CC..EExtended strand (participates in β ladder)trans-131.9126.7170.4-176.40000108.9T671 I917 L1129 H1130T671-V1118 CarbonylContact O-C 3.53Å; I917-V1118 HydrophobicContact CD1-CB 4.31Å; I917-V1118 HydrophobicContact CD1-CG1 3.6Å; I917-V1118 HydrophobicContact CG2-CG1 4.35Å; V1118-L1129 CarbonylContact O-C 3.6Å; V1118-H1130 PolarHBondContact N-O 3.23Å; V1118-H1130 PolarHBondContact O-N 3.04Å
1119G96.8Very high92.7Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-113.4149.2167.700000111S670 T671 Y673 Y1128S670-G1119 CarbonylContact C-O 3.55Å; S670-G1119 WeakPolarHBondContact CA-O 3.29Å; S670-G1119 WeakPolarHBondContact CB-O 3.37Å; T671-G1119 PolarHBondContact N-O 2.88Å; T671-G1119 PolarHBondContact O-N 3.05Å; Y673-G1119 VanDerWaalsContact CE2-CA 3.48Å; G1119-Y1128 VanDerWaalsContact CA-O 3.29Å; G1119-Y1128 WeakPolarHBondContact CA-O 3.16Å
1120A96.9Very high93.5Very high9 Ų934.4 Ų34.47%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-155.2151.1176.900000111.2I917 T921 L1122 Y1128I917-A1120 HydrophobicContact CG2-CB 3.67Å; T921-A1120 HydrophobicContact CG2-CB 3.59Å; A1120-L1122 HydrophobicContact CB-CD2 3.74Å; A1120-L1122 HydrophobicContact CB-CG 4.21Å; A1120-Y1128 HydrophobicContact CB-CD1 4.29Å; A1120-Y1128 PolarHBondContact N-O 3.2Å; A1120-Y1128 PolarHBondContact O-N 2.99Å
1121L97.4Very high94.2Very high32 Ų3233 Ų3317%0.16817%0.174CC..EExtended strand (participates in β ladder)trans-97.1116.2159.2-168.570.4000107.6K667 T924 N1125 F1127K667-L1121 HydrophobicContact CD-CD2 4.02Å; K667-L1121 HydrophobicContact CG-CD2 4.12Å; T924-L1121 WeakPolarHBondContact CB-O 3.06Å; T924-L1121 HydrophobicContact CG2-CB 4.31Å; T924-L1121 HydrophobicContact CG2-CD2 3.91Å; T924-L1121 HydrophobicContact CG2-CG 3.87Å; T924-L1121 PolarHBondContact OG1-O 2.86Å; L1121-N1125 HydrophobicContact CD1-CB 4.25Å; L1121-F1127 HydrophobicContact CD1-CD1 3.92Å; L1121-F1127 HydrophobicContact CD1-CD2 4.42Å; L1121-F1127 HydrophobicContact CD1-CE1 3.84Å; L1121-F1127 HydrophobicContact CD1-CE2 4.34Å; L1121-F1127 HydrophobicContact CD1-CG 4.22Å; L1121-F1127 HydrophobicContact CD1-CZ 4.05Å
1122L96.9Very high94.7Very high0 Ų028.4 Ų28.40%015%0.146CC..EExtended strand (participates in β ladder)trans-101166.1-173.7-58.3178.7000111.6I917 T924 F951 I960 A1120 G1124 N1125 L1126 Y1128 L1181I917-L1122 HydrophobicContact CG2-CD2 4.43Å; T924-L1122 WeakPolarHBondContact OG1-CA 3.35Å; T924-L1122 PolarHBondContact OG1-O 3.22Å; F951-L1122 HydrophobicContact CE1-CD1 3.74Å; F951-L1122 HydrophobicContact CE1-CD2 4.25Å; F951-L1122 HydrophobicContact CZ-CD1 4.05Å; F951-L1122 HydrophobicContact CZ-CD2 4.23Å; I960-L1122 HydrophobicContact CD1-CD1 3.58Å; I960-L1122 HydrophobicContact CG1-CD1 4.27Å; A1120-L1122 HydrophobicContact CB-CD2 3.74Å; A1120-L1122 HydrophobicContact CB-CG 4.21Å; L1122-G1124 PolarHBondContact O-N 2.93Å; L1122-N1125 WeakPolarHBondContact O-CA 3.13Å; L1122-N1125 PolarHBondContact O-N 3.34Å; L1122-L1126 HydrophobicContact CB-CB 4.21Å; L1122-L1126 PolarHBondContact N-O 3.15Å; L1122-L1126 PolarHBondContact O-N 2.88Å; L1122-L1126 VanDerWaalsContact O-N 3.08Å; L1122-Y1128 HydrophobicContact CD1-CD1 4.48Å; L1122-Y1128 HydrophobicContact CD1-CD2 4.23Å; L1122-Y1128 HydrophobicContact CD1-CG 3.85Å; L1122-L1181 HydrophobicContact CD1-CD1 3.97Å
1123P95.3Very high94.8Very high0 Ų030.8 Ų30.80%016%0.157CC..THydrogen-bonded Turntrans-55.2132.1-173.2-30.137.2000112Y920 I923 T924 L927 H963 M964 L967Y920-P1123 WeakPolarHBondContact O-CD 3.41Å; I923-P1123 HydrophobicContact CB-CG 4.09Å; I923-P1123 HydrophobicContact CG2-CB 4.18Å; I923-P1123 HydrophobicContact CG2-CG 3.8Å; T924-P1123 WeakPolarHBondContact OG1-CA 3.43Å; T924-P1123 VanDerWaalsContact OG1-CD 3.32Å; T924-P1123 WeakPolarHBondContact OG1-CD 3.49Å; L927-P1123 HydrophobicContact CD1-CB 4.32Å; H963-P1123 PolarHBondContact CD2-O 2.98Å; M964-P1123 HydrophobicContact CG-CB 3.71Å; M964-P1123 HydrophobicContact CG-CG 4.01Å; M964-P1123 HydrophobicContact SD-CB 4.42Å; M964-P1123 HydrophobicContact SD-CG 4.06Å; L967-P1123 HydrophobicContact CD1-CB 4.43Å
1124G89.8Confident94.9Very high28 Ų2824 Ų2429%0.28913%0.128SC..THydrogen-bonded Turntrans90.610.5-169.600000114.4H963 L1122 L1126H963-G1124 WeakPolarHBondContact NE2-CA 3.4Å; L1122-G1124 PolarHBondContact O-N 2.93Å; G1124-L1126 VanDerWaalsContact C-N 3.31Å
1125N93.7Very high94.3Very high72 Ų7222.9 Ų22.939%0.38513%0.128SC..THydrogen-bonded Turntrans60.139.7-174.7-57.9-37.5000112.7N928 L1121 L1122N928-N1125 PolarHBondContact ND2-OD1 3.35Å; N928-N1125 PolarHBondContact OD1-OD1 3.2Å; L1121-N1125 HydrophobicContact CD1-CB 4.25Å; L1122-N1125 WeakPolarHBondContact O-CA 3.13Å; L1122-N1125 PolarHBondContact O-N 3.34Å
1126L95.7Very high93.5Very high0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-82.5122.2174.8-61.6172.3000109.5L1122 G1124 I1162 L1181 S1182 T1183L1122-L1126 HydrophobicContact CB-CB 4.21Å; L1122-L1126 PolarHBondContact N-O 3.15Å; L1122-L1126 PolarHBondContact O-N 2.88Å; L1122-L1126 VanDerWaalsContact O-N 3.08Å; G1124-L1126 VanDerWaalsContact C-N 3.31Å; L1126-I1162 HydrophobicContact CD1-CD1 4.01Å; L1126-I1162 HydrophobicContact CD2-CB 4.39Å; L1126-I1162 HydrophobicContact CD2-CD1 3.96Å; L1126-L1181 HydrophobicContact CB-CD1 3.97Å; L1126-S1182 CarbonylContact C-O 3.44Å; L1126-S1182 WeakPolarHBondContact CA-O 3.44Å; L1126-T1183 HydrophobicContact CD2-CG2 3.53Å
1127F96.9Very high92.1Very high54 Ų5425.8 Ų25.824%0.23715%0.151CC..EExtended strand (participates in β ladder)trans-77.5126.4175.8-63.3-89.4000109.8L1121 L1181 S1182 E1185 F1186L1121-F1127 HydrophobicContact CD1-CD1 3.92Å; L1121-F1127 HydrophobicContact CD1-CD2 4.42Å; L1121-F1127 HydrophobicContact CD1-CE1 3.84Å; L1121-F1127 HydrophobicContact CD1-CE2 4.34Å; L1121-F1127 HydrophobicContact CD1-CG 4.22Å; L1121-F1127 HydrophobicContact CD1-CZ 4.05Å; F1127-L1181 CarbonylContact O-C 3.54Å; F1127-L1181 VanDerWaalsContact O-CA 3.31Å; F1127-L1181 WeakPolarHBondContact O-CA 3Å; F1127-S1182 PolarHBondContact N-O 3.45Å; F1127-S1182 PolarHBondContact O-N 3.25Å; F1127-E1185 HydrophobicContact CD1-CB 4.11Å; F1127-E1185 HydrophobicContact CD1-CG 3.94Å; F1127-E1185 HydrophobicContact CD2-CB 4.21Å; F1127-E1185 HydrophobicContact CE1-CB 3.71Å; F1127-E1185 HydrophobicContact CE1-CG 3.62Å; F1127-E1185 HydrophobicContact CE2-CB 3.84Å; F1127-E1185 HydrophobicContact CG-CB 4.34Å; F1127-E1185 HydrophobicContact CZ-CB 3.57Å; F1127-E1185 HydrophobicContact CZ-CG 4.02Å; F1127-F1186 HydrophobicContact CB-CD1 4.14Å; F1127-F1186 HydrophobicContact CB-CE1 3.61Å; F1127-F1186 HydrophobicContact CB-CZ 4.16Å; F1127-F1186 WeakPolarHBondContact O-CE1 3.3Å
1128Y97.6Very high90.6Very high3 Ų330 Ų301%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-123.8137.9-179.6177.9-106.3000111.2I917 F951 I956 G1119 A1120 L1122 H1130 T1179 C1180 L1181I917-Y1128 HydrophobicContact CD1-CE1 4.16Å; F951-Y1128 HydrophobicContact CD1-CE1 4.34Å; F951-Y1128 HydrophobicContact CD1-CE2 4.13Å; F951-Y1128 AromaticContact CD1-CZ 3.89Å; F951-Y1128 HydrophobicContact CE1-CE1 4.48Å; I956-Y1128 HydrophobicContact CD1-CE2 4.24Å; I956-Y1128 HydrophobicContact CG2-CE2 4.32Å; G1119-Y1128 VanDerWaalsContact CA-O 3.29Å; G1119-Y1128 WeakPolarHBondContact CA-O 3.16Å; A1120-Y1128 HydrophobicContact CB-CD1 4.29Å; A1120-Y1128 PolarHBondContact N-O 3.2Å; A1120-Y1128 PolarHBondContact O-N 2.99Å; L1122-Y1128 HydrophobicContact CD1-CD1 4.48Å; L1122-Y1128 HydrophobicContact CD1-CD2 4.23Å; L1122-Y1128 HydrophobicContact CD1-CG 3.85Å; Y1128-H1130 HydrophobicContact CE1-CB 3.78Å; Y1128-H1130 HydrophobicContact CE2-CB 4.45Å; Y1128-H1130 VanDerWaalsContact OH-CB 3.29Å; Y1128-H1130 WeakPolarHBondContact OH-CB 3.46Å; Y1128-T1179 HydrophobicContact CE2-CG2 3.81Å; Y1128-C1180 WeakPolarHBondContact CA-O 3.25Å; Y1128-C1180 WeakPolarHBondContact CD2-O 3.18Å; Y1128-L1181 HydrophobicContact CD2-CD1 4.25Å
1129L97.6Very high89Confident0 Ų031.3 Ų31.30%018%0.18CC..EExtended strand (participates in β ladder)trans-137.6134.6170.6172.369.2000109Y673 T1117 V1118 T1179 C1180 F1186 A1188 Y1191 I1192Y673-L1129 HydrophobicContact CD2-CD1 4.33Å; Y673-L1129 HydrophobicContact CE2-CD1 3.77Å; T1117-L1129 HydrophobicContact CG2-CD1 3.78Å; V1118-L1129 CarbonylContact O-C 3.6Å; L1129-T1179 CarbonylContact O-C 3.58Å; L1129-T1179 WeakPolarHBondContact O-CA 3.46Å; L1129-C1180 HydrophobicContact CB-CB 4.18Å; L1129-C1180 PolarHBondContact N-O 2.86Å; L1129-C1180 PolarHBondContact O-N 3.47Å; L1129-F1186 HydrophobicContact CB-CE2 3.61Å; L1129-F1186 HydrophobicContact CB-CZ 3.8Å; L1129-F1186 HydrophobicContact CD2-CE2 4.12Å; L1129-A1188 HydrophobicContact CD1-CB 4.33Å; L1129-A1188 HydrophobicContact CD2-CB 4.06Å; L1129-Y1191 HydrophobicContact CD2-CD2 4.39Å; L1129-I1192 HydrophobicContact CD1-CD1 4.24Å; L1129-I1192 HydrophobicContact CD1-CG1 4.09Å; L1129-I1192 HydrophobicContact CD2-CG1 4.48Å
1130H96.3Very high87.4Confident23 Ų2332.3 Ų32.311%0.10619%0.185CC..EExtended strand (participates in β ladder)trans-137.1120.4171-175.753.1000110.4N952 T1117 V1118 Y1128 I1178 T1179N952-H1130 PolarHBondContact ND2-CE1 2.81Å; T1117-H1130 CarbonylContact C-O 3.59Å; T1117-H1130 VanDerWaalsContact CA-O 3.3Å; T1117-H1130 WeakPolarHBondContact CA-O 3.23Å; V1118-H1130 PolarHBondContact N-O 3.23Å; V1118-H1130 PolarHBondContact O-N 3.04Å; Y1128-H1130 HydrophobicContact CE1-CB 3.78Å; Y1128-H1130 HydrophobicContact CE2-CB 4.45Å; Y1128-H1130 VanDerWaalsContact OH-CB 3.29Å; Y1128-H1130 WeakPolarHBondContact OH-CB 3.46Å; H1130-I1178 CarbonylContact C-O 3.57Å; H1130-I1178 WeakPolarHBondContact CA-O 3.4Å; H1130-I1178 PolarHBondContact ND1-O 3Å; H1130-T1179 HydrophobicContact CB-CG2 4.49Å; H1130-T1179 PolarHBondContact ND1-OG1 3.02Å
1131C95.6Very high85.7Confident0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-114.9125.8173.4-58.80000107.5D1177 I1178 I1192C1131-D1177 CarbonylContact O-C 3.54Å; C1131-D1177 WeakPolarHBondContact O-CA 3.46Å; C1131-I1178 HydrophobicContact CB-CB 4.18Å; C1131-I1178 PolarHBondContact N-O 3.13Å; C1131-I1178 PolarHBondContact O-N 3.34Å; C1131-I1192 VanDerWaalsContact SG-CG1 3.59Å
1132T93.1Very high84Confident21 Ų2140.2 Ų40.213%0.12923%0.225CC..EExtended strand (participates in β ladder)trans-135.2152.3179.5-171.90000111.9S1115 K1116 D1177S1115-T1132 CarbonylContact C-O 3.46Å; S1115-T1132 VanDerWaalsContact CA-O 3.29Å; S1115-T1132 WeakPolarHBondContact CA-O 3.45Å; K1116-T1132 HydrophobicContact CB-CG2 4.08Å; K1116-T1132 PolarHBondContact N-O 2.62Å; K1116-T1132 PolarHBondContact O-N 3.37Å; T1132-D1177 VanDerWaalsContact CA-OD1 3.25Å; T1132-D1177 WeakPolarHBondContact CA-OD1 3.09Å; T1132-D1177 VanDerWaalsContact CB-OD1 3.3Å; T1132-D1177 WeakPolarHBondContact CB-OD1 3.25Å; T1132-D1177 PolarHBondContact OG1-OD1 2.93Å
1133Q91.3Very high82.5Confident70 Ų7042.1 Ų42.133%0.32723%0.232SC..  trans-66.9139.6172.9-173.8175.3-63.900110.5S1135 Q1176 D1177 F1195Q1133-S1135 PolarHBondContact O-N 3.03Å; Q1133-S1135 PolarHBondContact O-OG 3.29Å; Q1133-Q1176 HydrophobicContact CB-CB 4.35Å; Q1133-Q1176 PolarHBondContact N-O 2.74Å; Q1133-Q1176 VanDerWaalsContact N-O 3.11Å; Q1133-D1177 PolarHBondContact N-OD1 3.47Å; Q1133-F1195 HydrophobicContact CB-CE2 4.17Å; Q1133-F1195 HydrophobicContact CB-CZ 4.07Å; Q1133-F1195 HydrophobicContact CG-CZ 4.4Å
1134P88.6Confident81.1Confident9 Ų945.1 Ų45.16%0.05825%0.25CS..SBendtrans-55108.7170.2-25.235.2000111.2A1074 F1112 Q1114A1074-P1134 HydrophobicContact CB-CB 4.13Å; A1074-P1134 HydrophobicContact CB-CG 4.27Å; F1112-P1134 HydrophobicContact CB-CB 4.34Å; F1112-P1134 HydrophobicContact CB-CG 4.01Å; Q1114-P1134 WeakPolarHBondContact O-CD 3.25Å; Q1114-P1134 VanDerWaalsContact O-CG 3.3Å; Q1114-P1134 WeakPolarHBondContact O-CG 3.43Å
1135S81.3Confident80Confident45 Ų4550.6 Ų50.632%0.31527%0.273SS..  trans-151.6163.8-178.367.40000111Q1133Q1133-S1135 PolarHBondContact O-N 3.03Å; Q1133-S1135 PolarHBondContact O-OG 3.29Å
1136L77.2Confident79Confident65 Ų6551.3 Ų51.334%0.3428%0.277SS..  trans-70.6141.3169.4-66176.1000109W1069 E1138W1069-L1136 HydrophobicContact CE3-CG 4.39Å; L1136-E1138 PolarHBondContact O-N 3.02Å
1137C65Low77.6Confident70 Ų7057.1 Ų57.147%0.47332%0.318SS..  trans-65110.2-173.7-1740000111.5P948P948-C1137 HydrophobicContact CB-CB 4.5Å
1138E65.2Low76.4Confident99 Ų9959.7 Ų59.746%0.46333%0.33SS..  trans-121.2136168.9-68.7177.6-177.800109.1L1136 R1143L1136-E1138 PolarHBondContact O-N 3.02Å; E1138-R1143 HydrophobicContact CB-CG 4.05Å; E1138-R1143 PolarHBondContact O-NE 3.15Å; E1138-R1143 PolarHBondContact O-NH2 2.81Å
1139S62Low75.5Confident58 Ų5860.7 Ų60.741%0.40634%0.335SS..  trans-63.1145.3176.970.10000110.4N1141 I1142 R1143S1139-N1141 PolarHBondContact O-N 2.94Å; S1139-I1142 PolarHBondContact O-N 3.26Å; S1139-I1142 WeakPolarHBondContact OG-CD1 3.26Å; S1139-I1142 WeakPolarHBondContact OG-CG1 3.43Å; S1139-I1142 PolarHBondContact OG-N 3.31Å; S1139-R1143 PolarHBondContact O-N 3.22Å; S1139-R1143 VanDerWaalsContact O-N 3.08Å
1140M62.5Low74.9Confident20 Ų2062.4 Ų62.410%0.09935%0.353CS..Hα-helixtrans-57.7-34.9180-172.2172.1-82.900111.3I1142 R1143 T1144 L1152M1140-I1142 PolarHBondContact O-N 2.99Å; M1140-R1143 PolarHBondContact O-N 3.21Å; M1140-T1144 PolarHBondContact O-N 3.36Å; M1140-T1144 PolarHBondContact O-OG1 3.17Å; M1140-L1152 HydrophobicContact CE-CD1 4.34Å; M1140-L1152 HydrophobicContact SD-CD1 4.37Å; M1140-L1152 HydrophobicContact SD-CD2 3.82Å
1141N60.7Low74.7Confident105 Ų10564.7 Ų64.756%0.56136%0.36SS*.Hα-helixtrans-59.6-42.1175-67-17000113S1139 T1144 N1145S1139-N1141 PolarHBondContact O-N 2.94Å; N1141-T1144 VanDerWaalsContact C-OG1 3.25Å; N1141-T1144 VanDerWaalsContact CA-OG1 3.24Å; N1141-T1144 WeakPolarHBondContact CA-OG1 3.24Å; N1141-T1144 PolarHBondContact O-OG1 3Å; N1141-N1145 PolarHBondContact O-N 3.22Å; N1141-N1145 PolarHBondContact O-ND2 3.33Å
1142I62.4Low74.5Confident103 Ų10367.4 Ų67.453%0.52837%0.374SS..Hα-helixtrans-66.8-44.3175.9-68.8166000109.6S1139 M1140 T1144 N1145S1139-I1142 PolarHBondContact O-N 3.26Å; S1139-I1142 WeakPolarHBondContact OG-CD1 3.26Å; S1139-I1142 WeakPolarHBondContact OG-CG1 3.43Å; S1139-I1142 PolarHBondContact OG-N 3.31Å; M1140-I1142 PolarHBondContact O-N 2.99Å; I1142-T1144 PolarHBondContact O-N 3.42Å; I1142-N1145 PolarHBondContact O-N 3.24Å
1143R64.9Low74.6Confident40 Ų4066.4 Ų66.415%0.15137%0.368CS..Hα-helixtrans-60.6-44.7178.6-70.7-166-108.1169.5-5.1111.5E1138 S1139 M1140 N1145 N1146 F1149 D1177E1138-R1143 HydrophobicContact CB-CG 4.05Å; E1138-R1143 PolarHBondContact O-NE 3.15Å; E1138-R1143 PolarHBondContact O-NH2 2.81Å; S1139-R1143 PolarHBondContact O-N 3.22Å; S1139-R1143 VanDerWaalsContact O-N 3.08Å; M1140-R1143 PolarHBondContact O-N 3.21Å; R1143-N1145 PolarHBondContact O-N 3.35Å; R1143-N1146 VanDerWaalsContact O-CB 3.24Å; R1143-N1146 WeakPolarHBondContact O-CB 3.35Å; R1143-N1146 PolarHBondContact O-N 3.03Å; R1143-F1149 VanDerWaalsContact C-CE2 3.48Å; R1143-F1149 HydrophobicContact CB-CD2 3.69Å; R1143-F1149 HydrophobicContact CB-CE2 3.52Å; R1143-F1149 WeakPolarHBondContact O-CB 3.41Å; R1143-F1149 WeakPolarHBondContact O-CD2 3.39Å; R1143-F1149 WeakPolarHBondContact O-CG 3.42Å; R1143-D1177 IonicContact CZ-OD2 2.69Å; R1143-D1177 IonicContact NH1-OD2 2.94Å; R1143-D1177 PolarHBondContact NH1-OD2 2.94Å; R1143-D1177 IonicContact NH2-OD2 2.75Å
1144T66.3Low74.8Confident62 Ų6264.8 Ų64.838%0.3836%0.363SS..Hα-helixtrans-58.4-28.8178.329.50000113.9M1140 N1141 I1142 N1146 F1149M1140-T1144 PolarHBondContact O-N 3.36Å; M1140-T1144 PolarHBondContact O-OG1 3.17Å; N1141-T1144 VanDerWaalsContact C-OG1 3.25Å; N1141-T1144 VanDerWaalsContact CA-OG1 3.24Å; N1141-T1144 WeakPolarHBondContact CA-OG1 3.24Å; N1141-T1144 PolarHBondContact O-OG1 3Å; I1142-T1144 PolarHBondContact O-N 3.42Å; T1144-N1146 VanDerWaalsContact C-N 3.25Å; T1144-N1146 PolarHBondContact O-N 3.32Å; T1144-F1149 HydrophobicContact CG2-CD1 4Å; T1144-F1149 HydrophobicContact CG2-CD2 4.5Å; T1144-F1149 HydrophobicContact CG2-CE1 3.37Å; T1144-F1149 HydrophobicContact CG2-CE2 3.92Å; T1144-F1149 HydrophobicContact CG2-CZ 3.31Å
1145N66.5Low75.1Confident144 Ų14464.8 Ų64.877%0.7736%0.363SS*.THydrogen-bonded Turntrans-79.5-8.6179.3-70.8-18.2000113.1N1141 I1142 R1143N1141-N1145 PolarHBondContact O-N 3.22Å; N1141-N1145 PolarHBondContact O-ND2 3.33Å; I1142-N1145 PolarHBondContact O-N 3.24Å; R1143-N1145 PolarHBondContact O-N 3.35Å
1146N72.2Confident75.5Confident86 Ų8663.8 Ų63.846%0.4636%0.36SS..SBendtrans-78.3132.7177.8-165.9-15.7000110.6R1143 T1144 E1148 F1149R1143-N1146 VanDerWaalsContact O-CB 3.24Å; R1143-N1146 WeakPolarHBondContact O-CB 3.35Å; R1143-N1146 PolarHBondContact O-N 3.03Å; T1144-N1146 VanDerWaalsContact C-N 3.25Å; T1144-N1146 PolarHBondContact O-N 3.32Å; N1146-E1148 PolarHBondContact O-N 3.06Å; N1146-E1148 PolarHBondContact OD1-N 3.48Å; N1146-F1149 VanDerWaalsContact O-CB 3.28Å; N1146-F1149 WeakPolarHBondContact O-CB 2.95Å; N1146-F1149 PolarHBondContact O-N 3.08Å
1147S67.1Low75.7Confident123 Ų12364.8 Ų64.886%0.8636%0.363SS*.THydrogen-bonded Turntrans-58.8-20.2177.354.40000113.6
1148E71.8Confident76.3Confident107 Ų10769.1 Ų69.150%0.538%0.381SS..THydrogen-bonded Turntrans-99.712.8179.5-62.3-156.413700114.4N1146 G1150 K1171N1146-E1148 PolarHBondContact O-N 3.06Å; N1146-E1148 PolarHBondContact OD1-N 3.48Å; E1148-G1150 VanDerWaalsContact C-N 3.27Å; E1148-G1150 PolarHBondContact O-N 2.98Å; E1148-G1150 VanDerWaalsContact O-N 3.13Å; E1148-K1171 HydrophobicContact CB-CD 4.05Å; E1148-K1171 HydrophobicContact CG-CD 4.4Å; E1148-K1171 IonicContact OE1-NZ 2.65Å; E1148-K1171 PolarHBondContact OE1-NZ 3.32Å; E1148-K1171 IonicContact OE2-NZ 3.22Å; E1148-K1171 PolarHBondContact OE2-NZ 3.41Å
1149F77.1Confident76.7Confident24 Ų2466.8 Ų66.811%0.10538%0.379CS..  trans-56.5-32.5-170.9-178.9-114.7000114.5R1143 T1144 N1146 L1152 Y1168R1143-F1149 VanDerWaalsContact C-CE2 3.48Å; R1143-F1149 HydrophobicContact CB-CD2 3.69Å; R1143-F1149 HydrophobicContact CB-CE2 3.52Å; R1143-F1149 WeakPolarHBondContact O-CB 3.41Å; R1143-F1149 WeakPolarHBondContact O-CD2 3.39Å; R1143-F1149 WeakPolarHBondContact O-CG 3.42Å; T1144-F1149 HydrophobicContact CG2-CD1 4Å; T1144-F1149 HydrophobicContact CG2-CD2 4.5Å; T1144-F1149 HydrophobicContact CG2-CE1 3.37Å; T1144-F1149 HydrophobicContact CG2-CE2 3.92Å; T1144-F1149 HydrophobicContact CG2-CZ 3.31Å; N1146-F1149 VanDerWaalsContact O-CB 3.28Å; N1146-F1149 WeakPolarHBondContact O-CB 2.95Å; N1146-F1149 PolarHBondContact O-N 3.08Å; F1149-L1152 HydrophobicContact CE1-CB 4.08Å; F1149-L1152 HydrophobicContact CZ-CB 4.36Å; F1149-Y1168 HydrophobicContact CD1-CE2 4.25Å; F1149-Y1168 AromaticContact CD2-CE2 3.7Å; F1149-Y1168 HydrophobicContact CD2-CE2 3.7Å; F1149-Y1168 HydrophobicContact CE1-CD2 4.26Å; F1149-Y1168 AromaticContact CE1-CE2 3.97Å; F1149-Y1168 HydrophobicContact CE1-CE2 3.97Å; F1149-Y1168 HydrophobicContact CE2-CD2 4.02Å; F1149-Y1168 AromaticContact CE2-CE2 3.42Å; F1149-Y1168 HydrophobicContact CE2-CE2 3.42Å; F1149-Y1168 VanDerWaalsContact CE2-CE2 3.42Å; F1149-Y1168 HydrophobicContact CG-CE2 4.14Å; F1149-Y1168 AromaticContact CZ-CD2 3.78Å; F1149-Y1168 HydrophobicContact CZ-CD2 3.78Å; F1149-Y1168 AromaticContact CZ-CE2 3.56Å; F1149-Y1168 HydrophobicContact CZ-CE2 3.56Å; F1149-Y1168 WeakPolarHBondContact O-CE2 3.42Å; F1149-Y1168 PolarHBondContact O-OH 2.98Å
1150G86.2Confident77.4Confident36 Ų3674.1 Ų74.137%0.37141%0.407SS..  trans82-129.6-170.300000111E1148 I1169E1148-G1150 VanDerWaalsContact C-N 3.27Å; E1148-G1150 PolarHBondContact O-N 2.98Å; E1148-G1150 VanDerWaalsContact O-N 3.13Å; G1150-I1169 CarbonylContact C-O 3.49Å; G1150-I1169 WeakPolarHBondContact CA-O 3.31Å
1151R91Very high78.4Confident72 Ų7276.9 Ų76.927%0.27242%0.419SS..EExtended strand (participates in β ladder)trans-140.5140-172.5-74.7-160.654.7172.6-5.4113.6I1169 D1210R1151-I1169 HydrophobicContact CB-CB 4.5Å; R1151-I1169 PolarHBondContact N-O 3.46Å; R1151-I1169 PolarHBondContact O-N 3.36Å; R1151-D1210 IonicContact CZ-OD1 2.83Å; R1151-D1210 IonicContact CZ-OD2 3.6Å; R1151-D1210 IonicContact NH1-OD1 2.7Å; R1151-D1210 PolarHBondContact NH1-OD1 2.9Å; R1151-D1210 IonicContact NH1-OD2 2.87Å; R1151-D1210 PolarHBondContact NH1-OD2 3Å; R1151-D1210 IonicContact NH2-OD1 3.78Å; R1151-D1210 PolarHBondContact NH2-OD1 3.27Å
1152L92.6Very high79.7Confident56 Ų5673.3 Ų73.329%0.29340%0.4SS..EExtended strand (participates in β ladder)trans-111.6122.7168.3-178.366.1000108.7M1140 F1149 V1154M1140-L1152 HydrophobicContact CE-CD1 4.34Å; M1140-L1152 HydrophobicContact SD-CD1 4.37Å; M1140-L1152 HydrophobicContact SD-CD2 3.82Å; F1149-L1152 HydrophobicContact CE1-CB 4.08Å; F1149-L1152 HydrophobicContact CZ-CB 4.36Å; L1152-V1154 HydrophobicContact CD2-CG2 4.24Å; L1152-V1154 HydrophobicContact CG-CG2 3.95Å
1153L95.1Very high81.1Confident0 Ų070.5 Ų70.50%039%0.385CS..EExtended strand (participates in β ladder)trans-107.8134.3174.7-45.3-176.8000108.4S1166 I1167 I1169 L1205 V1206 F1209 F1217L1153-S1166 CarbonylContact O-C 3.57Å; L1153-S1166 WeakPolarHBondContact O-CA 3.12Å; L1153-I1167 PolarHBondContact N-O 2.7Å; L1153-I1167 PolarHBondContact O-N 2.84Å; L1153-I1169 HydrophobicContact CD1-CD1 3.72Å; L1153-I1169 HydrophobicContact CG-CD1 4.17Å; L1153-L1205 HydrophobicContact CD1-CD2 4.31Å; L1153-L1205 HydrophobicContact CD1-CG 4.06Å; L1153-V1206 HydrophobicContact CD1-CG2 4.45Å; L1153-F1209 HydrophobicContact CB-CD2 4.34Å; L1153-F1209 HydrophobicContact CB-CE1 4.36Å; L1153-F1209 HydrophobicContact CB-CE2 4.19Å; L1153-F1209 HydrophobicContact CB-CG 4.5Å; L1153-F1209 HydrophobicContact CB-CZ 4.19Å; L1153-F1209 HydrophobicContact CD1-CB 4.34Å; L1153-F1209 HydrophobicContact CD1-CG 4.25Å; L1153-F1209 HydrophobicContact CD2-CD1 3.79Å; L1153-F1209 HydrophobicContact CD2-CE1 4.03Å; L1153-F1209 HydrophobicContact CD2-CG 4.24Å; L1153-F1217 HydrophobicContact CB-CE2 3.9Å; L1153-F1217 HydrophobicContact CB-CZ 3.64Å; L1153-F1217 HydrophobicContact CD1-CZ 4.12Å
1154V94.5Very high82.5Confident36 Ų3668.9 Ų68.922%0.21838%0.378CS..EExtended strand (participates in β ladder)trans-136.3138.1-176.4-173.40000109.6L1152 E1157 Y1164 F1165 F1209L1152-V1154 HydrophobicContact CD2-CG2 4.24Å; L1152-V1154 HydrophobicContact CG-CG2 3.95Å; V1154-E1157 HydrophobicContact CG1-CB 4.32Å; V1154-Y1164 HydrophobicContact CG1-CD2 4.1Å; V1154-Y1164 HydrophobicContact CG1-CE2 3.51Å; V1154-F1165 WeakPolarHBondContact CA-O 3.27Å; V1154-F1209 WeakPolarHBondContact O-CZ 3.26Å
1155T94.7Very high83.9Confident9 Ų966 Ų666%0.05536%0.36CS..EExtended strand (participates in β ladder)trans-130.6152.2169.956.40000109.9E1157 F1165 F1209 F1217T1155-E1157 PolarHBondContact O-N 2.87Å; T1155-F1165 PolarHBondContact N-O 2.86Å; T1155-F1165 PolarHBondContact O-N 3.34Å; T1155-F1209 HydrophobicContact CG2-CE2 3.89Å; T1155-F1217 HydrophobicContact CG2-CD1 4.49Å; T1155-F1217 HydrophobicContact CG2-CD2 3.69Å; T1155-F1217 HydrophobicContact CG2-CE2 3.81Å; T1155-F1217 HydrophobicContact CG2-CG 4.04Å; T1155-F1217 HydrophobicContact CG2-CZ 4.24Å; T1155-F1217 WeakPolarHBondContact OG1-CD2 3.17Å; T1155-F1217 PolarHBondContact OG1-N 3.46Å
1156G90.3Very high85.3Confident24 Ų2459.2 Ų59.225%0.24732%0.324CS..  trans70.325.4174.300000116.6Q1163G1156-Q1163 WeakPolarHBondContact CA-O 3.49Å
1157E82.3Confident86.5Confident87 Ų8755.1 Ų55.141%0.40730%0.302SS..SBendtrans-67.6-39.9176.4-169.2165.8-166.900112.7V955 Q959 V1154 T1155V955-E1157 HydrophobicContact CG1-CG 4.25Å; Q959-E1157 PolarHBondContact NE2-O 2.81Å; V1154-E1157 HydrophobicContact CG1-CB 4.32Å; T1155-E1157 PolarHBondContact O-N 2.87Å
1158D77Confident87.8Confident161 Ų16150.1 Ų50.186%0.86127%0.265SS*.SBendtrans-106.317.9-175.2-61.6-42.5000114.1
1159A74Confident88.8Confident49 Ų4945 Ų4541%0.40524%0.241SC..  trans-72.9143.6-179.100000112.1E1161A1159-E1161 WeakPolarHBondContact CB-O 3.48Å; A1159-E1161 PolarHBondContact O-N 3.36Å
1160E76.1Confident89.5Confident213 Ų21344.6 Ų44.6100%0.99524%0.24SC*.SBendtrans-57.7-37.7174.8-68.7-175.2173.700111.8
1161E84.2Confident89.6Confident77 Ų7747 Ų4736%0.3624%0.24SC..SBendtrans-100.6132.1171.5-175.8180-142.700109A1159 Q1163 T1183 K1184A1159-E1161 WeakPolarHBondContact CB-O 3.48Å; A1159-E1161 PolarHBondContact O-N 3.36Å; E1161-Q1163 PolarHBondContact O-N 3.44Å; E1161-Q1163 PolarHBondContact OE2-NE2 2.84Å; E1161-T1183 HydrophobicContact CG-CG2 4.17Å; E1161-T1183 WeakPolarHBondContact CG-OG1 3.42Å; E1161-T1183 PolarHBondContact OE1-OG1 3.07Å; E1161-T1183 VanDerWaalsContact OE1-OG1 3.13Å; E1161-K1184 VanDerWaalsContact OE1-CE 3.31Å; E1161-K1184 WeakPolarHBondContact OE1-CE 3.47Å; E1161-K1184 IonicContact OE1-NZ 3.76Å; E1161-K1184 WeakPolarHBondContact OE2-CE 3.36Å; E1161-K1184 IonicContact OE2-NZ 3.22Å; E1161-K1184 PolarHBondContact OE2-NZ 3.41Å
1162I86.7Confident89.5Confident30 Ų3050.6 Ų50.615%0.15426%0.255CS..  trans-63111.6-178.8-59.5171.8000109L1126 L1181 S1182 T1183L1126-I1162 HydrophobicContact CD1-CD1 4.01Å; L1126-I1162 HydrophobicContact CD2-CB 4.39Å; L1126-I1162 HydrophobicContact CD2-CD1 3.96Å; I1162-L1181 HydrophobicContact CG2-CD2 3.63Å; I1162-L1181 HydrophobicContact CG2-CG 3.78Å; I1162-S1182 WeakPolarHBondContact O-CA 3.31Å; I1162-T1183 HydrophobicContact CB-CG2 4.24Å; I1162-T1183 PolarHBondContact O-N 2.91Å; I1162-T1183 PolarHBondContact O-OG1 3.45Å
1163Q92Very high89.5Confident45 Ų4551.1 Ų51.121%0.2126%0.258CS..EExtended strand (participates in β ladder)trans-140.750.4177-64.6-171.519.100110.2G1156 E1161 L1181 Y1218G1156-Q1163 WeakPolarHBondContact CA-O 3.49Å; E1161-Q1163 PolarHBondContact O-N 3.44Å; E1161-Q1163 PolarHBondContact OE2-NE2 2.84Å; Q1163-L1181 CarbonylContact C-O 3.53Å; Q1163-Y1218 HydrophobicContact CB-CD2 4.47Å; Q1163-Y1218 HydrophobicContact CB-CE2 4.19Å
1164Y94.7Very high89.5Confident6 Ų653.3 Ų53.32%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-75.2131.6-179.1177.7-84.7000111I956 V1154 S1166 C1180 L1181 Y1218I956-Y1164 HydrophobicContact CD1-CD1 3.95Å; I956-Y1164 HydrophobicContact CD1-CE1 3.68Å; I956-Y1164 HydrophobicContact CG1-CD1 4.1Å; I956-Y1164 HydrophobicContact CG1-CE1 4.01Å; V1154-Y1164 HydrophobicContact CG1-CD2 4.1Å; V1154-Y1164 HydrophobicContact CG1-CE2 3.51Å; Y1164-S1166 WeakPolarHBondContact CE1-OG 3.41Å; Y1164-S1166 WeakPolarHBondContact OH-CB 3.47Å; Y1164-S1166 PolarHBondContact OH-OG 3.27Å; Y1164-C1180 WeakPolarHBondContact O-CA 3.33Å; Y1164-L1181 PolarHBondContact N-O 2.92Å; Y1164-L1181 PolarHBondContact O-N 3.01Å; Y1164-Y1218 PolarHBondContact O-OH 3.46Å
1165F96.5Very high89.5Confident0 Ų051.6 Ų51.60%026%0.259CS..EExtended strand (participates in β ladder)trans-141.7122.9171.9-163.5-46.1000108.9V1154 T1155 I1167 I1178 T1179 Y1191 F1217 Y1218 F1221V1154-F1165 WeakPolarHBondContact CA-O 3.27Å; T1155-F1165 PolarHBondContact N-O 2.86Å; T1155-F1165 PolarHBondContact O-N 3.34Å; F1165-I1167 HydrophobicContact CD1-CD1 4.48Å; F1165-I1167 HydrophobicContact CD1-CG1 4.03Å; F1165-I1167 HydrophobicContact CE1-CD1 3.78Å; F1165-I1167 HydrophobicContact CE1-CG1 3.56Å; F1165-I1178 HydrophobicContact CE1-CG2 3.8Å; F1165-I1178 HydrophobicContact CZ-CG2 4.12Å; F1165-T1179 CarbonylContact C-O 3.57Å; F1165-T1179 WeakPolarHBondContact CA-O 3.45Å; F1165-Y1191 AromaticContact CE2-CD2 3.92Å; F1165-Y1191 HydrophobicContact CE2-CD2 3.92Å; F1165-Y1191 AromaticContact CE2-CE2 3.76Å; F1165-Y1191 HydrophobicContact CE2-CE2 3.76Å; F1165-Y1191 HydrophobicContact CE2-CG 4.43Å; F1165-Y1191 HydrophobicContact CZ-CD2 4.26Å; F1165-Y1191 HydrophobicContact CZ-CG 4.42Å; F1165-F1217 HydrophobicContact CB-CB 3.9Å; F1165-F1217 HydrophobicContact CB-CD2 4.08Å; F1165-F1217 HydrophobicContact CD1-CB 3.77Å; F1165-F1217 AromaticContact CD1-CD2 3.7Å; F1165-F1217 HydrophobicContact CD1-CD2 3.7Å; F1165-F1217 HydrophobicContact CD1-CG 4.07Å; F1165-F1217 HydrophobicContact CD2-CB 3.56Å; F1165-F1217 HydrophobicContact CE1-CB 4.17Å; F1165-F1217 HydrophobicContact CE1-CD2 4.42Å; F1165-F1217 HydrophobicContact CE2-CB 3.96Å; F1165-F1217 HydrophobicContact CG-CB 3.47Å; F1165-F1217 VanDerWaalsContact CG-CB 3.47Å; F1165-F1217 HydrophobicContact CG-CD2 4Å; F1165-F1217 HydrophobicContact CG-CG 4.19Å; F1165-F1217 HydrophobicContact CZ-CB 4.27Å; F1165-Y1218 HydrophobicContact CB-CD2 4.43Å; F1165-Y1218 HydrophobicContact CB-CE2 3.87Å; F1165-Y1218 AromaticContact CD2-CD1 3.81Å; F1165-Y1218 HydrophobicContact CD2-CD1 3.81Å; F1165-Y1218 HydrophobicContact CD2-CD2 4.17Å; F1165-Y1218 AromaticContact CD2-CE1 3.66Å; F1165-Y1218 HydrophobicContact CD2-CE1 3.66Å; F1165-Y1218 HydrophobicContact CD2-CE2 4.01Å; F1165-Y1218 HydrophobicContact CD2-CG 4.06Å; F1165-Y1218 AromaticContact CD2-CZ 3.75Å; F1165-Y1218 HydrophobicContact CE2-CD1 4.21Å; F1165-Y1218 HydrophobicContact CE2-CE1 4.21Å; F1165-Y1218 HydrophobicContact CG-CE2 4.46Å; F1165-F1221 HydrophobicContact CE1-CE2 4.44Å; F1165-F1221 HydrophobicContact CE2-CD2 4.22Å; F1165-F1221 AromaticContact CZ-CD2 3.91Å; F1165-F1221 HydrophobicContact CZ-CD2 3.91Å; F1165-F1221 HydrophobicContact CZ-CE2 4.2Å
1166S95.6Very high89.5Confident2 Ų252.7 Ų52.71%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-123.5143.617367.80000113.9L1153 Y1164 I1178 T1179L1153-S1166 CarbonylContact O-C 3.57Å; L1153-S1166 WeakPolarHBondContact O-CA 3.12Å; Y1164-S1166 WeakPolarHBondContact CE1-OG 3.41Å; Y1164-S1166 WeakPolarHBondContact OH-CB 3.47Å; Y1164-S1166 PolarHBondContact OH-OG 3.27Å; S1166-I1178 WeakPolarHBondContact O-CA 3.2Å; S1166-T1179 PolarHBondContact N-O 2.93Å; S1166-T1179 PolarHBondContact O-N 3.19Å; S1166-T1179 WeakPolarHBondContact OG-CB 3.38Å
1167I96.2Very high89.7Confident0 Ų051.7 Ų51.70%025%0.252CS..EExtended strand (participates in β ladder)trans-126.6122.1175.2-62.8-178.4000108.5L1153 F1165 I1169 I1175 D1177 L1205 F1217 F1221L1153-I1167 PolarHBondContact N-O 2.7Å; L1153-I1167 PolarHBondContact O-N 2.84Å; F1165-I1167 HydrophobicContact CD1-CD1 4.48Å; F1165-I1167 HydrophobicContact CD1-CG1 4.03Å; F1165-I1167 HydrophobicContact CE1-CD1 3.78Å; F1165-I1167 HydrophobicContact CE1-CG1 3.56Å; I1167-I1169 HydrophobicContact CG2-CD1 4.34Å; I1167-I1169 HydrophobicContact CG2-CG1 3.82Å; I1167-I1175 HydrophobicContact CD1-CD1 4.45Å; I1167-I1175 HydrophobicContact CG2-CB 4.45Å; I1167-I1175 HydrophobicContact CG2-CD1 3.73Å; I1167-I1175 HydrophobicContact CG2-CG1 3.77Å; I1167-I1175 HydrophobicContact CG2-CG2 4.01Å; I1167-D1177 WeakPolarHBondContact CA-O 3.44Å; I1167-L1205 HydrophobicContact CD1-CD2 4.18Å; I1167-F1217 HydrophobicContact CG1-CE2 4.48Å; I1167-F1221 HydrophobicContact CD1-CE2 3.39Å; I1167-F1221 HydrophobicContact CD1-CZ 3.58Å
1168Y94.4Very high90.4Very high18 Ų1847.6 Ų47.67%0.07123%0.233CC..EExtended strand (participates in β ladder)trans-97.1127.7170.5173.9-113.6000110.3F1149 Q1176 D1177F1149-Y1168 HydrophobicContact CD1-CE2 4.25Å; F1149-Y1168 AromaticContact CD2-CE2 3.7Å; F1149-Y1168 HydrophobicContact CD2-CE2 3.7Å; F1149-Y1168 HydrophobicContact CE1-CD2 4.26Å; F1149-Y1168 AromaticContact CE1-CE2 3.97Å; F1149-Y1168 HydrophobicContact CE1-CE2 3.97Å; F1149-Y1168 HydrophobicContact CE2-CD2 4.02Å; F1149-Y1168 AromaticContact CE2-CE2 3.42Å; F1149-Y1168 HydrophobicContact CE2-CE2 3.42Å; F1149-Y1168 VanDerWaalsContact CE2-CE2 3.42Å; F1149-Y1168 HydrophobicContact CG-CE2 4.14Å; F1149-Y1168 AromaticContact CZ-CD2 3.78Å; F1149-Y1168 HydrophobicContact CZ-CD2 3.78Å; F1149-Y1168 AromaticContact CZ-CE2 3.56Å; F1149-Y1168 HydrophobicContact CZ-CE2 3.56Å; F1149-Y1168 WeakPolarHBondContact O-CE2 3.42Å; F1149-Y1168 PolarHBondContact O-OH 2.98Å; Y1168-Q1176 HydrophobicContact CD1-CB 3.77Å; Y1168-Q1176 HydrophobicContact CE1-CB 3.96Å; Y1168-Q1176 PolarHBondContact O-N 3.45Å; Y1168-D1177 HydrophobicContact CD1-CB 4.28Å; Y1168-D1177 HydrophobicContact CG-CB 4.49Å; Y1168-D1177 PolarHBondContact N-O 3.48Å; Y1168-D1177 PolarHBondContact O-N 3Å
1169I94.4Very high91.3Very high1 Ų140 Ų401%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-121127.5-177.8-51.7178.5000107.7G1150 R1151 L1153 I1167 N1173 I1174 I1175 E1199 L1205 V1206G1150-I1169 CarbonylContact C-O 3.49Å; G1150-I1169 WeakPolarHBondContact CA-O 3.31Å; R1151-I1169 HydrophobicContact CB-CB 4.5Å; R1151-I1169 PolarHBondContact N-O 3.46Å; R1151-I1169 PolarHBondContact O-N 3.36Å; L1153-I1169 HydrophobicContact CD1-CD1 3.72Å; L1153-I1169 HydrophobicContact CG-CD1 4.17Å; I1167-I1169 HydrophobicContact CG2-CD1 4.34Å; I1167-I1169 HydrophobicContact CG2-CG1 3.82Å; I1169-N1173 VanDerWaalsContact CG2-CA 3.42Å; I1169-N1173 HydrophobicContact CG2-CB 4.46Å; I1169-I1174 WeakPolarHBondContact CA-O 3.23Å; I1169-I1175 HydrophobicContact CG1-CG1 4.28Å; I1169-E1199 HydrophobicContact CD1-CB 4.19Å; I1169-L1205 HydrophobicContact CD1-CD2 4.23Å; I1169-V1206 HydrophobicContact CD1-CG2 3.51Å
1170N90.9Very high92.4Very high15 Ų1537.6 Ų37.68%0.0817%0.173CC..  trans-75.2178-179.371.413.3000113Y1172 N1173 I1174 Q1176N1170-Y1172 PolarHBondContact O-N 3.25Å; N1170-Y1172 VanDerWaalsContact OD1-C 3.3Å; N1170-Y1172 VanDerWaalsContact OD1-CA 3.31Å; N1170-Y1172 WeakPolarHBondContact OD1-CA 3.3Å; N1170-Y1172 WeakPolarHBondContact OD1-CB 3.42Å; N1170-Y1172 PolarHBondContact OD1-N 3.26Å; N1170-N1173 PolarHBondContact O-N 3.08Å; N1170-N1173 PolarHBondContact OD1-N 3.06Å; N1170-I1174 PolarHBondContact N-O 2.74Å; N1170-I1174 PolarHBondContact OD1-N 3.18Å; N1170-I1174 PolarHBondContact OD1-O 2.93Å; N1170-Q1176 HydrophobicContact CB-CG 4.15Å; N1170-Q1176 PolarHBondContact ND2-NE2 2.95Å
1171K87.6Confident93.3Very high85 Ų8527.5 Ų27.537%0.3713%0.126SC..THydrogen-bonded Turntrans-58.1-17176.373-170.9-172.2-1780115.4E1148E1148-K1171 HydrophobicContact CB-CD 4.05Å; E1148-K1171 HydrophobicContact CG-CD 4.4Å; E1148-K1171 IonicContact OE1-NZ 2.65Å; E1148-K1171 PolarHBondContact OE1-NZ 3.32Å; E1148-K1171 IonicContact OE2-NZ 3.22Å; E1148-K1171 PolarHBondContact OE2-NZ 3.41Å
1172Y89Confident93.8Very high149 Ų14924 Ų2458%0.58411%0.11SC*.THydrogen-bonded Turntrans-99.614.7177.2-53.5-67.6000112.7N1170 I1174 H1198N1170-Y1172 PolarHBondContact O-N 3.25Å; N1170-Y1172 VanDerWaalsContact OD1-C 3.3Å; N1170-Y1172 VanDerWaalsContact OD1-CA 3.31Å; N1170-Y1172 WeakPolarHBondContact OD1-CA 3.3Å; N1170-Y1172 WeakPolarHBondContact OD1-CB 3.42Å; N1170-Y1172 PolarHBondContact OD1-N 3.26Å; Y1172-I1174 VanDerWaalsContact C-N 3.26Å; Y1172-I1174 PolarHBondContact O-N 3.47Å; Y1172-H1198 PolarHBondContact O-CD2 2.91Å
1173N92.9Very high94.2Very high67 Ų6724.9 Ų24.936%0.35812%0.116SC..SBendtrans61.727.9179.3-64.9-34000114.5I1169 N1170 H1198 E1199I1169-N1173 VanDerWaalsContact CG2-CA 3.42Å; I1169-N1173 HydrophobicContact CG2-CB 4.46Å; N1170-N1173 PolarHBondContact O-N 3.08Å; N1170-N1173 PolarHBondContact OD1-N 3.06Å; N1173-H1198 WeakPolarHBondContact CB-NE2 2.96Å; N1173-H1198 CarbonylContact O-C 3.52Å; N1173-H1198 WeakPolarHBondContact O-CA 3.48Å; N1173-E1199 HydrophobicContact CB-CG 3.83Å; N1173-E1199 PolarHBondContact O-N 3.49Å
1174I94.9Very high94.2Very high45 Ų4528 Ų2823%0.23113%0.129CC..BIsolated β-bridgetrans-104134.3176.3-61.4172000109.7I1169 N1170 Y1172 Q1176 L1197I1169-I1174 WeakPolarHBondContact CA-O 3.23Å; N1170-I1174 PolarHBondContact N-O 2.74Å; N1170-I1174 PolarHBondContact OD1-N 3.18Å; N1170-I1174 PolarHBondContact OD1-O 2.93Å; Y1172-I1174 VanDerWaalsContact C-N 3.26Å; Y1172-I1174 PolarHBondContact O-N 3.47Å; I1174-Q1176 PolarHBondContact O-N 3.35Å; I1174-L1197 WeakPolarHBondContact CA-O 3.49Å
1175I95.7Very high94.2Very high0 Ų035.2 Ų35.20%016%0.163CC..EExtended strand (participates in β ladder)trans-66.1124.4173.7-64.8-174.8000110I1167 I1169 I1178 N1196 L1197 L1202 L1205I1167-I1175 HydrophobicContact CD1-CD1 4.45Å; I1167-I1175 HydrophobicContact CG2-CB 4.45Å; I1167-I1175 HydrophobicContact CG2-CD1 3.73Å; I1167-I1175 HydrophobicContact CG2-CG1 3.77Å; I1167-I1175 HydrophobicContact CG2-CG2 4.01Å; I1169-I1175 HydrophobicContact CG1-CG1 4.28Å; I1175-I1178 HydrophobicContact CG2-CD1 3.99Å; I1175-I1178 HydrophobicContact CG2-CG1 3.68Å; I1175-N1196 WeakPolarHBondContact O-CA 3.47Å; I1175-N1196 PolarHBondContact O-N 3.02Å; I1175-L1197 PolarHBondContact N-O 3.32Å; I1175-L1202 HydrophobicContact CD1-CD1 3.22Å; I1175-L1202 HydrophobicContact CG1-CD1 4.32Å; I1175-L1205 HydrophobicContact CD1-CD2 4.24Å
1176Q93.6Very high94.1Very high33 Ų3336.1 Ų36.115%0.15417%0.167CC..EExtended strand (participates in β ladder)trans-119.6-31178.4-74.8-171.6-21.800113.5Q1133 Y1168 N1170 I1174 F1195Q1133-Q1176 HydrophobicContact CB-CB 4.35Å; Q1133-Q1176 PolarHBondContact N-O 2.74Å; Q1133-Q1176 VanDerWaalsContact N-O 3.11Å; Y1168-Q1176 HydrophobicContact CD1-CB 3.77Å; Y1168-Q1176 HydrophobicContact CE1-CB 3.96Å; Y1168-Q1176 PolarHBondContact O-N 3.45Å; N1170-Q1176 HydrophobicContact CB-CG 4.15Å; N1170-Q1176 PolarHBondContact ND2-NE2 2.95Å; I1174-Q1176 PolarHBondContact O-N 3.35Å; Q1176-F1195 WeakPolarHBondContact O-CE2 3.22Å
1177D94.2Very high94.2Very high3 Ų336.9 Ų36.92%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-129.5143.3171.3-51.8-33.1000110.8C1131 T1132 Q1133 R1143 I1167 Y1168C1131-D1177 CarbonylContact O-C 3.54Å; C1131-D1177 WeakPolarHBondContact O-CA 3.46Å; T1132-D1177 VanDerWaalsContact CA-OD1 3.25Å; T1132-D1177 WeakPolarHBondContact CA-OD1 3.09Å; T1132-D1177 VanDerWaalsContact CB-OD1 3.3Å; T1132-D1177 WeakPolarHBondContact CB-OD1 3.25Å; T1132-D1177 PolarHBondContact OG1-OD1 2.93Å; Q1133-D1177 PolarHBondContact N-OD1 3.47Å; R1143-D1177 IonicContact CZ-OD2 2.69Å; R1143-D1177 IonicContact NH1-OD2 2.94Å; R1143-D1177 PolarHBondContact NH1-OD2 2.94Å; R1143-D1177 IonicContact NH2-OD2 2.75Å; I1167-D1177 WeakPolarHBondContact CA-O 3.44Å; Y1168-D1177 HydrophobicContact CD1-CB 4.28Å; Y1168-D1177 HydrophobicContact CG-CB 4.49Å; Y1168-D1177 PolarHBondContact N-O 3.48Å; Y1168-D1177 PolarHBondContact O-N 3Å
1178I96.7Very high94.2Very high0 Ų037.2 Ų37.20%018%0.175CC..EExtended strand (participates in β ladder)trans-130.8127.1172.6-57.4170.1000106.5H1130 C1131 F1165 S1166 I1175 Y1191 L1194 F1195H1130-I1178 CarbonylContact C-O 3.57Å; H1130-I1178 WeakPolarHBondContact CA-O 3.4Å; H1130-I1178 PolarHBondContact ND1-O 3Å; C1131-I1178 HydrophobicContact CB-CB 4.18Å; C1131-I1178 PolarHBondContact N-O 3.13Å; C1131-I1178 PolarHBondContact O-N 3.34Å; F1165-I1178 HydrophobicContact CE1-CG2 3.8Å; F1165-I1178 HydrophobicContact CZ-CG2 4.12Å; S1166-I1178 WeakPolarHBondContact O-CA 3.2Å; I1175-I1178 HydrophobicContact CG2-CD1 3.99Å; I1175-I1178 HydrophobicContact CG2-CG1 3.68Å; I1178-Y1191 VanDerWaalsContact CD1-O 3.3Å; I1178-Y1191 WeakPolarHBondContact CD1-O 3.41Å; I1178-L1194 HydrophobicContact CD1-CB 3.74Å; I1178-F1195 HydrophobicContact CD1-CB 4.45Å
1179T96.4Very high94.2Very high1 Ų139.3 Ų39.31%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-133.6124.8176.9-44.60000110N952 I956 Y1128 L1129 H1130 F1165 S1166N952-T1179 PolarHBondContact ND2-OG1 3.45Å; N952-T1179 VanDerWaalsContact ND2-OG1 3.16Å; I956-T1179 HydrophobicContact CD1-CG2 3.39Å; Y1128-T1179 HydrophobicContact CE2-CG2 3.81Å; L1129-T1179 CarbonylContact O-C 3.58Å; L1129-T1179 WeakPolarHBondContact O-CA 3.46Å; H1130-T1179 HydrophobicContact CB-CG2 4.49Å; H1130-T1179 PolarHBondContact ND1-OG1 3.02Å; F1165-T1179 CarbonylContact C-O 3.57Å; F1165-T1179 WeakPolarHBondContact CA-O 3.45Å; S1166-T1179 PolarHBondContact N-O 2.93Å; S1166-T1179 PolarHBondContact O-N 3.19Å; S1166-T1179 WeakPolarHBondContact OG-CB 3.38Å
1180C96.7Very high94.3Very high0 Ų039.5 Ų39.50%019%0.186CC..EExtended strand (participates in β ladder)trans-124.5137.4-179.2-51.60000109.1Y1128 L1129 Y1164 F1186 Y1218Y1128-C1180 WeakPolarHBondContact CA-O 3.25Å; Y1128-C1180 WeakPolarHBondContact CD2-O 3.18Å; L1129-C1180 HydrophobicContact CB-CB 4.18Å; L1129-C1180 PolarHBondContact N-O 2.86Å; L1129-C1180 PolarHBondContact O-N 3.47Å; Y1164-C1180 WeakPolarHBondContact O-CA 3.33Å; C1180-F1186 HydrophobicContact CB-CE1 3.94Å; C1180-F1186 HydrophobicContact CB-CE2 3.9Å; C1180-F1186 HydrophobicContact CB-CZ 3.52Å; C1180-Y1218 HydrophobicContact CB-CE1 4.34Å; C1180-Y1218 WeakPolarHBondContact CB-OH 3.43Å
1181L96.2Very high94.6Very high0 Ų038.8 Ų38.80%018%0.183CC..EExtended strand (participates in β ladder)trans-139.2118.5169-179.976.7000108.3I956 I960 L1122 L1126 F1127 Y1128 I1162 Q1163 Y1164 Y1218I956-L1181 HydrophobicContact CG2-CD2 4.24Å; I960-L1181 HydrophobicContact CG1-CD2 4.47Å; L1122-L1181 HydrophobicContact CD1-CD1 3.97Å; L1126-L1181 HydrophobicContact CB-CD1 3.97Å; F1127-L1181 CarbonylContact O-C 3.54Å; F1127-L1181 VanDerWaalsContact O-CA 3.31Å; F1127-L1181 WeakPolarHBondContact O-CA 3Å; Y1128-L1181 HydrophobicContact CD2-CD1 4.25Å; I1162-L1181 HydrophobicContact CG2-CD2 3.63Å; I1162-L1181 HydrophobicContact CG2-CG 3.78Å; Q1163-L1181 CarbonylContact C-O 3.53Å; Y1164-L1181 PolarHBondContact N-O 2.92Å; Y1164-L1181 PolarHBondContact O-N 3.01Å; L1181-Y1218 PolarHBondContact N-OH 2.93Å; L1181-Y1218 PolarHBondContact O-OH 2.81Å
1182S95.4Very high95Very high4 Ų436 Ų363%0.02817%0.172CC..EExtended strand (participates in β ladder)trans-142.5149.6-176.8-175.30000111.9L1126 F1127 I1162 K1184L1126-S1182 CarbonylContact C-O 3.44Å; L1126-S1182 WeakPolarHBondContact CA-O 3.44Å; F1127-S1182 PolarHBondContact N-O 3.45Å; F1127-S1182 PolarHBondContact O-N 3.25Å; I1162-S1182 WeakPolarHBondContact O-CA 3.31Å; S1182-K1184 VanDerWaalsContact C-N 3.31Å; S1182-K1184 VanDerWaalsContact CB-O 3.27Å; S1182-K1184 WeakPolarHBondContact CB-O 3.44Å; S1182-K1184 PolarHBondContact OG-N 2.86Å; S1182-K1184 PolarHBondContact OG-O 2.82Å
1183T93.3Very high95.3Very high48 Ų4831.4 Ų31.429%0.29416%0.155SC..SBendtrans-72.9-25.416548.70000112.6L1126 E1161 I1162L1126-T1183 HydrophobicContact CD2-CG2 3.53Å; E1161-T1183 HydrophobicContact CG-CG2 4.17Å; E1161-T1183 WeakPolarHBondContact CG-OG1 3.42Å; E1161-T1183 PolarHBondContact OE1-OG1 3.07Å; E1161-T1183 VanDerWaalsContact OE1-OG1 3.13Å; I1162-T1183 HydrophobicContact CB-CG2 4.24Å; I1162-T1183 PolarHBondContact O-N 2.91Å; I1162-T1183 PolarHBondContact O-OG1 3.45Å
1184K93Very high95.5Very high110 Ų11028.2 Ų28.248%0.47814%0.138SC..SBendtrans-98.2137.8178.3-64.9175.2-172143.60110.2E1161 S1182 F1186E1161-K1184 VanDerWaalsContact OE1-CE 3.31Å; E1161-K1184 WeakPolarHBondContact OE1-CE 3.47Å; E1161-K1184 IonicContact OE1-NZ 3.76Å; E1161-K1184 WeakPolarHBondContact OE2-CE 3.36Å; E1161-K1184 IonicContact OE2-NZ 3.22Å; E1161-K1184 PolarHBondContact OE2-NZ 3.41Å; S1182-K1184 VanDerWaalsContact C-N 3.31Å; S1182-K1184 VanDerWaalsContact CB-O 3.27Å; S1182-K1184 WeakPolarHBondContact CB-O 3.44Å; S1182-K1184 PolarHBondContact OG-N 2.86Å; S1182-K1184 PolarHBondContact OG-O 2.82Å; K1184-F1186 PolarHBondContact O-N 2.97Å
1185E94.1Very high95.5Very high159 Ų15927 Ų2774%0.74313%0.131SC*.  trans-60.8136.6174-168.7170.5-178.500110.1F1127F1127-E1185 HydrophobicContact CD1-CB 4.11Å; F1127-E1185 HydrophobicContact CD1-CG 3.94Å; F1127-E1185 HydrophobicContact CD2-CB 4.21Å; F1127-E1185 HydrophobicContact CE1-CB 3.71Å; F1127-E1185 HydrophobicContact CE1-CG 3.62Å; F1127-E1185 HydrophobicContact CE2-CB 3.84Å; F1127-E1185 HydrophobicContact CG-CB 4.34Å; F1127-E1185 HydrophobicContact CZ-CB 3.57Å; F1127-E1185 HydrophobicContact CZ-CG 4.02Å
1186F95.9Very high95.4Very high19 Ų1929.9 Ų29.98%0.08315%0.147CC..  trans-127.4156.5179.754-104.2000110.3F1127 L1129 C1180 K1184 A1188 Y1191 Y1218F1127-F1186 HydrophobicContact CB-CD1 4.14Å; F1127-F1186 HydrophobicContact CB-CE1 3.61Å; F1127-F1186 HydrophobicContact CB-CZ 4.16Å; F1127-F1186 WeakPolarHBondContact O-CE1 3.3Å; L1129-F1186 HydrophobicContact CB-CE2 3.61Å; L1129-F1186 HydrophobicContact CB-CZ 3.8Å; L1129-F1186 HydrophobicContact CD2-CE2 4.12Å; C1180-F1186 HydrophobicContact CB-CE1 3.94Å; C1180-F1186 HydrophobicContact CB-CE2 3.9Å; C1180-F1186 HydrophobicContact CB-CZ 3.52Å; K1184-F1186 PolarHBondContact O-N 2.97Å; F1186-A1188 VanDerWaalsContact C-N 3.28Å; F1186-A1188 HydrophobicContact CD2-CB 4.28Å; F1186-A1188 HydrophobicContact CE2-CB 4.07Å; F1186-A1188 PolarHBondContact O-N 3.4Å; F1186-Y1191 HydrophobicContact CB-CE2 3.8Å; F1186-Y1191 AromaticContact CD2-CD2 3.81Å; F1186-Y1191 HydrophobicContact CD2-CD2 3.81Å; F1186-Y1191 AromaticContact CD2-CE2 3.68Å; F1186-Y1191 HydrophobicContact CD2-CE2 3.68Å; F1186-Y1191 HydrophobicContact CE2-CD2 4.39Å; F1186-Y1191 AromaticContact CG-CE2 3.97Å; F1186-Y1191 HydrophobicContact CG-CE2 3.97Å; F1186-Y1218 HydrophobicContact CB-CD1 4.01Å; F1186-Y1218 HydrophobicContact CB-CE1 3.93Å; F1186-Y1218 AromaticContact CD1-CE1 3.63Å; F1186-Y1218 HydrophobicContact CD1-CE1 3.63Å; F1186-Y1218 HydrophobicContact CE1-CE1 4.28Å; F1186-Y1218 HydrophobicContact CG-CD1 4.38Å; F1186-Y1218 AromaticContact CG-CE1 3.79Å; F1186-Y1218 HydrophobicContact CG-CE1 3.79Å
1187P96.1Very high95.5Very high18 Ų1828.9 Ų28.912%0.11714%0.142CC..  trans-74.176.1-176.431.7-37.9000112I573 E1189 N1190 Y1191I573-P1187 HydrophobicContact CB-CB 3.65Å; I573-P1187 HydrophobicContact CD1-CB 4.06Å; I573-P1187 HydrophobicContact CG1-CB 4.44Å; I573-P1187 HydrophobicContact CG2-CB 3.68Å; P1187-E1189 VanDerWaalsContact C-N 3.28Å; P1187-E1189 PolarHBondContact O-N 2.84Å; P1187-N1190 HydrophobicContact CB-CB 4.13Å; P1187-N1190 HydrophobicContact CG-CB 4.41Å; P1187-N1190 WeakPolarHBondContact O-CB 3.49Å; P1187-N1190 PolarHBondContact O-N 3.23Å; P1187-Y1191 HydrophobicContact CG-CE1 3.9Å; P1187-Y1191 HydrophobicContact CG-CE2 4.49Å; P1187-Y1191 PolarHBondContact O-N 2.95Å
1188A96.6Very high95.6Very high6 Ų632.1 Ų32.15%0.0516%0.157CC..Hα-helixtrans-54.6-41.2-174.400000113.3Y673 L1129 F1186 N1190 Y1191 I1192Y673-A1188 HydrophobicContact CE1-CB 3.86Å; Y673-A1188 HydrophobicContact CE2-CB 4.14Å; Y673-A1188 WeakPolarHBondContact OH-CB 3.39Å; L1129-A1188 HydrophobicContact CD1-CB 4.33Å; L1129-A1188 HydrophobicContact CD2-CB 4.06Å; F1186-A1188 VanDerWaalsContact C-N 3.28Å; F1186-A1188 HydrophobicContact CD2-CB 4.28Å; F1186-A1188 HydrophobicContact CE2-CB 4.07Å; F1186-A1188 PolarHBondContact O-N 3.4Å; A1188-N1190 VanDerWaalsContact C-N 3.29Å; A1188-N1190 PolarHBondContact O-N 2.68Å; A1188-Y1191 PolarHBondContact O-N 3.47Å; A1188-Y1191 VanDerWaalsContact O-N 3.16Å; A1188-I1192 VanDerWaalsContact O-CG1 3.29Å; A1188-I1192 WeakPolarHBondContact O-CG1 3.42Å; A1188-I1192 PolarHBondContact O-N 3.41Å
1189E94.5Very high95.5Very high63 Ų6333.2 Ų33.229%0.29416%0.162SC..Hα-helixtrans-59.4-36.4177.6-68.3-174.1-114.800113.4I573 Y673 P1187I573-E1189 HydrophobicContact CD1-CB 4.09Å; I573-E1189 HydrophobicContact CD1-CG 4.45Å; Y673-E1189 HydrophobicContact CD1-CG 4.35Å; P1187-E1189 VanDerWaalsContact C-N 3.28Å; P1187-E1189 PolarHBondContact O-N 2.84Å
1190N97Very high95.4Very high5 Ų535.5 Ų35.53%0.02718%0.179CC..Hα-helixtrans-66.9-47.8175-702000110.3I573 P1187 A1188 I1192 Q1193 Y1230I573-N1190 PolarHBondContact N-OD1 3.02Å; I573-N1190 PolarHBondContact O-ND2 3.16Å; P1187-N1190 HydrophobicContact CB-CB 4.13Å; P1187-N1190 HydrophobicContact CG-CB 4.41Å; P1187-N1190 WeakPolarHBondContact O-CB 3.49Å; P1187-N1190 PolarHBondContact O-N 3.23Å; A1188-N1190 VanDerWaalsContact C-N 3.29Å; A1188-N1190 PolarHBondContact O-N 2.68Å; N1190-I1192 VanDerWaalsContact C-N 3.28Å; N1190-I1192 PolarHBondContact O-N 3.42Å; N1190-Q1193 WeakPolarHBondContact O-CB 3.29Å; N1190-Q1193 PolarHBondContact O-N 2.97Å; N1190-Y1230 HydrophobicContact CB-CD1 3.83Å; N1190-Y1230 HydrophobicContact CB-CD2 3.62Å; N1190-Y1230 HydrophobicContact CB-CE1 3.93Å; N1190-Y1230 HydrophobicContact CB-CE2 3.75Å; N1190-Y1230 HydrophobicContact CB-CG 3.68Å; N1190-Y1230 WeakPolarHBondContact ND2-CD2 3.33Å; N1190-Y1230 WeakPolarHBondContact O-CD1 3.33Å; N1190-Y1230 WeakPolarHBondContact O-CE1 3.48Å
1191Y97.7Very high95.3Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-65.4-31.4-177.3-59.5-17000112.6L1129 F1165 I1178 F1186 P1187 A1188 Q1193 L1194 Y1218 F1221 N1222L1129-Y1191 HydrophobicContact CD2-CD2 4.39Å; F1165-Y1191 AromaticContact CE2-CD2 3.92Å; F1165-Y1191 HydrophobicContact CE2-CD2 3.92Å; F1165-Y1191 AromaticContact CE2-CE2 3.76Å; F1165-Y1191 HydrophobicContact CE2-CE2 3.76Å; F1165-Y1191 HydrophobicContact CE2-CG 4.43Å; F1165-Y1191 HydrophobicContact CZ-CD2 4.26Å; F1165-Y1191 HydrophobicContact CZ-CG 4.42Å; I1178-Y1191 VanDerWaalsContact CD1-O 3.3Å; I1178-Y1191 WeakPolarHBondContact CD1-O 3.41Å; F1186-Y1191 HydrophobicContact CB-CE2 3.8Å; F1186-Y1191 AromaticContact CD2-CD2 3.81Å; F1186-Y1191 HydrophobicContact CD2-CD2 3.81Å; F1186-Y1191 AromaticContact CD2-CE2 3.68Å; F1186-Y1191 HydrophobicContact CD2-CE2 3.68Å; F1186-Y1191 HydrophobicContact CE2-CD2 4.39Å; F1186-Y1191 AromaticContact CG-CE2 3.97Å; F1186-Y1191 HydrophobicContact CG-CE2 3.97Å; P1187-Y1191 HydrophobicContact CG-CE1 3.9Å; P1187-Y1191 HydrophobicContact CG-CE2 4.49Å; P1187-Y1191 PolarHBondContact O-N 2.95Å; A1188-Y1191 PolarHBondContact O-N 3.47Å; A1188-Y1191 VanDerWaalsContact O-N 3.16Å; Y1191-Q1193 PolarHBondContact O-N 3.31Å; Y1191-L1194 HydrophobicContact CD1-CD1 4.32Å; Y1191-L1194 VanDerWaalsContact O-CB 3.31Å; Y1191-L1194 WeakPolarHBondContact O-CB 3.4Å; Y1191-L1194 PolarHBondContact O-N 3.49Å; Y1191-L1194 VanDerWaalsContact O-N 3.08Å; Y1191-Y1218 AromaticContact CE2-CD1 3.92Å; Y1191-Y1218 HydrophobicContact CE2-CD1 3.92Å; Y1191-Y1218 HydrophobicContact CE2-CE1 4.07Å; Y1191-F1221 HydrophobicContact CD1-CB 4.32Å; Y1191-F1221 HydrophobicContact CE1-CB 3.83Å; Y1191-N1222 PolarHBondContact OH-OD1 2.87Å
1192I96Very high95.3Very high27 Ų2739.3 Ų39.314%0.13820%0.198CC..Hα-helixtrans-57.3-34.7172-67.9161.9000111.5Y673 T1117 L1129 C1131 A1188 N1190 L1194 F1195Y673-I1192 HydrophobicContact CD2-CD1 3.86Å; Y673-I1192 HydrophobicContact CG-CD1 3.96Å; T1117-I1192 HydrophobicContact CG2-CD1 3.72Å; T1117-I1192 HydrophobicContact CG2-CG1 3.97Å; L1129-I1192 HydrophobicContact CD1-CD1 4.24Å; L1129-I1192 HydrophobicContact CD1-CG1 4.09Å; L1129-I1192 HydrophobicContact CD2-CG1 4.48Å; C1131-I1192 VanDerWaalsContact SG-CG1 3.59Å; A1188-I1192 VanDerWaalsContact O-CG1 3.29Å; A1188-I1192 WeakPolarHBondContact O-CG1 3.42Å; A1188-I1192 PolarHBondContact O-N 3.41Å; N1190-I1192 VanDerWaalsContact C-N 3.28Å; N1190-I1192 PolarHBondContact O-N 3.42Å; I1192-L1194 PolarHBondContact O-N 2.84Å; I1192-F1195 WeakPolarHBondContact O-CB 3.37Å; I1192-F1195 PolarHBondContact O-N 3.38Å
1193Q94.9Very high95.3Very high52 Ų5241.4 Ų41.424%0.24321%0.209CC..THydrogen-bonded Turntrans-70.1-14.4179.3-57.9-52.8-51.700113.9N1190 Y1191 F1195 L1197 Y1230N1190-Q1193 WeakPolarHBondContact O-CB 3.29Å; N1190-Q1193 PolarHBondContact O-N 2.97Å; Y1191-Q1193 PolarHBondContact O-N 3.31Å; Q1193-F1195 VanDerWaalsContact C-N 3.25Å; Q1193-F1195 PolarHBondContact O-N 2.92Å; Q1193-L1197 WeakPolarHBondContact O-CD1 3.47Å; Q1193-Y1230 HydrophobicContact CB-CD1 4.15Å
1194L96.3Very high95.3Very high0 Ų044.3 Ų44.30%022%0.219CC..THydrogen-bonded Turntrans-74.3-18.9176.8-58.7174000112.5I1178 Y1191 I1192 L1197 L1202 F1221 Y1230I1178-L1194 HydrophobicContact CD1-CB 3.74Å; Y1191-L1194 HydrophobicContact CD1-CD1 4.32Å; Y1191-L1194 VanDerWaalsContact O-CB 3.31Å; Y1191-L1194 WeakPolarHBondContact O-CB 3.4Å; Y1191-L1194 PolarHBondContact O-N 3.49Å; Y1191-L1194 VanDerWaalsContact O-N 3.08Å; I1192-L1194 PolarHBondContact O-N 2.84Å; L1194-L1197 WeakPolarHBondContact O-CB 3.4Å; L1194-L1197 PolarHBondContact O-N 2.89Å; L1194-L1202 HydrophobicContact CD2-CD1 4.32Å; L1194-L1202 HydrophobicContact CD2-CD2 3.66Å; L1194-F1221 HydrophobicContact CD1-CD1 3.6Å; L1194-F1221 HydrophobicContact CD1-CD2 4.15Å; L1194-F1221 HydrophobicContact CD1-CE1 3.72Å; L1194-F1221 HydrophobicContact CD1-CE2 4.29Å; L1194-F1221 HydrophobicContact CD1-CG 3.84Å; L1194-F1221 HydrophobicContact CD1-CZ 4.08Å; L1194-F1221 HydrophobicContact CD2-CD1 4.07Å; L1194-F1221 HydrophobicContact CD2-CE1 4.05Å; L1194-Y1230 HydrophobicContact CD2-CE1 3.67Å; L1194-Y1230 HydrophobicContact CG-CE1 3.97Å
1195F95.3Very high95.4Very high18 Ų1839 Ų398%0.07920%0.196CC..THydrogen-bonded Turntrans-61.7141.1-179.8177-93000111.8K1113 S1115 Q1133 Q1176 I1178 I1192 Q1193 L1197K1113-F1195 WeakPolarHBondContact O-CE1 3.47Å; S1115-F1195 VanDerWaalsContact N-CE1 3.32Å; Q1133-F1195 HydrophobicContact CB-CE2 4.17Å; Q1133-F1195 HydrophobicContact CB-CZ 4.07Å; Q1133-F1195 HydrophobicContact CG-CZ 4.4Å; Q1176-F1195 WeakPolarHBondContact O-CE2 3.22Å; I1178-F1195 HydrophobicContact CD1-CB 4.45Å; I1192-F1195 WeakPolarHBondContact O-CB 3.37Å; I1192-F1195 PolarHBondContact O-N 3.38Å; Q1193-F1195 VanDerWaalsContact C-N 3.25Å; Q1193-F1195 PolarHBondContact O-N 2.92Å; F1195-L1197 PolarHBondContact O-N 2.95Å
1196N94Very high95.5Very high62 Ų6232.3 Ų32.333%0.33217%0.166SC..THydrogen-bonded Turntrans59.327.9179.6-159.612.4000114I1175 K1238I1175-N1196 WeakPolarHBondContact O-CA 3.47Å; I1175-N1196 PolarHBondContact O-N 3.02Å; N1196-K1238 PolarHBondContact O-NZ 3.4Å
1197L95.3Very high95.5Very high11 Ų1134.1 Ų34.16%0.05818%0.181CC..  trans-102.5147.6168.1-58.8-173000110.7I1174 I1175 Q1193 L1194 F1195 L1201 L1202 I1229I1174-L1197 WeakPolarHBondContact CA-O 3.49Å; I1175-L1197 PolarHBondContact N-O 3.32Å; Q1193-L1197 WeakPolarHBondContact O-CD1 3.47Å; L1194-L1197 WeakPolarHBondContact O-CB 3.4Å; L1194-L1197 PolarHBondContact O-N 2.89Å; F1195-L1197 PolarHBondContact O-N 2.95Å; L1197-L1201 HydrophobicContact CD1-CD2 4.2Å; L1197-L1201 HydrophobicContact CD2-CD2 4.25Å; L1197-L1202 HydrophobicContact CD1-CD2 4.16Å; L1197-I1229 HydrophobicContact CD1-CG2 3.36Å
1198H95.5Very high95.5Very high72 Ų7237.6 Ų37.633%0.33319%0.192SC..BIsolated β-bridgetrans-79.1136.1174.5-173.3-75.9000109.5Y1172 N1173 S1200 L1201Y1172-H1198 PolarHBondContact O-CD2 2.91Å; N1173-H1198 WeakPolarHBondContact CB-NE2 2.96Å; N1173-H1198 CarbonylContact O-C 3.52Å; N1173-H1198 WeakPolarHBondContact O-CA 3.48Å; H1198-S1200 PolarHBondContact CE1-OG 3.31Å; H1198-S1200 WeakPolarHBondContact ND1-CB 3.28Å; H1198-S1200 PolarHBondContact ND1-N 3.06Å; H1198-S1200 VanDerWaalsContact ND1-N 3.18Å; H1198-S1200 PolarHBondContact ND1-OG 3.38Å; H1198-S1200 PolarHBondContact O-N 2.61Å; H1198-S1200 VanDerWaalsContact O-N 3.1Å; H1198-L1201 WeakPolarHBondContact O-CB 3.16Å; H1198-L1201 PolarHBondContact O-N 3.08Å
1199E95.5Very high95.5Very high22 Ų2239.6 Ų39.610%0.10320%0.199CC..G310 helixtrans-55.2-33.8-17369.779.1-151.800113.7I1169 N1173 L1201 L1202 L1205 V1206I1169-E1199 HydrophobicContact CD1-CB 4.19Å; N1173-E1199 HydrophobicContact CB-CG 3.83Å; N1173-E1199 PolarHBondContact O-N 3.49Å; E1199-L1201 VanDerWaalsContact C-N 3.27Å; E1199-L1201 PolarHBondContact O-N 3.25Å; E1199-L1202 CarbonylContact O-C 3.59Å; E1199-L1202 WeakPolarHBondContact O-CA 2.95Å; E1199-L1202 WeakPolarHBondContact O-CB 3.14Å; E1199-L1202 PolarHBondContact O-N 3.49Å; E1199-L1205 HydrophobicContact CB-CB 4.23Å; E1199-L1205 PolarHBondContact O-N 3.49Å; E1199-L1205 PolarHBondContact OE2-N 3.06Å; E1199-V1206 HydrophobicContact CB-CG2 3.84Å; E1199-V1206 HydrophobicContact CG-CB 4.28Å; E1199-V1206 HydrophobicContact CG-CG2 3.59Å; E1199-V1206 PolarHBondContact OE2-N 3.15Å
1200S94Very high95.5Very high50 Ų5041.2 Ų41.235%0.3521%0.21SC..G310 helixtrans-63.2-29.4178.667.40000113.9H1198 L1202 H1204H1198-S1200 PolarHBondContact CE1-OG 3.31Å; H1198-S1200 WeakPolarHBondContact ND1-CB 3.28Å; H1198-S1200 PolarHBondContact ND1-N 3.06Å; H1198-S1200 VanDerWaalsContact ND1-N 3.18Å; H1198-S1200 PolarHBondContact ND1-OG 3.38Å; H1198-S1200 PolarHBondContact O-N 2.61Å; H1198-S1200 VanDerWaalsContact O-N 3.1Å; S1200-L1202 PolarHBondContact O-N 2.86Å; S1200-H1204 PolarHBondContact O-N 3.11Å
1201L94.7Very high95.5Very high79 Ų7946.9 Ų46.941%0.41424%0.236SC..G310 helixtrans-67.1-29.1173.3178.563.3000110.9L1197 H1198 E1199 N1203 I1229 F1234L1197-L1201 HydrophobicContact CD1-CD2 4.2Å; L1197-L1201 HydrophobicContact CD2-CD2 4.25Å; H1198-L1201 WeakPolarHBondContact O-CB 3.16Å; H1198-L1201 PolarHBondContact O-N 3.08Å; E1199-L1201 VanDerWaalsContact C-N 3.27Å; E1199-L1201 PolarHBondContact O-N 3.25Å; L1201-N1203 PolarHBondContact O-N 2.63Å; L1201-N1203 VanDerWaalsContact O-N 3.08Å; L1201-I1229 HydrophobicContact CG-CD1 4.2Å; L1201-F1234 HydrophobicContact CD1-CZ 4.44Å; L1201-F1234 HydrophobicContact CD2-CE1 4.08Å; L1201-F1234 HydrophobicContact CD2-CZ 4.16Å
1202L96.3Very high95.3Very high0 Ų048.5 Ų48.50%025%0.254CS..THydrogen-bonded Turntrans-87.650.8178.8-54.1178.6000110.1I1175 L1194 L1197 E1199 S1200 H1204 L1205 Y1220 F1221 W1225 I1229I1175-L1202 HydrophobicContact CD1-CD1 3.22Å; I1175-L1202 HydrophobicContact CG1-CD1 4.32Å; L1194-L1202 HydrophobicContact CD2-CD1 4.32Å; L1194-L1202 HydrophobicContact CD2-CD2 3.66Å; L1197-L1202 HydrophobicContact CD1-CD2 4.16Å; E1199-L1202 CarbonylContact O-C 3.59Å; E1199-L1202 WeakPolarHBondContact O-CA 2.95Å; E1199-L1202 WeakPolarHBondContact O-CB 3.14Å; E1199-L1202 PolarHBondContact O-N 3.49Å; S1200-L1202 PolarHBondContact O-N 2.86Å; L1202-H1204 VanDerWaalsContact C-N 3.33Å; L1202-H1204 PolarHBondContact O-N 3.46Å; L1202-L1205 HydrophobicContact CB-CB 4.16Å; L1202-L1205 HydrophobicContact CD1-CD2 4.25Å; L1202-L1205 WeakPolarHBondContact O-CB 3.42Å; L1202-L1205 PolarHBondContact O-N 3.4Å; L1202-L1205 VanDerWaalsContact O-N 3.15Å; L1202-Y1220 PolarHBondContact O-OH 3Å; L1202-F1221 HydrophobicContact CB-CE1 4.48Å; L1202-F1221 HydrophobicContact CD1-CE1 4.3Å; L1202-W1225 HydrophobicContact CB-CH2 4.07Å; L1202-W1225 HydrophobicContact CD2-CH2 4.32Å; L1202-W1225 HydrophobicContact CD2-CZ3 4.38Å; L1202-I1229 HydrophobicContact CD2-CD1 3.62Å
1203N94.3Very high95.3Very high48 Ų4851.9 Ų51.926%0.25727%0.271SS..THydrogen-bonded Turntrans51.346.3176.5-174.622000113.8L1201 L1205 R1208 Y1220 W1225L1201-N1203 PolarHBondContact O-N 2.63Å; L1201-N1203 VanDerWaalsContact O-N 3.08Å; N1203-L1205 VanDerWaalsContact C-N 3.33Å; N1203-L1205 PolarHBondContact O-N 3.4Å; N1203-R1208 PolarHBondContact ND2-NH2 3.37Å; N1203-R1208 WeakPolarHBondContact O-CD 3.37Å; N1203-R1208 PolarHBondContact O-NE 3.4Å; N1203-R1208 VanDerWaalsContact O-NE 3.15Å; N1203-R1208 PolarHBondContact OD1-NE 2.83Å; N1203-R1208 PolarHBondContact OD1-NH2 3.06Å; N1203-R1208 VanDerWaalsContact OD1-NH2 3.12Å; N1203-Y1220 WeakPolarHBondContact CB-OH 3.42Å; N1203-Y1220 PolarHBondContact O-OH 2.9Å; N1203-W1225 HydrophobicContact CB-CD2 4.22Å; N1203-W1225 HydrophobicContact CB-CE3 4.21Å; N1203-W1225 HydrophobicContact CB-CH2 4.14Å; N1203-W1225 HydrophobicContact CB-CZ2 4.13Å; N1203-W1225 HydrophobicContact CB-CZ3 4.18Å
1204H94.3Very high95.3Very high109 Ų10949.9 Ų49.951%0.50526%0.262SS..SBendtrans53.848.3-178.8-58.5-70.6000112.8S1200 L1202 V1206 S1207 R1208S1200-H1204 PolarHBondContact O-N 3.11Å; L1202-H1204 VanDerWaalsContact C-N 3.33Å; L1202-H1204 PolarHBondContact O-N 3.46Å; H1204-V1206 VanDerWaalsContact C-N 3.25Å; H1204-V1206 PolarHBondContact O-N 3.17Å; H1204-V1206 VanDerWaalsContact O-N 3.16Å; H1204-S1207 PolarHBondContact O-N 2.94Å; H1204-R1208 PolarHBondContact O-N 3.31Å
1205L96.1Very high95.1Very high0 Ų057.4 Ų57.40%030%0.297CS..Hα-helixtrans-43.5-48.7-175.4177.164.9000112.8L1153 I1167 I1169 I1175 E1199 L1202 N1203 F1209 I1214 F1217 Y1220 F1221L1153-L1205 HydrophobicContact CD1-CD2 4.31Å; L1153-L1205 HydrophobicContact CD1-CG 4.06Å; I1167-L1205 HydrophobicContact CD1-CD2 4.18Å; I1169-L1205 HydrophobicContact CD1-CD2 4.23Å; I1175-L1205 HydrophobicContact CD1-CD2 4.24Å; E1199-L1205 HydrophobicContact CB-CB 4.23Å; E1199-L1205 PolarHBondContact O-N 3.49Å; E1199-L1205 PolarHBondContact OE2-N 3.06Å; L1202-L1205 HydrophobicContact CB-CB 4.16Å; L1202-L1205 HydrophobicContact CD1-CD2 4.25Å; L1202-L1205 WeakPolarHBondContact O-CB 3.42Å; L1202-L1205 PolarHBondContact O-N 3.4Å; L1202-L1205 VanDerWaalsContact O-N 3.15Å; N1203-L1205 VanDerWaalsContact C-N 3.33Å; N1203-L1205 PolarHBondContact O-N 3.4Å; L1205-F1209 VanDerWaalsContact O-CB 3.26Å; L1205-F1209 WeakPolarHBondContact O-CB 3.37Å; L1205-F1209 PolarHBondContact O-N 2.9Å; L1205-I1214 HydrophobicContact CD1-CD1 3.77Å; L1205-F1217 HydrophobicContact CD1-CD1 4.31Å; L1205-F1217 HydrophobicContact CD1-CE1 3.63Å; L1205-F1217 HydrophobicContact CD1-CZ 4.46Å; L1205-Y1220 HydrophobicContact CD1-CD1 4.2Å; L1205-Y1220 HydrophobicContact CD1-CE1 3.66Å; L1205-F1221 HydrophobicContact CD1-CZ 3.96Å; L1205-F1221 HydrophobicContact CD2-CZ 4.25Å
1206V95.2Very high95Very high17 Ų1757.9 Ų57.910%0.10330%0.301CS..Hα-helixtrans-68-47.9-174.6175.60000111.6L1153 I1169 E1199 H1204 R1208 F1209 D1210L1153-V1206 HydrophobicContact CD1-CG2 4.45Å; I1169-V1206 HydrophobicContact CD1-CG2 3.51Å; E1199-V1206 HydrophobicContact CB-CG2 3.84Å; E1199-V1206 HydrophobicContact CG-CB 4.28Å; E1199-V1206 HydrophobicContact CG-CG2 3.59Å; E1199-V1206 PolarHBondContact OE2-N 3.15Å; H1204-V1206 VanDerWaalsContact C-N 3.25Å; H1204-V1206 PolarHBondContact O-N 3.17Å; H1204-V1206 VanDerWaalsContact O-N 3.16Å; V1206-R1208 PolarHBondContact O-N 2.82Å; V1206-F1209 PolarHBondContact O-N 2.95Å; V1206-D1210 VanDerWaalsContact O-CG 3.3Å; V1206-D1210 PolarHBondContact O-N 3.14Å
1207S95.3Very high95.2Very high57 Ų5755 Ų5540%0.39929%0.285SS..Hα-helixtrans-61.3-46.6179.6-1620000111.1H1204 F1209 D1210 E1211H1204-S1207 PolarHBondContact O-N 2.94Å; S1207-F1209 VanDerWaalsContact C-N 3.33Å; S1207-F1209 PolarHBondContact O-N 3.39Å; S1207-D1210 PolarHBondContact O-N 3.3Å; S1207-E1211 WeakPolarHBondContact O-CB 3.49Å; S1207-E1211 VanDerWaalsContact O-CG 3.25Å; S1207-E1211 WeakPolarHBondContact O-CG 3.1Å; S1207-E1211 PolarHBondContact O-N 3.19Å; S1207-E1211 PolarHBondContact OG-OE1 2.82Å
1208R96.1Very high95.2Very high91 Ų9155.1 Ų55.134%0.34329%0.285SS..Hα-helixtrans-65.7-36.4-179.8-73.6-172.3176.7-110.82112.5N1203 H1204 V1206 G1212 L1213 I1214N1203-R1208 PolarHBondContact ND2-NH2 3.37Å; N1203-R1208 WeakPolarHBondContact O-CD 3.37Å; N1203-R1208 PolarHBondContact O-NE 3.4Å; N1203-R1208 VanDerWaalsContact O-NE 3.15Å; N1203-R1208 PolarHBondContact OD1-NE 2.83Å; N1203-R1208 PolarHBondContact OD1-NH2 3.06Å; N1203-R1208 VanDerWaalsContact OD1-NH2 3.12Å; H1204-R1208 PolarHBondContact O-N 3.31Å; V1206-R1208 PolarHBondContact O-N 2.82Å; R1208-G1212 PolarHBondContact O-N 3.42Å; R1208-L1213 HydrophobicContact CB-CB 4.25Å; R1208-L1213 HydrophobicContact CB-CD1 4.43Å; R1208-L1213 HydrophobicContact CG-CD1 4.17Å; R1208-L1213 WeakPolarHBondContact O-CB 3.45Å; R1208-L1213 PolarHBondContact O-N 3.03Å; R1208-I1214 HydrophobicContact CB-CD1 3.78Å; R1208-I1214 HydrophobicContact CB-CG1 3.93Å
1209F96.7Very high95.1Very high48 Ų4857.4 Ų57.421%0.21130%0.3CS..Hα-helixtrans-63.9-46.9174.4-173.4-89000111L1153 V1154 T1155 L1205 V1206 S1207 E1211 G1212 I1214 F1217L1153-F1209 HydrophobicContact CB-CD2 4.34Å; L1153-F1209 HydrophobicContact CB-CE1 4.36Å; L1153-F1209 HydrophobicContact CB-CE2 4.19Å; L1153-F1209 HydrophobicContact CB-CG 4.5Å; L1153-F1209 HydrophobicContact CB-CZ 4.19Å; L1153-F1209 HydrophobicContact CD1-CB 4.34Å; L1153-F1209 HydrophobicContact CD1-CG 4.25Å; L1153-F1209 HydrophobicContact CD2-CD1 3.79Å; L1153-F1209 HydrophobicContact CD2-CE1 4.03Å; L1153-F1209 HydrophobicContact CD2-CG 4.24Å; V1154-F1209 WeakPolarHBondContact O-CZ 3.26Å; T1155-F1209 HydrophobicContact CG2-CE2 3.89Å; L1205-F1209 VanDerWaalsContact O-CB 3.26Å; L1205-F1209 WeakPolarHBondContact O-CB 3.37Å; L1205-F1209 PolarHBondContact O-N 2.9Å; V1206-F1209 PolarHBondContact O-N 2.95Å; S1207-F1209 VanDerWaalsContact C-N 3.33Å; S1207-F1209 PolarHBondContact O-N 3.39Å; F1209-E1211 VanDerWaalsContact C-N 3.31Å; F1209-E1211 PolarHBondContact O-N 3.5Å; F1209-G1212 WeakPolarHBondContact O-CA 3.36Å; F1209-G1212 PolarHBondContact O-N 2.98Å; F1209-I1214 HydrophobicContact CB-CD1 4.3Å; F1209-I1214 HydrophobicContact CD2-CB 4.29Å; F1209-F1217 HydrophobicContact CD2-CE1 4.01Å; F1209-F1217 HydrophobicContact CD2-CE2 4.49Å; F1209-F1217 AromaticContact CD2-CZ 3.58Å; F1209-F1217 HydrophobicContact CD2-CZ 3.58Å; F1209-F1217 HydrophobicContact CE2-CE1 4.46Å; F1209-F1217 HydrophobicContact CE2-CE2 4.2Å; F1209-F1217 AromaticContact CE2-CZ 3.72Å; F1209-F1217 HydrophobicContact CE2-CZ 3.72Å
1210D95.4Very high95.2Very high98 Ų9857.6 Ų57.652%0.52430%0.299SS..Hα-helixtrans-64.5-34.7178.5-68.8-15.8000113.1R1151 V1206 S1207 G1212R1151-D1210 IonicContact CZ-OD1 2.83Å; R1151-D1210 IonicContact CZ-OD2 3.6Å; R1151-D1210 IonicContact NH1-OD1 2.7Å; R1151-D1210 PolarHBondContact NH1-OD1 2.9Å; R1151-D1210 IonicContact NH1-OD2 2.87Å; R1151-D1210 PolarHBondContact NH1-OD2 3Å; R1151-D1210 IonicContact NH2-OD1 3.78Å; R1151-D1210 PolarHBondContact NH2-OD1 3.27Å; V1206-D1210 VanDerWaalsContact O-CG 3.3Å; V1206-D1210 PolarHBondContact O-N 3.14Å; S1207-D1210 PolarHBondContact O-N 3.3Å; D1210-G1212 PolarHBondContact O-N 2.81Å
1211E96.4Very high95.3Very high123 Ų12355.2 Ų55.258%0.57528%0.283SS*.THydrogen-bonded Turntrans-73.1-3.5173.8-70.9166.3-144.800112.8S1207 F1209 L1213S1207-E1211 WeakPolarHBondContact O-CB 3.49Å; S1207-E1211 VanDerWaalsContact O-CG 3.25Å; S1207-E1211 WeakPolarHBondContact O-CG 3.1Å; S1207-E1211 PolarHBondContact O-N 3.19Å; S1207-E1211 PolarHBondContact OG-OE1 2.82Å; F1209-E1211 VanDerWaalsContact C-N 3.31Å; F1209-E1211 PolarHBondContact O-N 3.5Å; E1211-L1213 VanDerWaalsContact C-N 3.28Å; E1211-L1213 HydrophobicContact CB-CD1 4.15Å; E1211-L1213 HydrophobicContact CB-CG 3.97Å; E1211-L1213 PolarHBondContact O-N 3.42Å; E1211-L1213 WeakPolarHBondContact OE2-CD1 3.29Å
1212G94Very high95.3Very high35 Ų3553.7 Ų53.736%0.36128%0.275SS..THydrogen-bonded Turntrans70.421.5-178.700000113.7R1208 F1209 D1210 I1214 H1215R1208-G1212 PolarHBondContact O-N 3.42Å; F1209-G1212 WeakPolarHBondContact O-CA 3.36Å; F1209-G1212 PolarHBondContact O-N 2.98Å; D1210-G1212 PolarHBondContact O-N 2.81Å; G1212-I1214 VanDerWaalsContact C-N 3.33Å; G1212-H1215 PolarHBondContact O-CE1 3.21Å; G1212-H1215 PolarHBondContact O-NE2 2.91Å
1213L95.4Very high95.1Very high97 Ų9757.6 Ų57.651%0.50830%0.296SS..  trans-83.7-10.6178.6-60.1176.1000113R1208 E1211R1208-L1213 HydrophobicContact CB-CB 4.25Å; R1208-L1213 HydrophobicContact CB-CD1 4.43Å; R1208-L1213 HydrophobicContact CG-CD1 4.17Å; R1208-L1213 WeakPolarHBondContact O-CB 3.45Å; R1208-L1213 PolarHBondContact O-N 3.03Å; E1211-L1213 VanDerWaalsContact C-N 3.28Å; E1211-L1213 HydrophobicContact CB-CD1 4.15Å; E1211-L1213 HydrophobicContact CB-CG 3.97Å; E1211-L1213 PolarHBondContact O-N 3.42Å; E1211-L1213 WeakPolarHBondContact OE2-CD1 3.29Å
1214I95.1Very high95Very high11 Ų1157.9 Ų57.96%0.05630%0.299CS..  trans-115.9106.4178.7-54178.3000108L1205 R1208 F1209 G1212 F1217 Y1220L1205-I1214 HydrophobicContact CD1-CD1 3.77Å; R1208-I1214 HydrophobicContact CB-CD1 3.78Å; R1208-I1214 HydrophobicContact CB-CG1 3.93Å; F1209-I1214 HydrophobicContact CB-CD1 4.3Å; F1209-I1214 HydrophobicContact CD2-CB 4.29Å; G1212-I1214 VanDerWaalsContact C-N 3.33Å; I1214-F1217 HydrophobicContact CD1-CE1 4.41Å; I1214-F1217 HydrophobicContact CG2-CD1 3.67Å; I1214-F1217 HydrophobicContact CG2-CE1 3.68Å; I1214-Y1220 HydrophobicContact CD1-CD1 4.31Å; I1214-Y1220 HydrophobicContact CD1-CD2 3.8Å; I1214-Y1220 HydrophobicContact CD1-CE1 4.06Å; I1214-Y1220 HydrophobicContact CD1-CE2 3.51Å; I1214-Y1220 HydrophobicContact CD1-CG 4.18Å; I1214-Y1220 HydrophobicContact CG1-CD2 3.75Å; I1214-Y1220 HydrophobicContact CG1-CE2 3.77Å; I1214-Y1220 HydrophobicContact CG1-CG 4.37Å; I1214-Y1220 HydrophobicContact CG2-CD2 4.26Å; I1214-Y1220 HydrophobicContact CG2-CG 4.14Å
1215H92.3Very high94.9Very high158 Ų15855.3 Ų55.373%0.73129%0.285SS*.SBendtrans-95.8-30.1177.7-58.9-58000112.5G1212G1212-H1215 PolarHBondContact O-CE1 3.21Å; G1212-H1215 PolarHBondContact O-NE2 2.91Å
1216D94.2Very high94.8Very high28 Ų2855.3 Ų55.315%0.1529%0.285CS..  trans-141.8125.7-179.8174.324.3000109.8Y1218 D1219 Y1220D1216-Y1218 VanDerWaalsContact OD1-CD2 3.27Å; D1216-Y1218 WeakPolarHBondContact OD1-CD2 3.48Å; D1216-Y1218 PolarHBondContact OD1-N 2.91Å; D1216-D1219 HydrophobicContact CB-CB 4.29Å; D1216-D1219 PolarHBondContact OD2-N 2.74Å; D1216-D1219 VanDerWaalsContact OD2-N 3.14Å; D1216-Y1220 WeakPolarHBondContact O-CB 3.46Å; D1216-Y1220 PolarHBondContact O-N 3.13Å; D1216-Y1220 VanDerWaalsContact O-N 3.12Å
1217F97.2Very high94.8Very high0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-71.8-28.8175.8-76.3-43.6000113.3L1153 T1155 F1165 I1167 L1205 F1209 I1214 Y1220 F1221L1153-F1217 HydrophobicContact CB-CE2 3.9Å; L1153-F1217 HydrophobicContact CB-CZ 3.64Å; L1153-F1217 HydrophobicContact CD1-CZ 4.12Å; T1155-F1217 HydrophobicContact CG2-CD1 4.49Å; T1155-F1217 HydrophobicContact CG2-CD2 3.69Å; T1155-F1217 HydrophobicContact CG2-CE2 3.81Å; T1155-F1217 HydrophobicContact CG2-CG 4.04Å; T1155-F1217 HydrophobicContact CG2-CZ 4.24Å; T1155-F1217 WeakPolarHBondContact OG1-CD2 3.17Å; T1155-F1217 PolarHBondContact OG1-N 3.46Å; F1165-F1217 HydrophobicContact CB-CB 3.9Å; F1165-F1217 HydrophobicContact CB-CD2 4.08Å; F1165-F1217 HydrophobicContact CD1-CB 3.77Å; F1165-F1217 AromaticContact CD1-CD2 3.7Å; F1165-F1217 HydrophobicContact CD1-CD2 3.7Å; F1165-F1217 HydrophobicContact CD1-CG 4.07Å; F1165-F1217 HydrophobicContact CD2-CB 3.56Å; F1165-F1217 HydrophobicContact CE1-CB 4.17Å; F1165-F1217 HydrophobicContact CE1-CD2 4.42Å; F1165-F1217 HydrophobicContact CE2-CB 3.96Å; F1165-F1217 HydrophobicContact CG-CB 3.47Å; F1165-F1217 VanDerWaalsContact CG-CB 3.47Å; F1165-F1217 HydrophobicContact CG-CD2 4Å; F1165-F1217 HydrophobicContact CG-CG 4.19Å; F1165-F1217 HydrophobicContact CZ-CB 4.27Å; I1167-F1217 HydrophobicContact CG1-CE2 4.48Å; L1205-F1217 HydrophobicContact CD1-CD1 4.31Å; L1205-F1217 HydrophobicContact CD1-CE1 3.63Å; L1205-F1217 HydrophobicContact CD1-CZ 4.46Å; F1209-F1217 HydrophobicContact CD2-CE1 4.01Å; F1209-F1217 HydrophobicContact CD2-CE2 4.49Å; F1209-F1217 AromaticContact CD2-CZ 3.58Å; F1209-F1217 HydrophobicContact CD2-CZ 3.58Å; F1209-F1217 HydrophobicContact CE2-CE1 4.46Å; F1209-F1217 HydrophobicContact CE2-CE2 4.2Å; F1209-F1217 AromaticContact CE2-CZ 3.72Å; F1209-F1217 HydrophobicContact CE2-CZ 3.72Å; I1214-F1217 HydrophobicContact CD1-CE1 4.41Å; I1214-F1217 HydrophobicContact CG2-CD1 3.67Å; I1214-F1217 HydrophobicContact CG2-CE1 3.68Å; F1217-Y1220 PolarHBondContact O-N 3.49Å; F1217-F1221 HydrophobicContact CB-CD2 4.03Å; F1217-F1221 HydrophobicContact CB-CE2 4.09Å; F1217-F1221 HydrophobicContact CD1-CD2 4.38Å; F1217-F1221 AromaticContact CD1-CE2 3.73Å; F1217-F1221 HydrophobicContact CD1-CE2 3.73Å; F1217-F1221 HydrophobicContact CE1-CE2 4.49Å; F1217-F1221 HydrophobicContact CG-CE2 4.08Å; F1217-F1221 WeakPolarHBondContact O-CB 3.3Å; F1217-F1221 WeakPolarHBondContact O-CD2 3.33Å; F1217-F1221 PolarHBondContact O-N 3.14Å
1218Y95.8Very high94.8Very high14 Ų1452.2 Ų52.26%0.05527%0.265CS..Hα-helixtrans-62.5-51.2176.8-64.3-76.3000110.1Q1163 Y1164 F1165 C1180 L1181 F1186 Y1191 D1216 Y1220 N1222Q1163-Y1218 HydrophobicContact CB-CD2 4.47Å; Q1163-Y1218 HydrophobicContact CB-CE2 4.19Å; Y1164-Y1218 PolarHBondContact O-OH 3.46Å; F1165-Y1218 HydrophobicContact CB-CD2 4.43Å; F1165-Y1218 HydrophobicContact CB-CE2 3.87Å; F1165-Y1218 AromaticContact CD2-CD1 3.81Å; F1165-Y1218 HydrophobicContact CD2-CD1 3.81Å; F1165-Y1218 HydrophobicContact CD2-CD2 4.17Å; F1165-Y1218 AromaticContact CD2-CE1 3.66Å; F1165-Y1218 HydrophobicContact CD2-CE1 3.66Å; F1165-Y1218 HydrophobicContact CD2-CE2 4.01Å; F1165-Y1218 HydrophobicContact CD2-CG 4.06Å; F1165-Y1218 AromaticContact CD2-CZ 3.75Å; F1165-Y1218 HydrophobicContact CE2-CD1 4.21Å; F1165-Y1218 HydrophobicContact CE2-CE1 4.21Å; F1165-Y1218 HydrophobicContact CG-CE2 4.46Å; C1180-Y1218 HydrophobicContact CB-CE1 4.34Å; C1180-Y1218 WeakPolarHBondContact CB-OH 3.43Å; L1181-Y1218 PolarHBondContact N-OH 2.93Å; L1181-Y1218 PolarHBondContact O-OH 2.81Å; F1186-Y1218 HydrophobicContact CB-CD1 4.01Å; F1186-Y1218 HydrophobicContact CB-CE1 3.93Å; F1186-Y1218 AromaticContact CD1-CE1 3.63Å; F1186-Y1218 HydrophobicContact CD1-CE1 3.63Å; F1186-Y1218 HydrophobicContact CE1-CE1 4.28Å; F1186-Y1218 HydrophobicContact CG-CD1 4.38Å; F1186-Y1218 AromaticContact CG-CE1 3.79Å; F1186-Y1218 HydrophobicContact CG-CE1 3.79Å; Y1191-Y1218 AromaticContact CE2-CD1 3.92Å; Y1191-Y1218 HydrophobicContact CE2-CD1 3.92Å; Y1191-Y1218 HydrophobicContact CE2-CE1 4.07Å; D1216-Y1218 VanDerWaalsContact OD1-CD2 3.27Å; D1216-Y1218 WeakPolarHBondContact OD1-CD2 3.48Å; D1216-Y1218 PolarHBondContact OD1-N 2.91Å; Y1218-Y1220 PolarHBondContact O-N 3.01Å; Y1218-N1222 WeakPolarHBondContact O-CB 3.27Å; Y1218-N1222 PolarHBondContact O-N 2.93Å; Y1218-N1222 PolarHBondContact O-ND2 3.44Å; Y1218-N1222 VanDerWaalsContact O-ND2 3.08Å
1219D93.7Very high94.8Very high121 Ų12148.4 Ų48.465%0.64725%0.251SS*.Hα-helixtrans-59-44.9173.6-78.9-15000112.7D1216 F1221 N1222 D1223D1216-D1219 HydrophobicContact CB-CB 4.29Å; D1216-D1219 PolarHBondContact OD2-N 2.74Å; D1216-D1219 VanDerWaalsContact OD2-N 3.14Å; D1219-F1221 PolarHBondContact O-N 3.47Å; D1219-N1222 PolarHBondContact O-N 3.4Å; D1219-D1223 PolarHBondContact O-N 2.95Å
1220Y96.3Very high94.8Very high25 Ų2546.5 Ų46.510%0.09824%0.243CC..Hα-helixtrans-61.3-43.9-178-176.6-100000113.4L1202 N1203 L1205 I1214 D1216 F1217 Y1218 W1225L1202-Y1220 PolarHBondContact O-OH 3Å; N1203-Y1220 WeakPolarHBondContact CB-OH 3.42Å; N1203-Y1220 PolarHBondContact O-OH 2.9Å; L1205-Y1220 HydrophobicContact CD1-CD1 4.2Å; L1205-Y1220 HydrophobicContact CD1-CE1 3.66Å; I1214-Y1220 HydrophobicContact CD1-CD1 4.31Å; I1214-Y1220 HydrophobicContact CD1-CD2 3.8Å; I1214-Y1220 HydrophobicContact CD1-CE1 4.06Å; I1214-Y1220 HydrophobicContact CD1-CE2 3.51Å; I1214-Y1220 HydrophobicContact CD1-CG 4.18Å; I1214-Y1220 HydrophobicContact CG1-CD2 3.75Å; I1214-Y1220 HydrophobicContact CG1-CE2 3.77Å; I1214-Y1220 HydrophobicContact CG1-CG 4.37Å; I1214-Y1220 HydrophobicContact CG2-CD2 4.26Å; I1214-Y1220 HydrophobicContact CG2-CG 4.14Å; D1216-Y1220 WeakPolarHBondContact O-CB 3.46Å; D1216-Y1220 PolarHBondContact O-N 3.13Å; D1216-Y1220 VanDerWaalsContact O-N 3.12Å; F1217-Y1220 PolarHBondContact O-N 3.49Å; Y1218-Y1220 PolarHBondContact O-N 3.01Å; Y1220-W1225 HydrophobicContact CD1-CZ2 4.07Å; Y1220-W1225 HydrophobicContact CE1-CH2 4.12Å; Y1220-W1225 AromaticContact CE1-CZ2 3.54Å; Y1220-W1225 HydrophobicContact CE1-CZ2 3.54Å; Y1220-W1225 AromaticContact CZ-CZ2 3.83Å
1221F96.6Very high94.8Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-85.6-17.1-178.5-73.7-60.3000113.8F1165 I1167 Y1191 L1194 L1202 L1205 F1217 D1219 D1223 W1225 S1226 Y1230F1165-F1221 HydrophobicContact CE1-CE2 4.44Å; F1165-F1221 HydrophobicContact CE2-CD2 4.22Å; F1165-F1221 AromaticContact CZ-CD2 3.91Å; F1165-F1221 HydrophobicContact CZ-CD2 3.91Å; F1165-F1221 HydrophobicContact CZ-CE2 4.2Å; I1167-F1221 HydrophobicContact CD1-CE2 3.39Å; I1167-F1221 HydrophobicContact CD1-CZ 3.58Å; Y1191-F1221 HydrophobicContact CD1-CB 4.32Å; Y1191-F1221 HydrophobicContact CE1-CB 3.83Å; L1194-F1221 HydrophobicContact CD1-CD1 3.6Å; L1194-F1221 HydrophobicContact CD1-CD2 4.15Å; L1194-F1221 HydrophobicContact CD1-CE1 3.72Å; L1194-F1221 HydrophobicContact CD1-CE2 4.29Å; L1194-F1221 HydrophobicContact CD1-CG 3.84Å; L1194-F1221 HydrophobicContact CD1-CZ 4.08Å; L1194-F1221 HydrophobicContact CD2-CD1 4.07Å; L1194-F1221 HydrophobicContact CD2-CE1 4.05Å; L1202-F1221 HydrophobicContact CB-CE1 4.48Å; L1202-F1221 HydrophobicContact CD1-CE1 4.3Å; L1205-F1221 HydrophobicContact CD1-CZ 3.96Å; L1205-F1221 HydrophobicContact CD2-CZ 4.25Å; F1217-F1221 HydrophobicContact CB-CD2 4.03Å; F1217-F1221 HydrophobicContact CB-CE2 4.09Å; F1217-F1221 HydrophobicContact CD1-CD2 4.38Å; F1217-F1221 AromaticContact CD1-CE2 3.73Å; F1217-F1221 HydrophobicContact CD1-CE2 3.73Å; F1217-F1221 HydrophobicContact CE1-CE2 4.49Å; F1217-F1221 HydrophobicContact CG-CE2 4.08Å; F1217-F1221 WeakPolarHBondContact O-CB 3.3Å; F1217-F1221 WeakPolarHBondContact O-CD2 3.33Å; F1217-F1221 PolarHBondContact O-N 3.14Å; D1219-F1221 PolarHBondContact O-N 3.47Å; F1221-D1223 VanDerWaalsContact C-N 3.27Å; F1221-W1225 HydrophobicContact CD1-CH2 4.44Å; F1221-W1225 HydrophobicContact CD1-CZ2 4.47Å; F1221-W1225 HydrophobicContact CE1-CH2 4.38Å; F1221-S1226 PolarHBondContact O-OG 2.99Å; F1221-Y1230 WeakPolarHBondContact CB-OH 3.39Å; F1221-Y1230 PolarHBondContact O-OH 3.33Å
1222N94.1Very high94.6Very high47 Ų4737.7 Ų37.725%0.25120%0.2SC..Hα-helixtrans-80.3-6.7170.5-71.4-18.6000112.9P575 Y1191 Y1218 D1219P575-N1222 WeakPolarHBondContact CG-O 3.48Å; Y1191-N1222 PolarHBondContact OH-OD1 2.87Å; Y1218-N1222 WeakPolarHBondContact O-CB 3.27Å; Y1218-N1222 PolarHBondContact O-N 2.93Å; Y1218-N1222 PolarHBondContact O-ND2 3.44Å; Y1218-N1222 VanDerWaalsContact O-ND2 3.08Å; D1219-N1222 PolarHBondContact O-N 3.4Å
1223D92.4Very high94.6Very high82 Ų8237 Ų3744%0.43919%0.186SC..SBendtrans-69.5150.3174.4-167.611.2000112.2D1219 F1221 W1225 S1226D1219-D1223 PolarHBondContact O-N 2.95Å; F1221-D1223 VanDerWaalsContact C-N 3.27Å; D1223-W1225 VanDerWaalsContact C-N 3.26Å; D1223-W1225 PolarHBondContact O-N 3.44Å; D1223-W1225 VanDerWaalsContact O-N 3.13Å; D1223-W1225 VanDerWaalsContact OD2-CD1 3.26Å; D1223-S1226 PolarHBondContact O-N 3.2Å; D1223-S1226 PolarHBondContact O-OG 2.74Å
1224T92.3Very high94.6Very high54 Ų5433.3 Ų33.333%0.33117%0.166SC..G310 helixtrans-63-23.1-168.656.10000115.1L578 S1226 L1227 Y1309L578-T1224 HydrophobicContact CD1-CG2 4.06Å; L578-T1224 HydrophobicContact CD2-CG2 4.27Å; T1224-S1226 PolarHBondContact O-N 3.13Å; T1224-L1227 PolarHBondContact O-N 3.2Å; T1224-Y1309 PolarHBondContact O-OH 3.45Å
1225W92.4Very high94.4Very high55 Ų5536.1 Ų36.121%0.20818%0.184CC..G310 helixtrans-65.7-25.7-179.468.5-95.6000112.8L1202 N1203 Y1220 F1221 D1223 I1229 Y1309L1202-W1225 HydrophobicContact CB-CH2 4.07Å; L1202-W1225 HydrophobicContact CD2-CH2 4.32Å; L1202-W1225 HydrophobicContact CD2-CZ3 4.38Å; N1203-W1225 HydrophobicContact CB-CD2 4.22Å; N1203-W1225 HydrophobicContact CB-CE3 4.21Å; N1203-W1225 HydrophobicContact CB-CH2 4.14Å; N1203-W1225 HydrophobicContact CB-CZ2 4.13Å; N1203-W1225 HydrophobicContact CB-CZ3 4.18Å; Y1220-W1225 HydrophobicContact CD1-CZ2 4.07Å; Y1220-W1225 HydrophobicContact CE1-CH2 4.12Å; Y1220-W1225 AromaticContact CE1-CZ2 3.54Å; Y1220-W1225 HydrophobicContact CE1-CZ2 3.54Å; Y1220-W1225 AromaticContact CZ-CZ2 3.83Å; F1221-W1225 HydrophobicContact CD1-CH2 4.44Å; F1221-W1225 HydrophobicContact CD1-CZ2 4.47Å; F1221-W1225 HydrophobicContact CE1-CH2 4.38Å; D1223-W1225 VanDerWaalsContact C-N 3.26Å; D1223-W1225 PolarHBondContact O-N 3.44Å; D1223-W1225 VanDerWaalsContact O-N 3.13Å; D1223-W1225 VanDerWaalsContact OD2-CD1 3.26Å; W1225-I1229 HydrophobicContact CE3-CD1 4.46Å; W1225-I1229 HydrophobicContact CZ3-CD1 3.82Å; W1225-Y1309 PolarHBondContact O-OH 3.41Å
1226S95Very high94.4Very high0 Ų033.5 Ų33.50%018%0.175CC..G310 helixtrans-81-19.4-176.568.20000113.1F1221 D1223 T1224 A1228 I1229 Y1230F1221-S1226 PolarHBondContact O-OG 2.99Å; D1223-S1226 PolarHBondContact O-N 3.2Å; D1223-S1226 PolarHBondContact O-OG 2.74Å; T1224-S1226 PolarHBondContact O-N 3.13Å; S1226-A1228 VanDerWaalsContact C-N 3.29Å; S1226-A1228 PolarHBondContact O-N 3.46Å; S1226-I1229 WeakPolarHBondContact O-CA 3.33Å; S1226-I1229 WeakPolarHBondContact O-CB 3.41Å; S1226-I1229 PolarHBondContact O-N 2.82Å; S1226-Y1230 PolarHBondContact O-N 3.01Å; S1226-Y1230 WeakPolarHBondContact OG-CE2 3.16Å; S1226-Y1230 PolarHBondContact OG-OH 3.36Å
1227L95Very high94.4Very high1 Ų133.1 Ų33.11%0.00517%0.172CC..Hα-helixtrans-61.8-32.2-170.5-60.4178.2000114I572 Y574 L578 T1224 I1229 Y1230 H1231 L1306 M1308 Y1309I572-L1227 WeakPolarHBondContact CD1-O 3.24Å; I572-L1227 HydrophobicContact CG2-CD2 3.92Å; Y574-L1227 HydrophobicContact CD1-CD1 4.03Å; Y574-L1227 HydrophobicContact CE1-CD1 4.27Å; L578-L1227 HydrophobicContact CD2-CD1 3.56Å; T1224-L1227 PolarHBondContact O-N 3.2Å; L1227-I1229 PolarHBondContact O-N 2.84Å; L1227-Y1230 HydrophobicContact CD2-CD2 3.94Å; L1227-Y1230 HydrophobicContact CD2-CE2 4.29Å; L1227-Y1230 PolarHBondContact O-N 3.15Å; L1227-H1231 PolarHBondContact O-N 3.27Å; L1227-L1306 HydrophobicContact CB-CD2 4.48Å; L1227-M1308 HydrophobicContact CD1-CE 3.71Å; L1227-M1308 HydrophobicContact CD1-CG 4.17Å; L1227-M1308 HydrophobicContact CD1-SD 4.05Å; L1227-Y1309 HydrophobicContact CB-CE2 4.38Å; L1227-Y1309 PolarHBondContact N-OH 2.9Å
1228A94.4Very high94.2Very high8 Ų837.9 Ų37.97%0.06619%0.193CC..Hα-helixtrans-64.3-29.4173.600000112.5S1226 H1231 F1234 L1306 Y1309S1226-A1228 VanDerWaalsContact C-N 3.29Å; S1226-A1228 PolarHBondContact O-N 3.46Å; A1228-H1231 WeakPolarHBondContact O-CB 3.31Å; A1228-F1234 WeakPolarHBondContact O-CB 3.49Å; A1228-F1234 WeakPolarHBondContact O-CD2 3.27Å; A1228-F1234 WeakPolarHBondContact O-CG 3.46Å; A1228-L1306 HydrophobicContact CB-CD1 4.16Å; A1228-L1306 HydrophobicContact CB-CD2 4.46Å; A1228-Y1309 HydrophobicContact CB-CE1 4.09Å; A1228-Y1309 HydrophobicContact CB-CE2 3.96Å; A1228-Y1309 VanDerWaalsContact CB-OH 3.23Å; A1228-Y1309 WeakPolarHBondContact CB-OH 3.33Å; A1228-Y1309 PolarHBondContact N-OH 2.98Å
1229I95.6Very high93.9Very high12 Ų1240.7 Ų40.76%0.06222%0.215CC..Hα-helixtrans-73.2-35.7176.4-55.4179.5000110.2L1197 L1201 L1202 W1225 S1226 L1227 H1231 F1234L1197-I1229 HydrophobicContact CD1-CG2 3.36Å; L1201-I1229 HydrophobicContact CG-CD1 4.2Å; L1202-I1229 HydrophobicContact CD2-CD1 3.62Å; W1225-I1229 HydrophobicContact CE3-CD1 4.46Å; W1225-I1229 HydrophobicContact CZ3-CD1 3.82Å; S1226-I1229 WeakPolarHBondContact O-CA 3.33Å; S1226-I1229 WeakPolarHBondContact O-CB 3.41Å; S1226-I1229 PolarHBondContact O-N 2.82Å; L1227-I1229 PolarHBondContact O-N 2.84Å; I1229-H1231 PolarHBondContact O-N 3.08Å; I1229-F1234 HydrophobicContact CB-CE1 4.45Å; I1229-F1234 HydrophobicContact CG1-CE1 4.36Å; I1229-F1234 HydrophobicContact CG1-CZ 4.18Å; I1229-F1234 HydrophobicContact CG2-CD1 4.31Å; I1229-F1234 HydrophobicContact CG2-CE1 4.17Å
1230Y96.6Very high93.8Very high7 Ų739.4 Ų39.43%0.02721%0.205CC..Hα-helixtrans-74.9-11.8177.9-53.8-32.1000113.7N1190 Q1193 L1194 F1221 S1226 L1227N1190-Y1230 HydrophobicContact CB-CD1 3.83Å; N1190-Y1230 HydrophobicContact CB-CD2 3.62Å; N1190-Y1230 HydrophobicContact CB-CE1 3.93Å; N1190-Y1230 HydrophobicContact CB-CE2 3.75Å; N1190-Y1230 HydrophobicContact CB-CG 3.68Å; N1190-Y1230 WeakPolarHBondContact ND2-CD2 3.33Å; N1190-Y1230 WeakPolarHBondContact O-CD1 3.33Å; N1190-Y1230 WeakPolarHBondContact O-CE1 3.48Å; Q1193-Y1230 HydrophobicContact CB-CD1 4.15Å; L1194-Y1230 HydrophobicContact CD2-CE1 3.67Å; L1194-Y1230 HydrophobicContact CG-CE1 3.97Å; F1221-Y1230 WeakPolarHBondContact CB-OH 3.39Å; F1221-Y1230 PolarHBondContact O-OH 3.33Å; S1226-Y1230 PolarHBondContact O-N 3.01Å; S1226-Y1230 WeakPolarHBondContact OG-CE2 3.16Å; S1226-Y1230 PolarHBondContact OG-OH 3.36Å; L1227-Y1230 HydrophobicContact CD2-CD2 3.94Å; L1227-Y1230 HydrophobicContact CD2-CE2 4.29Å; L1227-Y1230 PolarHBondContact O-N 3.15Å
1231H95.6Very high93.6Very high3 Ų339.2 Ų39.21%0.01421%0.205CC..SBendtrans-67.3132.8179.1-164.2-58.4000111.1I572 L1227 A1228 I1229 R1233 F1234 F1298I572-H1231 HydrophobicContact CD1-CB 4.02Å; L1227-H1231 PolarHBondContact O-N 3.27Å; A1228-H1231 WeakPolarHBondContact O-CB 3.31Å; I1229-H1231 PolarHBondContact O-N 3.08Å; H1231-R1233 VanDerWaalsContact C-N 3.31Å; H1231-R1233 PolarHBondContact ND1-N 3.22Å; H1231-R1233 PolarHBondContact O-N 2.91Å; H1231-F1234 WeakPolarHBondContact O-CB 3.13Å; H1231-F1234 PolarHBondContact O-N 2.88Å; H1231-F1298 HydrophobicContact CB-CZ 4.24Å
1232D93.3Very high93.2Very high34 Ų3448 Ų4818%0.18224%0.238CC..THydrogen-bonded Turntrans-54.2-40.1-176.469.7-30.6000114.3R569 K570 F1234 T1235R569-D1232 WeakPolarHBondContact CD-OD2 3.44Å; R569-D1232 WeakPolarHBondContact CG-OD2 3.16Å; R569-D1232 IonicContact CZ-OD2 3.6Å; R569-D1232 IonicContact NE-OD2 3.72Å; R569-D1232 IonicContact NH1-OD1 2.84Å; R569-D1232 IonicContact NH1-OD2 3.3Å; R569-D1232 PolarHBondContact NH1-OD2 3.02Å; K570-D1232 HydrophobicContact CB-CB 4.26Å; D1232-F1234 VanDerWaalsContact C-N 3.27Å; D1232-F1234 PolarHBondContact O-N 3.45Å; D1232-T1235 PolarHBondContact O-OG1 3.36Å
1233R93.7Very high92.9Very high21 Ų2148.7 Ų48.78%0.07925%0.247CC..THydrogen-bonded Turntrans-75.2-4.1176.8-61.7168.7-160.8173.4-5.7114.8E492 R569 H1231 T1235 D1236 F1237 F1298 N1302E492-R1233 IonicContact OE1-CZ 3.2Å; E492-R1233 IonicContact OE1-NH1 3.06Å; E492-R1233 PolarHBondContact OE1-NH1 2.8Å; E492-R1233 IonicContact OE1-NH2 2.78Å; E492-R1233 PolarHBondContact OE1-NH2 2.9Å; E492-R1233 IonicContact OE2-CZ 3.38Å; E492-R1233 IonicContact OE2-NH2 2.92Å; E492-R1233 PolarHBondContact OE2-NH2 3.44Å; R569-R1233 VanDerWaalsContact NH1-NE 3.11Å; H1231-R1233 VanDerWaalsContact C-N 3.31Å; H1231-R1233 PolarHBondContact ND1-N 3.22Å; H1231-R1233 PolarHBondContact O-N 2.91Å; R1233-T1235 PolarHBondContact O-N 3.5Å; R1233-D1236 PolarHBondContact O-N 3.29Å; R1233-F1237 PolarHBondContact O-N 2.97Å; R1233-F1237 VanDerWaalsContact O-N 3.09Å; R1233-F1298 HydrophobicContact CB-CE2 3.94Å; R1233-N1302 WeakPolarHBondContact CD-OD1 3.46Å; R1233-N1302 PolarHBondContact NH1-OD1 2.96Å
1234F95.3Very high92.6Very high19 Ų1945.3 Ų45.38%0.08323%0.229CC..Hα-helixtrans-64.9-31.2-179.6-171.5-101.9000111.9L1201 A1228 I1229 H1231 D1232 D1236 F1237 K1238 F1298L1201-F1234 HydrophobicContact CD1-CZ 4.44Å; L1201-F1234 HydrophobicContact CD2-CE1 4.08Å; L1201-F1234 HydrophobicContact CD2-CZ 4.16Å; A1228-F1234 WeakPolarHBondContact O-CB 3.49Å; A1228-F1234 WeakPolarHBondContact O-CD2 3.27Å; A1228-F1234 WeakPolarHBondContact O-CG 3.46Å; I1229-F1234 HydrophobicContact CB-CE1 4.45Å; I1229-F1234 HydrophobicContact CG1-CE1 4.36Å; I1229-F1234 HydrophobicContact CG1-CZ 4.18Å; I1229-F1234 HydrophobicContact CG2-CD1 4.31Å; I1229-F1234 HydrophobicContact CG2-CE1 4.17Å; H1231-F1234 WeakPolarHBondContact O-CB 3.13Å; H1231-F1234 PolarHBondContact O-N 2.88Å; D1232-F1234 VanDerWaalsContact C-N 3.27Å; D1232-F1234 PolarHBondContact O-N 3.45Å; F1234-D1236 VanDerWaalsContact C-N 3.35Å; F1234-F1237 HydrophobicContact CD2-CD1 4.08Å; F1234-F1237 AromaticContact CE2-CD1 3.93Å; F1234-F1237 HydrophobicContact CE2-CD1 3.93Å; F1234-F1237 HydrophobicContact CE2-CE1 4.23Å; F1234-F1237 WeakPolarHBondContact O-CB 3.45Å; F1234-F1237 PolarHBondContact O-N 3.1Å; F1234-K1238 PolarHBondContact O-N 3.18Å; F1234-F1298 HydrophobicContact CB-CZ 4.19Å; F1234-F1298 HydrophobicContact CD2-CE1 4.1Å; F1234-F1298 HydrophobicContact CD2-CZ 4.12Å
1235T91.2Very high92.3Very high70 Ų7044.7 Ų44.743%0.42922%0.223SC..Hα-helixtrans-65-38.3174.352.30000112.5D1232 R1233 K1238 S1239D1232-T1235 PolarHBondContact O-OG1 3.36Å; R1233-T1235 PolarHBondContact O-N 3.5Å; T1235-K1238 PolarHBondContact O-N 2.92Å; T1235-S1239 WeakPolarHBondContact O-CB 3.34Å; T1235-S1239 PolarHBondContact O-N 3.2Å; T1235-S1239 PolarHBondContact O-OG 3.28Å
1236D91.1Very high91.9Very high102 Ų10244.3 Ų44.355%0.54523%0.225SC..Hα-helixtrans-68.5-43.3177.4-58.5-25.5000109.9R1233 F1234 K1238 S1239 E1240R1233-D1236 PolarHBondContact O-N 3.29Å; F1234-D1236 VanDerWaalsContact C-N 3.35Å; D1236-K1238 PolarHBondContact O-N 2.99Å; D1236-S1239 WeakPolarHBondContact O-CB 3.21Å; D1236-S1239 PolarHBondContact O-N 3.08Å; D1236-S1239 VanDerWaalsContact O-N 3.15Å; D1236-E1240 PolarHBondContact O-N 3.43Å
1237F94.5Very high91.2Very high21 Ų2149.3 Ų49.39%0.09226%0.256CS..Hα-helixtrans-56.8-48.3171.9168.9-107.5000111.8R1233 F1234 S1239 E1240 I1241 R1294 L1295 F1298R1233-F1237 PolarHBondContact O-N 2.97Å; R1233-F1237 VanDerWaalsContact O-N 3.09Å; F1234-F1237 HydrophobicContact CD2-CD1 4.08Å; F1234-F1237 AromaticContact CE2-CD1 3.93Å; F1234-F1237 HydrophobicContact CE2-CD1 3.93Å; F1234-F1237 HydrophobicContact CE2-CE1 4.23Å; F1234-F1237 WeakPolarHBondContact O-CB 3.45Å; F1234-F1237 PolarHBondContact O-N 3.1Å; F1237-S1239 VanDerWaalsContact C-N 3.26Å; F1237-S1239 PolarHBondContact O-N 3.34Å; F1237-E1240 WeakPolarHBondContact O-CB 2.95Å; F1237-E1240 PolarHBondContact O-N 3.24Å; F1237-E1240 VanDerWaalsContact O-N 3.15Å; F1237-I1241 HydrophobicContact CD2-CD1 4.47Å; F1237-I1241 HydrophobicContact CD2-CG1 4.23Å; F1237-I1241 HydrophobicContact CE1-CG1 4.21Å; F1237-I1241 HydrophobicContact CE2-CD1 3.74Å; F1237-I1241 HydrophobicContact CE2-CG1 3.72Å; F1237-I1241 HydrophobicContact CZ-CD1 4.01Å; F1237-I1241 HydrophobicContact CZ-CG1 3.7Å; F1237-I1241 WeakPolarHBondContact O-CG1 3.44Å; F1237-I1241 PolarHBondContact O-N 2.95Å; F1237-R1294 HydrophobicContact CE2-CB 4.04Å; F1237-L1295 HydrophobicContact CE1-CD1 3.9Å; F1237-L1295 HydrophobicContact CE2-CB 4.33Å; F1237-L1295 HydrophobicContact CZ-CB 3.84Å; F1237-L1295 HydrophobicContact CZ-CD1 3.86Å; F1237-L1295 HydrophobicContact CZ-CG 4.44Å; F1237-F1298 HydrophobicContact CB-CD2 3.76Å; F1237-F1298 HydrophobicContact CB-CE2 4.04Å; F1237-F1298 HydrophobicContact CB-CG 4.33Å; F1237-F1298 HydrophobicContact CD2-CB 4.03Å; F1237-F1298 HydrophobicContact CD2-CD2 4.46Å; F1237-F1298 HydrophobicContact CD2-CG 4.33Å; F1237-F1298 HydrophobicContact CE2-CB 4.42Å; F1237-F1298 HydrophobicContact CG-CB 4.42Å; F1237-F1298 HydrophobicContact CG-CD2 4.16Å; F1237-F1298 HydrophobicContact CG-CG 4.23Å
1238K92.6Very high90.1Very high99 Ų9952 Ų5243%0.4327%0.274SS..Hα-helixtrans-58.3-39.8176.1-175.3179.4177.5-178.80111.7N1196 F1234 T1235 D1236 I1241 R1242N1196-K1238 PolarHBondContact O-NZ 3.4Å; F1234-K1238 PolarHBondContact O-N 3.18Å; T1235-K1238 PolarHBondContact O-N 2.92Å; D1236-K1238 PolarHBondContact O-N 2.99Å; K1238-I1241 PolarHBondContact O-N 3.46Å; K1238-R1242 WeakPolarHBondContact O-CB 3.48Å; K1238-R1242 PolarHBondContact O-N 2.91Å
1239S90.8Very high88.9Confident74 Ų7454.8 Ų54.852%0.51729%0.293SS..Hα-helixtrans-68.4-38.8177.9-58.80000111.8T1235 D1236 F1237 R1242 S1243T1235-S1239 WeakPolarHBondContact O-CB 3.34Å; T1235-S1239 PolarHBondContact O-N 3.2Å; T1235-S1239 PolarHBondContact O-OG 3.28Å; D1236-S1239 WeakPolarHBondContact O-CB 3.21Å; D1236-S1239 PolarHBondContact O-N 3.08Å; D1236-S1239 VanDerWaalsContact O-N 3.15Å; F1237-S1239 VanDerWaalsContact C-N 3.26Å; F1237-S1239 PolarHBondContact O-N 3.34Å; S1239-R1242 PolarHBondContact O-N 3.48Å; S1239-S1243 PolarHBondContact O-N 3.35Å
1240E90.5Very high87.3Confident93 Ų9355.1 Ų55.144%0.43530%0.296SS..Hα-helixtrans-61.1-46173.7-162.9-158139.500111.6D1236 F1237 R1242 S1243 L1244 R1294D1236-E1240 PolarHBondContact O-N 3.43Å; F1237-E1240 WeakPolarHBondContact O-CB 2.95Å; F1237-E1240 PolarHBondContact O-N 3.24Å; F1237-E1240 VanDerWaalsContact O-N 3.15Å; E1240-R1242 VanDerWaalsContact C-N 3.35Å; E1240-S1243 WeakPolarHBondContact O-CB 3.34Å; E1240-S1243 PolarHBondContact O-N 2.95Å; E1240-L1244 PolarHBondContact O-N 3.38Å; E1240-R1294 VanDerWaalsContact OE1-CD 3.28Å; E1240-R1294 WeakPolarHBondContact OE1-CD 3.3Å; E1240-R1294 IonicContact OE1-CZ 3.92Å; E1240-R1294 IonicContact OE1-NE 2.82Å; E1240-R1294 IonicContact OE1-NH1 2.74Å; E1240-R1294 PolarHBondContact OE1-NH1 3.32Å
1241I91.7Very high85.6Confident22 Ų2261.9 Ų61.911%0.11334%0.338CS..Hα-helixtrans-63.6-41.2175.5-62.3-50.2000111.1F1237 K1238 S1243 L1244 I1245 V1291 R1294F1237-I1241 HydrophobicContact CD2-CD1 4.47Å; F1237-I1241 HydrophobicContact CD2-CG1 4.23Å; F1237-I1241 HydrophobicContact CE1-CG1 4.21Å; F1237-I1241 HydrophobicContact CE2-CD1 3.74Å; F1237-I1241 HydrophobicContact CE2-CG1 3.72Å; F1237-I1241 HydrophobicContact CZ-CD1 4.01Å; F1237-I1241 HydrophobicContact CZ-CG1 3.7Å; F1237-I1241 WeakPolarHBondContact O-CG1 3.44Å; F1237-I1241 PolarHBondContact O-N 2.95Å; K1238-I1241 PolarHBondContact O-N 3.46Å; I1241-S1243 VanDerWaalsContact C-N 3.31Å; I1241-S1243 PolarHBondContact O-N 3.24Å; I1241-L1244 WeakPolarHBondContact O-CB 3.42Å; I1241-L1244 PolarHBondContact O-N 3.5Å; I1241-I1245 HydrophobicContact CG2-CD1 4.03Å; I1241-I1245 WeakPolarHBondContact O-CG1 3.36Å; I1241-I1245 PolarHBondContact O-N 3.23Å; I1241-I1245 VanDerWaalsContact O-N 3.07Å; I1241-V1291 HydrophobicContact CD1-CB 4.48Å; I1241-V1291 HydrophobicContact CD1-CG1 4.21Å; I1241-V1291 HydrophobicContact CD1-CG2 4.27Å; I1241-V1291 HydrophobicContact CG2-CG1 4.44Å; I1241-V1291 HydrophobicContact CG2-CG2 4.07Å; I1241-R1294 HydrophobicContact CD1-CB 3.99Å
1242R89.6Confident83.8Confident183 Ų18366.9 Ų66.969%0.69137%0.369SS*.Hα-helixtrans-61.9-39.5174.9-174177-178.1122.40.4111.6K1238 S1239 E1240 N1246K1238-R1242 WeakPolarHBondContact O-CB 3.48Å; K1238-R1242 PolarHBondContact O-N 2.91Å; S1239-R1242 PolarHBondContact O-N 3.48Å; E1240-R1242 VanDerWaalsContact C-N 3.35Å; R1242-N1246 PolarHBondContact O-N 3.3Å; R1242-N1246 PolarHBondContact O-ND2 3.3Å
1243S87.5Confident82.3Confident63 Ų6366.9 Ų66.944%0.44137%0.371SS..Hα-helixtrans-63.5-47.5174.5-1720000110.8S1239 E1240 I1241 I1245 N1246 T1247S1239-S1243 PolarHBondContact O-N 3.35Å; E1240-S1243 WeakPolarHBondContact O-CB 3.34Å; E1240-S1243 PolarHBondContact O-N 2.95Å; I1241-S1243 VanDerWaalsContact C-N 3.31Å; I1241-S1243 PolarHBondContact O-N 3.24Å; S1243-I1245 VanDerWaalsContact C-N 3.28Å; S1243-I1245 PolarHBondContact O-N 2.87Å; S1243-N1246 PolarHBondContact O-N 2.86Å; S1243-T1247 PolarHBondContact O-N 2.9Å; S1243-T1247 PolarHBondContact O-OG1 2.91Å
1244L85.9Confident81.2Confident10 Ų1074.1 Ų74.15%0.05241%0.411CS..Hα-helixtrans-52.4-46.8178172.369.4000111.8E1240 I1241 N1246 C1248 Y1287 E1290 V1291E1240-L1244 PolarHBondContact O-N 3.38Å; I1241-L1244 WeakPolarHBondContact O-CB 3.42Å; I1241-L1244 PolarHBondContact O-N 3.5Å; L1244-N1246 VanDerWaalsContact C-N 3.3Å; L1244-N1246 PolarHBondContact O-N 3.38Å; L1244-C1248 HydrophobicContact CD1-CB 3.74Å; L1244-C1248 WeakPolarHBondContact O-CB 3.46Å; L1244-C1248 PolarHBondContact O-N 2.81Å; L1244-Y1287 HydrophobicContact CG-CD1 4.49Å; L1244-E1290 HydrophobicContact CD1-CG 4.04Å; L1244-E1290 HydrophobicContact CD2-CB 4.21Å; L1244-E1290 HydrophobicContact CD2-CG 3.58Å; L1244-E1290 HydrophobicContact CG-CG 4.47Å; L1244-V1291 HydrophobicContact CD2-CG2 4.22Å
1245I86.5Confident80.3Confident42 Ų4276 Ų7622%0.21542%0.42CS..Hα-helixtrans-65.4-31.8-180-69.8169.2000112.4I1241 S1243 L1257 G1258 Y1287I1241-I1245 HydrophobicContact CG2-CD1 4.03Å; I1241-I1245 WeakPolarHBondContact O-CG1 3.36Å; I1241-I1245 PolarHBondContact O-N 3.23Å; I1241-I1245 VanDerWaalsContact O-N 3.07Å; S1243-I1245 VanDerWaalsContact C-N 3.28Å; S1243-I1245 PolarHBondContact O-N 2.87Å; I1245-L1257 HydrophobicContact CG2-CB 4.18Å; I1245-L1257 HydrophobicContact CG2-CD2 4.17Å; I1245-L1257 HydrophobicContact CG2-CG 4.43Å; I1245-G1258 PolarHBondContact O-N 3.44Å; I1245-Y1287 HydrophobicContact CG1-CD1 4.49Å
1246N84.5Confident80Confident46 Ų4672.7 Ų72.725%0.24640%0.399CS..Hα-helixtrans-89.5-23.1-177.4-77.9-61.3000114.4R1242 S1243 L1244 S1256 R1262R1242-N1246 PolarHBondContact O-N 3.3Å; R1242-N1246 PolarHBondContact O-ND2 3.3Å; S1243-N1246 PolarHBondContact O-N 2.86Å; L1244-N1246 VanDerWaalsContact C-N 3.3Å; L1244-N1246 PolarHBondContact O-N 3.38Å; N1246-S1256 PolarHBondContact O-OG 2.99Å; N1246-R1262 PolarHBondContact OD1-NH1 3.34Å
1247T78.4Confident79.6Confident105 Ų10568.9 Ų68.964%0.64438%0.379SS*.Hα-helixtrans-115.1-24-172.262.90000114.1S1243 S1249S1243-T1247 PolarHBondContact O-N 2.9Å; S1243-T1247 PolarHBondContact O-OG1 2.91Å; T1247-S1249 PolarHBondContact O-N 3.4Å
1248C72.8Confident79.2Confident57 Ų5768.1 Ų68.139%0.38538%0.377SS..  trans-87.2108-177.2-160.30000109.5L1244 S1256 Y1287L1244-C1248 HydrophobicContact CD1-CB 3.74Å; L1244-C1248 WeakPolarHBondContact O-CB 3.46Å; L1244-C1248 PolarHBondContact O-N 2.81Å; C1248-S1256 WeakPolarHBondContact O-CB 3.21Å; C1248-Y1287 HydrophobicContact CB-CE1 4.41Å; C1248-Y1287 PolarHBondContact O-OH 2.55Å
1249S68.5Low78.8Confident68 Ų6867.3 Ų67.348%0.47638%0.375SS..  trans-77134.8167.458.70000109.4T1247T1247-S1249 PolarHBondContact O-N 3.4Å
1250P63.2Low78.6Confident19 Ų1965 Ų6512%0.12336%0.356CS..  trans-66.4167.7176.4-17.130.1000114.1T1252 T1253 E1255 E1286 Y1287P1250-T1252 PolarHBondContact O-N 3.03Å; P1250-T1253 WeakPolarHBondContact CD-OG1 3.32Å; P1250-T1253 VanDerWaalsContact CG-OG1 3.28Å; P1250-T1253 WeakPolarHBondContact CG-OG1 3.36Å; P1250-E1255 WeakPolarHBondContact CD-O 3.37Å; P1250-E1286 HydrophobicContact CB-CB 4.49Å; P1250-E1286 HydrophobicContact CB-CG 4.27Å; P1250-E1286 WeakPolarHBondContact CB-OE1 3.44Å; P1250-E1286 WeakPolarHBondContact CB-OE2 3.35Å; P1250-E1286 WeakPolarHBondContact CG-OE2 3.34Å; P1250-Y1287 HydrophobicContact CG-CE2 3.99Å; P1250-Y1287 WeakPolarHBondContact CG-OH 3.4Å
1251T61.2Low78.4Confident149 Ų14963.7 Ų63.791%0.91435%0.351SS*.SBendtrans-66.7-21.6171.347.50000112.9
1252T57.9Low78.2Confident108 Ų10868.6 Ų68.666%0.66337%0.368SS*.SBendtrans-101.7-24.3-168.4-240000112.9P1250 E1286P1250-T1252 PolarHBondContact O-N 3.03Å; T1252-E1286 VanDerWaalsContact CB-OE1 3.29Å; T1252-E1286 WeakPolarHBondContact CB-OE1 3.47Å; T1252-E1286 PolarHBondContact OG1-OE1 3.39Å
1253T60.3Low78Confident34 Ų3462.4 Ų62.421%0.20935%0.351CS..  trans-129.7137.9178.956.40000110.4P1250 E1255 L1282P1250-T1253 WeakPolarHBondContact CD-OG1 3.32Å; P1250-T1253 VanDerWaalsContact CG-OG1 3.28Å; P1250-T1253 WeakPolarHBondContact CG-OG1 3.36Å; T1253-E1255 PolarHBondContact O-N 3.31Å; T1253-E1255 PolarHBondContact OG1-O 2.97Å; T1253-L1282 HydrophobicContact CG2-CD2 4.47Å
1254N70.7Confident78Confident172 Ų17260 Ų6092%0.9233%0.333SS*.SBendtrans-72.7-2177.9-76.9-7.3000113.9
1255E77.9Confident78Confident58 Ų5863.2 Ų63.227%0.27135%0.349SS..SBendtrans-117.9142.8179.360.2179.2-179.700111P1250 T1253 E1259 K1260P1250-E1255 WeakPolarHBondContact CD-O 3.37Å; T1253-E1255 PolarHBondContact O-N 3.31Å; T1253-E1255 PolarHBondContact OG1-O 2.97Å; E1255-E1259 HydrophobicContact CB-CB 4.3Å; E1255-K1260 HydrophobicContact CG-CB 4.21Å; E1255-K1260 VanDerWaalsContact OE1-CD 3.3Å; E1255-K1260 WeakPolarHBondContact OE1-CD 3.37Å; E1255-K1260 WeakPolarHBondContact OE1-CG 3.34Å; E1255-K1260 IonicContact OE1-NZ 2.67Å
1256S83.1Confident78Confident1 Ų170 Ų701%0.00738%0.377CS..  trans-70.6160.9170.864.40000111.7N1246 C1248 G1258 E1259 K1260N1246-S1256 PolarHBondContact O-OG 2.99Å; C1248-S1256 WeakPolarHBondContact O-CB 3.21Å; S1256-G1258 VanDerWaalsContact C-N 3.25Å; S1256-G1258 PolarHBondContact O-N 2.79Å; S1256-E1259 PolarHBondContact N-OE2 3.37Å; S1256-E1259 PolarHBondContact O-N 3.02Å; S1256-E1259 VanDerWaalsContact O-N 3.15Å; S1256-E1259 WeakPolarHBondContact OG-CB 3.46Å; S1256-E1259 VanDerWaalsContact OG-CD 3.23Å; S1256-E1259 WeakPolarHBondContact OG-CG 3.29Å; S1256-E1259 PolarHBondContact OG-N 3.47Å; S1256-E1259 PolarHBondContact OG-OE2 3.02Å; S1256-K1260 PolarHBondContact O-N 2.93Å
1257L84.4Confident78.2Confident22 Ų2274.7 Ų74.712%0.11540%0.398CS..Hα-helixtrans-60.4-37.6177.8-174.669.9000111.8I1245 L1261 L1279 L1282 Y1283 Y1287I1245-L1257 HydrophobicContact CG2-CB 4.18Å; I1245-L1257 HydrophobicContact CG2-CD2 4.17Å; I1245-L1257 HydrophobicContact CG2-CG 4.43Å; L1257-L1261 WeakPolarHBondContact O-CB 3.45Å; L1257-L1261 PolarHBondContact O-N 2.79Å; L1257-L1279 HydrophobicContact CD1-CB 4.19Å; L1257-L1279 HydrophobicContact CD1-CD2 3.56Å; L1257-L1279 HydrophobicContact CG-CD2 4.49Å; L1257-L1282 HydrophobicContact CD1-CB 4.08Å; L1257-Y1283 HydrophobicContact CD2-CD2 4.1Å; L1257-Y1287 HydrophobicContact CB-CE1 4.43Å; L1257-Y1287 HydrophobicContact CB-CE2 3.89Å; L1257-Y1287 PolarHBondContact N-OH 2.87Å
1258G85.1Confident78.5Confident5 Ų574.8 Ų74.85%0.05239%0.389CS..Hα-helixtrans-67.1-37.1175.400000113.7I1245 S1256 R1262I1245-G1258 PolarHBondContact O-N 3.44Å; S1256-G1258 VanDerWaalsContact C-N 3.25Å; S1256-G1258 PolarHBondContact O-N 2.79Å; G1258-R1262 WeakPolarHBondContact O-CG 3.29Å; G1258-R1262 PolarHBondContact O-N 2.91Å; G1258-R1262 VanDerWaalsContact O-N 3.14Å; G1258-R1262 PolarHBondContact O-NH1 2.94Å
1259E85.2Confident78.8Confident83 Ų8378.9 Ų78.939%0.38841%0.407SS..Hα-helixtrans-68.3-46.6174-74.2164.9155.800111.4E1255 S1256 L1261 R1262 T1263E1255-E1259 HydrophobicContact CB-CB 4.3Å; S1256-E1259 PolarHBondContact N-OE2 3.37Å; S1256-E1259 PolarHBondContact O-N 3.02Å; S1256-E1259 VanDerWaalsContact O-N 3.15Å; S1256-E1259 WeakPolarHBondContact OG-CB 3.46Å; S1256-E1259 VanDerWaalsContact OG-CD 3.23Å; S1256-E1259 WeakPolarHBondContact OG-CG 3.29Å; S1256-E1259 PolarHBondContact OG-N 3.47Å; S1256-E1259 PolarHBondContact OG-OE2 3.02Å; E1259-L1261 VanDerWaalsContact C-N 3.26Å; E1259-L1261 PolarHBondContact O-N 2.95Å; E1259-R1262 VanDerWaalsContact CG-NH2 3.25Å; E1259-R1262 CarbonylContact O-C 3.59Å; E1259-R1262 WeakPolarHBondContact O-CA 3.42Å; E1259-R1262 WeakPolarHBondContact O-CB 3.47Å; E1259-R1262 PolarHBondContact O-N 2.91Å; E1259-T1263 PolarHBondContact O-N 3.46Å; E1259-T1263 PolarHBondContact O-OG1 2.94Å
1260K85.3Confident79.3Confident25 Ų2583.2 Ų83.211%0.10942%0.42CS..Hα-helixtrans-55.8-43.6176.7-173.5167.6-173.1150.60112E1255 S1256 R1262 T1263 I1264 E1278 L1279 L1282E1255-K1260 HydrophobicContact CG-CB 4.21Å; E1255-K1260 VanDerWaalsContact OE1-CD 3.3Å; E1255-K1260 WeakPolarHBondContact OE1-CD 3.37Å; E1255-K1260 WeakPolarHBondContact OE1-CG 3.34Å; E1255-K1260 IonicContact OE1-NZ 2.67Å; S1256-K1260 PolarHBondContact O-N 2.93Å; K1260-R1262 PolarHBondContact O-N 3.21Å; K1260-T1263 WeakPolarHBondContact O-CB 3.4Å; K1260-T1263 PolarHBondContact O-N 3Å; K1260-I1264 HydrophobicContact CG-CD1 3.99Å; K1260-I1264 WeakPolarHBondContact O-CD1 3.43Å; K1260-I1264 VanDerWaalsContact O-CG1 3.27Å; K1260-I1264 WeakPolarHBondContact O-CG1 3.04Å; K1260-I1264 PolarHBondContact O-N 3.32Å; K1260-E1278 WeakPolarHBondContact CE-OE1 3.31Å; K1260-E1278 IonicContact NZ-OE1 3.3Å; K1260-E1278 PolarHBondContact NZ-OE1 3.21Å; K1260-L1279 HydrophobicContact CB-CD2 4.29Å; K1260-L1279 HydrophobicContact CD-CD2 4.12Å; K1260-L1279 HydrophobicContact CG-CD2 4.01Å; K1260-L1282 HydrophobicContact CD-CD1 3.49Å; K1260-L1282 VanDerWaalsContact CD-CD1 3.49Å
1261L87.1Confident80Confident66 Ų6685 Ų8535%0.34643%0.43SS..Hα-helixtrans-61-43.4174.4178.462.3000111.9L1257 E1259 T1263 I1264 I1265 V1271 L1279L1257-L1261 WeakPolarHBondContact O-CB 3.45Å; L1257-L1261 PolarHBondContact O-N 2.79Å; E1259-L1261 VanDerWaalsContact C-N 3.26Å; E1259-L1261 PolarHBondContact O-N 2.95Å; L1261-T1263 VanDerWaalsContact C-N 3.34Å; L1261-I1264 PolarHBondContact O-N 2.9Å; L1261-I1265 HydrophobicContact CD1-CD1 3.97Å; L1261-I1265 HydrophobicContact CD1-CG1 4.28Å; L1261-I1265 HydrophobicContact CG-CD1 3.93Å; L1261-I1265 VanDerWaalsContact O-CG1 3.29Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.27Å; L1261-I1265 PolarHBondContact O-N 3.03Å; L1261-V1271 HydrophobicContact CD1-CG2 3.77Å; L1261-L1279 HydrophobicContact CD1-CD1 3.83Å
1262R86.6Confident81.1Confident125 Ų12580.2 Ų80.247%0.47240%0.403SS..Hα-helixtrans-64.1-38.3175.4-74.2-174.8-69.5-88.57.1112.1N1246 G1258 E1259 K1260 K1266N1246-R1262 PolarHBondContact OD1-NH1 3.34Å; G1258-R1262 WeakPolarHBondContact O-CG 3.29Å; G1258-R1262 PolarHBondContact O-N 2.91Å; G1258-R1262 VanDerWaalsContact O-N 3.14Å; G1258-R1262 PolarHBondContact O-NH1 2.94Å; E1259-R1262 VanDerWaalsContact CG-NH2 3.25Å; E1259-R1262 CarbonylContact O-C 3.59Å; E1259-R1262 WeakPolarHBondContact O-CA 3.42Å; E1259-R1262 WeakPolarHBondContact O-CB 3.47Å; E1259-R1262 PolarHBondContact O-N 2.91Å; K1260-R1262 PolarHBondContact O-N 3.21Å; R1262-K1266 VanDerWaalsContact O-CB 3.24Å; R1262-K1266 WeakPolarHBondContact O-CB 3.46Å; R1262-K1266 PolarHBondContact O-N 2.59Å
1263T86.6Confident82.4Confident53 Ų5380.9 Ų80.933%0.32540%0.402SS..Hα-helixtrans-62.4-48.4174.9-53.80000110.5E1259 K1260 L1261 I1265 K1266 E1267E1259-T1263 PolarHBondContact O-N 3.46Å; E1259-T1263 PolarHBondContact O-OG1 2.94Å; K1260-T1263 WeakPolarHBondContact O-CB 3.4Å; K1260-T1263 PolarHBondContact O-N 3Å; L1261-T1263 VanDerWaalsContact C-N 3.34Å; T1263-I1265 PolarHBondContact O-N 3.39Å; T1263-K1266 PolarHBondContact O-N 3.13Å; T1263-E1267 HydrophobicContact CG2-CG 4.4Å; T1263-E1267 WeakPolarHBondContact O-CB 3.33Å; T1263-E1267 WeakPolarHBondContact O-CG 3.35Å; T1263-E1267 PolarHBondContact O-N 3.47Å
1264I86.7Confident83.7Confident11 Ų1184.8 Ų84.86%0.05642%0.422CS..Hα-helixtrans-58.9-48.7177.1-68.4160.3000111K1260 L1261 K1266 E1267 K1268 V1271 D1275 L1279K1260-I1264 HydrophobicContact CG-CD1 3.99Å; K1260-I1264 WeakPolarHBondContact O-CD1 3.43Å; K1260-I1264 VanDerWaalsContact O-CG1 3.27Å; K1260-I1264 WeakPolarHBondContact O-CG1 3.04Å; K1260-I1264 PolarHBondContact O-N 3.32Å; L1261-I1264 PolarHBondContact O-N 2.9Å; I1264-K1266 VanDerWaalsContact C-N 3.31Å; I1264-K1266 PolarHBondContact O-N 2.62Å; I1264-E1267 PolarHBondContact O-N 2.88Å; I1264-K1268 HydrophobicContact CG2-CD 4.37Å; I1264-K1268 WeakPolarHBondContact O-CB 3.21Å; I1264-K1268 PolarHBondContact O-N 3.2Å; I1264-V1271 HydrophobicContact CG2-CG2 4.25Å; I1264-D1275 HydrophobicContact CD1-CB 4.25Å; I1264-D1275 HydrophobicContact CG2-CB 4.14Å; I1264-L1279 HydrophobicContact CD1-CD1 4.03Å; I1264-L1279 HydrophobicContact CD1-CD2 4.03Å; I1264-L1279 HydrophobicContact CD1-CG 4.09Å
1265I85.9Confident84.5Confident78 Ų7877 Ų7740%0.438%0.38SS..Hα-helixtrans-61.9-41.4178.9-67.9167.5000110.5L1261 T1263 E1267 D1269 V1271L1261-I1265 HydrophobicContact CD1-CD1 3.97Å; L1261-I1265 HydrophobicContact CD1-CG1 4.28Å; L1261-I1265 HydrophobicContact CG-CD1 3.93Å; L1261-I1265 VanDerWaalsContact O-CG1 3.29Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.27Å; L1261-I1265 PolarHBondContact O-N 3.03Å; T1263-I1265 PolarHBondContact O-N 3.39Å; I1265-E1267 VanDerWaalsContact C-N 3.33Å; I1265-E1267 PolarHBondContact O-N 3.04Å; I1265-D1269 WeakPolarHBondContact O-CA 3.24Å; I1265-D1269 PolarHBondContact O-N 3.08Å; I1265-V1271 HydrophobicContact CG1-CG2 4Å
1266K87.4Confident84.9Confident184 Ų18479.9 Ų79.980%0.839%0.392SS*.Hα-helixtrans-68.1-31.5179-172.6-179.2178-174.50113.2R1262 T1263 I1264R1262-K1266 VanDerWaalsContact O-CB 3.24Å; R1262-K1266 WeakPolarHBondContact O-CB 3.46Å; R1262-K1266 PolarHBondContact O-N 2.59Å; T1263-K1266 PolarHBondContact O-N 3.13Å; I1264-K1266 VanDerWaalsContact C-N 3.31Å; I1264-K1266 PolarHBondContact O-N 2.62Å
1267E87.6Confident85.2Confident146 Ų14684 Ų8468%0.68241%0.411SS*.Hα-helixtrans-87.3-34.8-178-73.7-18017700113.5T1263 I1264 I1265T1263-E1267 HydrophobicContact CG2-CG 4.4Å; T1263-E1267 WeakPolarHBondContact O-CB 3.33Å; T1263-E1267 WeakPolarHBondContact O-CG 3.35Å; T1263-E1267 PolarHBondContact O-N 3.47Å; I1264-E1267 PolarHBondContact O-N 2.88Å; I1265-E1267 VanDerWaalsContact C-N 3.33Å; I1265-E1267 PolarHBondContact O-N 3.04Å
1268K84.6Confident85.3Confident107 Ų10786.9 Ų86.947%0.46542%0.424SS..Hα-helixtrans-116.4-8.4-170.2-60.4-173.1-174.9179.80114.5I1264 E1270 D1275I1264-K1268 HydrophobicContact CG2-CD 4.37Å; I1264-K1268 WeakPolarHBondContact O-CB 3.21Å; I1264-K1268 PolarHBondContact O-N 3.2Å; K1268-E1270 WeakPolarHBondContact CB-O 3.2Å; K1268-E1270 PolarHBondContact O-N 3.21Å; K1268-D1275 WeakPolarHBondContact CD-OD2 3.35Å; K1268-D1275 IonicContact NZ-OD1 2.68Å; K1268-D1275 PolarHBondContact NZ-OD1 2.97Å; K1268-D1275 IonicContact NZ-OD2 3.19Å; K1268-D1275 PolarHBondContact NZ-OD2 2.75Å
1269D78.6Confident85.4Confident142 Ų14287.5 Ų87.576%0.75943%0.426SS*.SBendtrans58.4-29.1-167.2-70.3-33.3000115I1265I1265-D1269 WeakPolarHBondContact O-CA 3.24Å; I1265-D1269 PolarHBondContact O-N 3.08Å
1270E78.8Confident85.5Confident159 Ų15989.3 Ų89.374%0.74343%0.433SS*.SBendtrans-126.2149.2177.8-64.3-174168.100111.9K1268K1268-E1270 WeakPolarHBondContact CB-O 3.2Å; K1268-E1270 PolarHBondContact O-N 3.21Å
1271V79.4Confident85.6Confident56 Ų5696.2 Ų96.234%0.33946%0.458SS..  trans-88.8109.8174.9-176.90000108.5L1261 I1264 I1265 D1275 F1276 L1279L1261-V1271 HydrophobicContact CD1-CG2 3.77Å; I1264-V1271 HydrophobicContact CG2-CG2 4.25Å; I1265-V1271 HydrophobicContact CG1-CG2 4Å; V1271-D1275 HydrophobicContact CG1-CB 3.83Å; V1271-F1276 HydrophobicContact CG1-CB 4.35Å; V1271-L1279 HydrophobicContact CG1-CD1 4.32Å
1272S84.7Confident85.5Confident49 Ų4994.5 Ų94.534%0.34345%0.449SS..  trans-68.8161.5176.6760000111.7N1274 D1275 F1276S1272-N1274 PolarHBondContact O-N 2.75Å; S1272-D1275 VanDerWaalsContact CB-OD2 3.28Å; S1272-D1275 WeakPolarHBondContact CB-OD2 3.16Å; S1272-D1275 PolarHBondContact N-OD2 2.69Å; S1272-D1275 VanDerWaalsContact N-OD2 3.08Å; S1272-D1275 WeakPolarHBondContact O-CB 2.97Å; S1272-D1275 PolarHBondContact O-N 2.87Å; S1272-D1275 PolarHBondContact OG-N 2.76Å; S1272-D1275 PolarHBondContact OG-OD2 3.26Å; S1272-F1276 PolarHBondContact O-N 3.32Å
1273L85.2Confident85.6Confident123 Ų12391.8 Ų91.864%0.64444%0.439SS*.Hα-helixtrans-57.7-35.5175.7-175.365.3000112.3F1276 Q1277L1273-F1276 PolarHBondContact O-N 3.37Å; L1273-Q1277 WeakPolarHBondContact O-CG 3.32Å; L1273-Q1277 PolarHBondContact O-N 3.28Å
1274N86.5Confident85.6Confident116 Ų11692.8 Ų92.862%0.6244%0.442SS*.Hα-helixtrans-66.9-41.7176.6-70.2-17.1000111.2S1272 F1276 Q1277 E1278S1272-N1274 PolarHBondContact O-N 2.75Å; N1274-F1276 VanDerWaalsContact C-N 3.34Å; N1274-Q1277 PolarHBondContact O-N 3.24Å; N1274-E1278 PolarHBondContact O-N 3.15Å
1275D87.6Confident85.5Confident9 Ų998.5 Ų98.55%0.04847%0.473CS..Hα-helixtrans-63-42.9175.7-60.2-42.3000110.7I1264 K1268 V1271 S1272 Q1277 E1278 L1279I1264-D1275 HydrophobicContact CD1-CB 4.25Å; I1264-D1275 HydrophobicContact CG2-CB 4.14Å; K1268-D1275 WeakPolarHBondContact CD-OD2 3.35Å; K1268-D1275 IonicContact NZ-OD1 2.68Å; K1268-D1275 PolarHBondContact NZ-OD1 2.97Å; K1268-D1275 IonicContact NZ-OD2 3.19Å; K1268-D1275 PolarHBondContact NZ-OD2 2.75Å; V1271-D1275 HydrophobicContact CG1-CB 3.83Å; S1272-D1275 VanDerWaalsContact CB-OD2 3.28Å; S1272-D1275 WeakPolarHBondContact CB-OD2 3.16Å; S1272-D1275 PolarHBondContact N-OD2 2.69Å; S1272-D1275 VanDerWaalsContact N-OD2 3.08Å; S1272-D1275 WeakPolarHBondContact O-CB 2.97Å; S1272-D1275 PolarHBondContact O-N 2.87Å; S1272-D1275 PolarHBondContact OG-N 2.76Å; S1272-D1275 PolarHBondContact OG-OD2 3.26Å; D1275-Q1277 VanDerWaalsContact C-N 3.35Å; D1275-Q1277 PolarHBondContact O-N 3.28Å; D1275-E1278 WeakPolarHBondContact O-CB 3.43Å; D1275-E1278 PolarHBondContact O-N 3.44Å; D1275-L1279 WeakPolarHBondContact O-CB 3.15Å; D1275-L1279 VanDerWaalsContact O-CG 3.27Å; D1275-L1279 WeakPolarHBondContact O-CG 3.35Å; D1275-L1279 PolarHBondContact O-N 3.42Å
1276F85.9Confident85.2Confident117 Ų11797.2 Ų97.251%0.51347%0.465SS..Hα-helixtrans-61.6-42.1175.5-175.3-96.4000112.1V1271 S1272 L1273 N1274 E1278 L1279 K1280V1271-F1276 HydrophobicContact CG1-CB 4.35Å; S1272-F1276 PolarHBondContact O-N 3.32Å; L1273-F1276 PolarHBondContact O-N 3.37Å; N1274-F1276 VanDerWaalsContact C-N 3.34Å; F1276-E1278 VanDerWaalsContact C-N 3.33Å; F1276-E1278 PolarHBondContact O-N 3.12Å; F1276-L1279 PolarHBondContact O-N 3.27Å; F1276-K1280 HydrophobicContact CE1-CD 4.33Å; F1276-K1280 VanDerWaalsContact O-CB 3.24Å; F1276-K1280 WeakPolarHBondContact O-CB 3.19Å; F1276-K1280 PolarHBondContact O-N 2.84Å
1277Q89.1Confident85.3Confident87 Ų8788.8 Ų88.841%0.40743%0.429SS..Hα-helixtrans-63.6-39175.2-73.9179.61600112L1273 N1274 D1275 K1280 R1281L1273-Q1277 WeakPolarHBondContact O-CG 3.32Å; L1273-Q1277 PolarHBondContact O-N 3.28Å; N1274-Q1277 PolarHBondContact O-N 3.24Å; D1275-Q1277 VanDerWaalsContact C-N 3.35Å; D1275-Q1277 PolarHBondContact O-N 3.28Å; Q1277-K1280 PolarHBondContact O-N 3.49Å; Q1277-R1281 VanDerWaalsContact O-CG 3.28Å; Q1277-R1281 WeakPolarHBondContact O-CG 3.22Å; Q1277-R1281 PolarHBondContact O-N 3.01Å
1278E86.4Confident85.4Confident84 Ų8486.2 Ų86.239%0.39342%0.415SS..Hα-helixtrans-64.2-50175.2-173.1-17917400111.6K1260 N1274 D1275 F1276 K1280 R1281 L1282K1260-E1278 WeakPolarHBondContact CE-OE1 3.31Å; K1260-E1278 IonicContact NZ-OE1 3.3Å; K1260-E1278 PolarHBondContact NZ-OE1 3.21Å; N1274-E1278 PolarHBondContact O-N 3.15Å; D1275-E1278 WeakPolarHBondContact O-CB 3.43Å; D1275-E1278 PolarHBondContact O-N 3.44Å; F1276-E1278 VanDerWaalsContact C-N 3.33Å; F1276-E1278 PolarHBondContact O-N 3.12Å; E1278-K1280 VanDerWaalsContact C-N 3.28Å; E1278-K1280 PolarHBondContact O-N 3.16Å; E1278-R1281 WeakPolarHBondContact O-CB 3.43Å; E1278-R1281 PolarHBondContact O-N 2.99Å; E1278-R1281 VanDerWaalsContact O-N 3.12Å; E1278-L1282 PolarHBondContact O-N 3.22Å
1279L87.3Confident85.6Confident18 Ų1888 Ų889%0.09442%0.423CS..Hα-helixtrans-57.8-41.5175.5-69.8170.6000111.4L1257 K1260 L1261 I1264 V1271 D1275 F1276 L1282 Y1283L1257-L1279 HydrophobicContact CD1-CB 4.19Å; L1257-L1279 HydrophobicContact CD1-CD2 3.56Å; L1257-L1279 HydrophobicContact CG-CD2 4.49Å; K1260-L1279 HydrophobicContact CB-CD2 4.29Å; K1260-L1279 HydrophobicContact CD-CD2 4.12Å; K1260-L1279 HydrophobicContact CG-CD2 4.01Å; L1261-L1279 HydrophobicContact CD1-CD1 3.83Å; I1264-L1279 HydrophobicContact CD1-CD1 4.03Å; I1264-L1279 HydrophobicContact CD1-CD2 4.03Å; I1264-L1279 HydrophobicContact CD1-CG 4.09Å; V1271-L1279 HydrophobicContact CG1-CD1 4.32Å; D1275-L1279 WeakPolarHBondContact O-CB 3.15Å; D1275-L1279 VanDerWaalsContact O-CG 3.27Å; D1275-L1279 WeakPolarHBondContact O-CG 3.35Å; D1275-L1279 PolarHBondContact O-N 3.42Å; F1276-L1279 PolarHBondContact O-N 3.27Å; L1279-L1282 PolarHBondContact O-N 3.05Å; L1279-Y1283 WeakPolarHBondContact O-CB 3.46Å; L1279-Y1283 PolarHBondContact O-N 3.18Å
1280K87.9Confident86.1Confident121 Ų12184.1 Ų84.153%0.52640%0.4SS..Hα-helixtrans-65-38.9176.2-174.2173.3-177.5175.30112.3F1276 Q1277 E1278 N1284F1276-K1280 HydrophobicContact CE1-CD 4.33Å; F1276-K1280 VanDerWaalsContact O-CB 3.24Å; F1276-K1280 WeakPolarHBondContact O-CB 3.19Å; F1276-K1280 PolarHBondContact O-N 2.84Å; Q1277-K1280 PolarHBondContact O-N 3.49Å; E1278-K1280 VanDerWaalsContact C-N 3.28Å; E1278-K1280 PolarHBondContact O-N 3.16Å; K1280-N1284 WeakPolarHBondContact O-CB 3.26Å; K1280-N1284 VanDerWaalsContact O-CG 3.29Å; K1280-N1284 PolarHBondContact O-N 3.12Å; K1280-N1284 PolarHBondContact O-ND2 2.97Å
1281R86.9Confident86.7Confident170 Ų17077.6 Ų77.664%0.64237%0.371SS*.Hα-helixtrans-63.5-46174.6-76.1173.6-175.2-177.44.4111.1Q1277 E1278 N1284 N1285Q1277-R1281 VanDerWaalsContact O-CG 3.28Å; Q1277-R1281 WeakPolarHBondContact O-CG 3.22Å; Q1277-R1281 PolarHBondContact O-N 3.01Å; E1278-R1281 WeakPolarHBondContact O-CB 3.43Å; E1278-R1281 PolarHBondContact O-N 2.99Å; E1278-R1281 VanDerWaalsContact O-N 3.12Å; R1281-N1284 PolarHBondContact O-N 2.94Å; R1281-N1285 VanDerWaalsContact O-CG 3.27Å; R1281-N1285 PolarHBondContact O-N 3.37Å; R1281-N1285 VanDerWaalsContact O-N 3.08Å; R1281-N1285 PolarHBondContact O-ND2 3.29Å
1282L85.5Confident87.2Confident29 Ų2979.3 Ų79.315%0.15238%0.376CS..Hα-helixtrans-60.2-47.6176.2-71171.2000111.7T1253 L1257 K1260 E1278 L1279 N1284 N1285 E1286T1253-L1282 HydrophobicContact CG2-CD2 4.47Å; L1257-L1282 HydrophobicContact CD1-CB 4.08Å; K1260-L1282 HydrophobicContact CD-CD1 3.49Å; K1260-L1282 VanDerWaalsContact CD-CD1 3.49Å; E1278-L1282 PolarHBondContact O-N 3.22Å; L1279-L1282 PolarHBondContact O-N 3.05Å; L1282-N1284 PolarHBondContact O-N 3.47Å; L1282-N1285 PolarHBondContact O-N 3.19Å; L1282-E1286 PolarHBondContact O-N 3.39Å
1283Y88.2Confident87.5Confident69 Ų6980.9 Ų80.927%0.27138%0.378SS..Iπ-helixtrans-55-50.2175.3176.6-95.2000112.3L1257 L1279 N1285 Y1287 K1288 V1291L1257-Y1283 HydrophobicContact CD2-CD2 4.1Å; L1279-Y1283 WeakPolarHBondContact O-CB 3.46Å; L1279-Y1283 PolarHBondContact O-N 3.18Å; Y1283-N1285 VanDerWaalsContact C-N 3.33Å; Y1283-N1285 PolarHBondContact O-N 3.27Å; Y1283-Y1287 HydrophobicContact CD2-CG 4.41Å; Y1283-Y1287 PolarHBondContact O-N 2.9Å; Y1283-K1288 HydrophobicContact CD1-CB 4.41Å; Y1283-K1288 HydrophobicContact CE1-CB 3.98Å; Y1283-K1288 HydrophobicContact CE1-CG 4.43Å; Y1283-K1288 PolarHBondContact O-N 3.46Å; Y1283-V1291 HydrophobicContact CE2-CG2 4.23Å
1284N88Confident87.8Confident73 Ų7377.5 Ų77.539%0.3936%0.356SS..Iπ-helixtrans-64.2-35.7-176.8-78-26.7000113.5K1280 R1281 L1282K1280-N1284 WeakPolarHBondContact O-CB 3.26Å; K1280-N1284 VanDerWaalsContact O-CG 3.29Å; K1280-N1284 PolarHBondContact O-N 3.12Å; K1280-N1284 PolarHBondContact O-ND2 2.97Å; R1281-N1284 PolarHBondContact O-N 2.94Å; L1282-N1284 PolarHBondContact O-N 3.47Å
1285N84.5Confident88.1Confident132 Ų13275.2 Ų75.271%0.70634%0.343SS*.Iπ-helixtrans-76-36.4-176.7-71.5-12000112.5R1281 L1282 Y1283R1281-N1285 VanDerWaalsContact O-CG 3.27Å; R1281-N1285 PolarHBondContact O-N 3.37Å; R1281-N1285 VanDerWaalsContact O-N 3.08Å; R1281-N1285 PolarHBondContact O-ND2 3.29Å; L1282-N1285 PolarHBondContact O-N 3.19Å; Y1283-N1285 VanDerWaalsContact C-N 3.33Å; Y1283-N1285 PolarHBondContact O-N 3.27Å
1286E80.2Confident88.2Confident50 Ų5078 Ų7823%0.23436%0.358CS..Iπ-helixtrans-121.9-37.5-163.6-63.8171.4147.300113.5P1250 T1252 L1282P1250-E1286 HydrophobicContact CB-CB 4.49Å; P1250-E1286 HydrophobicContact CB-CG 4.27Å; P1250-E1286 WeakPolarHBondContact CB-OE1 3.44Å; P1250-E1286 WeakPolarHBondContact CB-OE2 3.35Å; P1250-E1286 WeakPolarHBondContact CG-OE2 3.34Å; T1252-E1286 VanDerWaalsContact CB-OE1 3.29Å; T1252-E1286 WeakPolarHBondContact CB-OE1 3.47Å; T1252-E1286 PolarHBondContact OG1-OE1 3.39Å; L1282-E1286 PolarHBondContact O-N 3.39Å
1287Y87.9Confident88.5Confident8 Ų878.8 Ų78.83%0.03136%0.361CS..Iπ-helixtrans-98-35.3-172.6-63.5-95.8000112.8L1244 I1245 C1248 P1250 L1257 Y1283 K1289 E1290 V1291L1244-Y1287 HydrophobicContact CG-CD1 4.49Å; I1245-Y1287 HydrophobicContact CG1-CD1 4.49Å; C1248-Y1287 HydrophobicContact CB-CE1 4.41Å; C1248-Y1287 PolarHBondContact O-OH 2.55Å; P1250-Y1287 HydrophobicContact CG-CE2 3.99Å; P1250-Y1287 WeakPolarHBondContact CG-OH 3.4Å; L1257-Y1287 HydrophobicContact CB-CE1 4.43Å; L1257-Y1287 HydrophobicContact CB-CE2 3.89Å; L1257-Y1287 PolarHBondContact N-OH 2.87Å; Y1283-Y1287 HydrophobicContact CD2-CG 4.41Å; Y1283-Y1287 PolarHBondContact O-N 2.9Å; Y1287-K1289 VanDerWaalsContact C-N 3.31Å; Y1287-K1289 PolarHBondContact O-N 3.49Å; Y1287-E1290 PolarHBondContact O-N 3.35Å; Y1287-V1291 WeakPolarHBondContact O-CG2 3.24Å; Y1287-V1291 PolarHBondContact O-N 3.21Å
1288K90.5Very high88.7Confident91 Ų9175.5 Ų75.540%0.39635%0.345SS..Hα-helixtrans-51.3-48.3-174.3178.6177.5173.5-1800112.6Y1283 E1290 V1291 E1292Y1283-K1288 HydrophobicContact CD1-CB 4.41Å; Y1283-K1288 HydrophobicContact CE1-CB 3.98Å; Y1283-K1288 HydrophobicContact CE1-CG 4.43Å; Y1283-K1288 PolarHBondContact O-N 3.46Å; K1288-E1290 PolarHBondContact O-N 3.47Å; K1288-V1291 PolarHBondContact O-N 2.93Å; K1288-E1292 WeakPolarHBondContact CE-OE1 3.45Å; K1288-E1292 WeakPolarHBondContact O-CG 3.28Å; K1288-E1292 PolarHBondContact O-N 3.27Å
1289K88.8Confident89Confident144 Ų14472.6 Ų72.663%0.62633%0.332SS*.Hα-helixtrans-63.1-39.5179.6-174.3179.1179.1-179.10112.6Y1287 E1292 Q1293Y1287-K1289 VanDerWaalsContact C-N 3.31Å; Y1287-K1289 PolarHBondContact O-N 3.49Å; K1289-E1292 PolarHBondContact O-N 2.96Å; K1289-Q1293 VanDerWaalsContact O-CG 3.3Å; K1289-Q1293 WeakPolarHBondContact O-CG 3.28Å; K1289-Q1293 PolarHBondContact O-N 2.77Å
1290E88.3Confident89.1Confident62 Ų6275.5 Ų75.529%0.2935%0.346SS..Hα-helixtrans-69.4-40.3178.7-177.463.7-164.100111.2L1244 Y1287 K1288 Q1293 R1294L1244-E1290 HydrophobicContact CD1-CG 4.04Å; L1244-E1290 HydrophobicContact CD2-CB 4.21Å; L1244-E1290 HydrophobicContact CD2-CG 3.58Å; L1244-E1290 HydrophobicContact CG-CG 4.47Å; Y1287-E1290 PolarHBondContact O-N 3.35Å; K1288-E1290 PolarHBondContact O-N 3.47Å; E1290-Q1293 PolarHBondContact O-N 3.46Å; E1290-R1294 WeakPolarHBondContact O-CG 3.43Å; E1290-R1294 PolarHBondContact O-N 3.46Å; E1290-R1294 IonicContact OE1-CZ 3.6Å; E1290-R1294 IonicContact OE1-NE 3.3Å; E1290-R1294 PolarHBondContact OE1-NE 3Å; E1290-R1294 IonicContact OE1-NH2 2.62Å; E1290-R1294 PolarHBondContact OE1-NH2 2.85Å
1291V91.3Very high89.2Confident22 Ų2273.7 Ų73.713%0.13334%0.339CS..Hα-helixtrans-61.8-45.9173.7176.30000110.7I1241 L1244 Y1283 Y1287 K1288 Q1293 R1294 L1295I1241-V1291 HydrophobicContact CD1-CB 4.48Å; I1241-V1291 HydrophobicContact CD1-CG1 4.21Å; I1241-V1291 HydrophobicContact CD1-CG2 4.27Å; I1241-V1291 HydrophobicContact CG2-CG1 4.44Å; I1241-V1291 HydrophobicContact CG2-CG2 4.07Å; L1244-V1291 HydrophobicContact CD2-CG2 4.22Å; Y1283-V1291 HydrophobicContact CE2-CG2 4.23Å; Y1287-V1291 WeakPolarHBondContact O-CG2 3.24Å; Y1287-V1291 PolarHBondContact O-N 3.21Å; K1288-V1291 PolarHBondContact O-N 2.93Å; V1291-Q1293 VanDerWaalsContact C-N 3.35Å; V1291-Q1293 PolarHBondContact O-N 3.45Å; V1291-R1294 PolarHBondContact O-N 3.45Å; V1291-L1295 WeakPolarHBondContact O-CB 3.28Å; V1291-L1295 PolarHBondContact O-N 3.18Å
1292E91.2Very high89.5Confident92 Ų9265.7 Ų65.743%0.4331%0.308SS..Hα-helixtrans-58.2-45.2175.4-75.1170.7-179.700111.6K1288 K1289 R1294 L1295 I1296K1288-E1292 WeakPolarHBondContact CE-OE1 3.45Å; K1288-E1292 WeakPolarHBondContact O-CG 3.28Å; K1288-E1292 PolarHBondContact O-N 3.27Å; K1289-E1292 PolarHBondContact O-N 2.96Å; E1292-R1294 PolarHBondContact O-N 2.87Å; E1292-L1295 PolarHBondContact O-N 3.11Å; E1292-I1296 VanDerWaalsContact O-CG1 3.31Å; E1292-I1296 WeakPolarHBondContact O-CG1 3.43Å; E1292-I1296 PolarHBondContact O-N 3.04Å
1293Q90.1Very high89.7Confident82 Ų8267.1 Ų67.138%0.38331%0.312SS..Hα-helixtrans-63.7-39.1177.6-74.8-179.1500112.9K1289 E1290 V1291 I1296 K1297K1289-Q1293 VanDerWaalsContact O-CG 3.3Å; K1289-Q1293 WeakPolarHBondContact O-CG 3.28Å; K1289-Q1293 PolarHBondContact O-N 2.77Å; E1290-Q1293 PolarHBondContact O-N 3.46Å; V1291-Q1293 VanDerWaalsContact C-N 3.35Å; V1291-Q1293 PolarHBondContact O-N 3.45Å; Q1293-I1296 PolarHBondContact O-N 3.46Å; Q1293-K1297 WeakPolarHBondContact O-CG 3.29Å; Q1293-K1297 PolarHBondContact O-N 2.92Å
1294R91.5Very high89.7Confident52 Ų5265.6 Ų65.620%0.19631%0.309CS..Hα-helixtrans-70.9-37.4176.9-71.5176.9-176.3-1519.6112.3F1237 E1240 I1241 E1290 V1291 E1292 I1296 K1297 F1298F1237-R1294 HydrophobicContact CE2-CB 4.04Å; E1240-R1294 VanDerWaalsContact OE1-CD 3.28Å; E1240-R1294 WeakPolarHBondContact OE1-CD 3.3Å; E1240-R1294 IonicContact OE1-CZ 3.92Å; E1240-R1294 IonicContact OE1-NE 2.82Å; E1240-R1294 IonicContact OE1-NH1 2.74Å; E1240-R1294 PolarHBondContact OE1-NH1 3.32Å; I1241-R1294 HydrophobicContact CD1-CB 3.99Å; E1290-R1294 WeakPolarHBondContact O-CG 3.43Å; E1290-R1294 PolarHBondContact O-N 3.46Å; E1290-R1294 IonicContact OE1-CZ 3.6Å; E1290-R1294 IonicContact OE1-NE 3.3Å; E1290-R1294 PolarHBondContact OE1-NE 3Å; E1290-R1294 IonicContact OE1-NH2 2.62Å; E1290-R1294 PolarHBondContact OE1-NH2 2.85Å; V1291-R1294 PolarHBondContact O-N 3.45Å; E1292-R1294 PolarHBondContact O-N 2.87Å; R1294-I1296 VanDerWaalsContact C-N 3.35Å; R1294-K1297 PolarHBondContact O-N 3.43Å; R1294-F1298 WeakPolarHBondContact O-CB 3.35Å; R1294-F1298 PolarHBondContact O-N 3.06Å
1295L92.1Very high90Very high67 Ų6762.5 Ų62.535%0.35129%0.292SS..Hα-helixtrans-61.7-44.4173-179.960.9000111.2F1237 V1291 E1292 K1297 F1298 I1299F1237-L1295 HydrophobicContact CE1-CD1 3.9Å; F1237-L1295 HydrophobicContact CE2-CB 4.33Å; F1237-L1295 HydrophobicContact CZ-CB 3.84Å; F1237-L1295 HydrophobicContact CZ-CD1 3.86Å; F1237-L1295 HydrophobicContact CZ-CG 4.44Å; V1291-L1295 WeakPolarHBondContact O-CB 3.28Å; V1291-L1295 PolarHBondContact O-N 3.18Å; E1292-L1295 PolarHBondContact O-N 3.11Å; L1295-K1297 VanDerWaalsContact C-N 3.34Å; L1295-K1297 PolarHBondContact O-N 3.23Å; L1295-F1298 HydrophobicContact CD1-CD1 4.45Å; L1295-F1298 WeakPolarHBondContact O-CB 3.49Å; L1295-F1298 PolarHBondContact O-N 3.23Å; L1295-I1299 HydrophobicContact CD1-CD1 4.41Å; L1295-I1299 HydrophobicContact CG-CD1 4.27Å; L1295-I1299 WeakPolarHBondContact O-CG1 3.44Å; L1295-I1299 PolarHBondContact O-N 3.04Å
1296I91.7Very high90.4Very high68 Ų6856.2 Ų56.235%0.34926%0.259SS..Hα-helixtrans-58.7-46.4174.5-72.1166.5000110.5E1292 Q1293 R1294 F1298 I1299 M1300 P1312E1292-I1296 VanDerWaalsContact O-CG1 3.31Å; E1292-I1296 WeakPolarHBondContact O-CG1 3.43Å; E1292-I1296 PolarHBondContact O-N 3.04Å; Q1293-I1296 PolarHBondContact O-N 3.46Å; R1294-I1296 VanDerWaalsContact C-N 3.35Å; I1296-F1298 VanDerWaalsContact C-N 3.33Å; I1296-F1298 PolarHBondContact O-N 3.31Å; I1296-I1299 PolarHBondContact O-N 2.58Å; I1296-M1300 HydrophobicContact CG2-CG 4.34Å; I1296-M1300 HydrophobicContact CG2-SD 3.98Å; I1296-M1300 WeakPolarHBondContact O-CB 3.24Å; I1296-M1300 VanDerWaalsContact O-CG 3.28Å; I1296-M1300 WeakPolarHBondContact O-CG 3.44Å; I1296-M1300 PolarHBondContact O-N 3.08Å; I1296-P1312 HydrophobicContact CD1-CG 4.13Å; I1296-P1312 HydrophobicContact CG1-CG 4.32Å; I1296-P1312 HydrophobicContact CG2-CG 3.46Å; I1296-P1312 VanDerWaalsContact CG2-CG 3.46Å
1297K90.6Very high91Very high134 Ų13454.9 Ų54.958%0.58326%0.255SS*.Hα-helixtrans-60.6-41.6176.3-73.7173.6-176.6173.20112.2Q1293 R1294 L1295 M1300 F1301Q1293-K1297 WeakPolarHBondContact O-CG 3.29Å; Q1293-K1297 PolarHBondContact O-N 2.92Å; R1294-K1297 PolarHBondContact O-N 3.43Å; L1295-K1297 VanDerWaalsContact C-N 3.34Å; L1295-K1297 PolarHBondContact O-N 3.23Å; K1297-M1300 PolarHBondContact O-N 2.94Å; K1297-F1301 VanDerWaalsContact O-CB 3.3Å; K1297-F1301 WeakPolarHBondContact O-CB 3.28Å; K1297-F1301 PolarHBondContact O-N 3.12Å
1298F93.2Very high91.1Very high18 Ų1855.6 Ų55.68%0.07926%0.258CS..Hα-helixtrans-59-48.6175.2171.2-94.7000111.5H1231 R1233 F1234 F1237 R1294 L1295 I1296 M1300 F1301 N1302 L1306H1231-F1298 HydrophobicContact CB-CZ 4.24Å; R1233-F1298 HydrophobicContact CB-CE2 3.94Å; F1234-F1298 HydrophobicContact CB-CZ 4.19Å; F1234-F1298 HydrophobicContact CD2-CE1 4.1Å; F1234-F1298 HydrophobicContact CD2-CZ 4.12Å; F1237-F1298 HydrophobicContact CB-CD2 3.76Å; F1237-F1298 HydrophobicContact CB-CE2 4.04Å; F1237-F1298 HydrophobicContact CB-CG 4.33Å; F1237-F1298 HydrophobicContact CD2-CB 4.03Å; F1237-F1298 HydrophobicContact CD2-CD2 4.46Å; F1237-F1298 HydrophobicContact CD2-CG 4.33Å; F1237-F1298 HydrophobicContact CE2-CB 4.42Å; F1237-F1298 HydrophobicContact CG-CB 4.42Å; F1237-F1298 HydrophobicContact CG-CD2 4.16Å; F1237-F1298 HydrophobicContact CG-CG 4.23Å; R1294-F1298 WeakPolarHBondContact O-CB 3.35Å; R1294-F1298 PolarHBondContact O-N 3.06Å; L1295-F1298 HydrophobicContact CD1-CD1 4.45Å; L1295-F1298 WeakPolarHBondContact O-CB 3.49Å; L1295-F1298 PolarHBondContact O-N 3.23Å; I1296-F1298 VanDerWaalsContact C-N 3.33Å; I1296-F1298 PolarHBondContact O-N 3.31Å; F1298-M1300 PolarHBondContact O-N 2.67Å; F1298-F1301 PolarHBondContact O-N 3.49Å; F1298-N1302 WeakPolarHBondContact CD2-ND2 3.41Å; F1298-N1302 VanDerWaalsContact CE2-ND2 3.27Å; F1298-N1302 WeakPolarHBondContact CE2-ND2 3.47Å; F1298-N1302 PolarHBondContact O-N 3.44Å; F1298-N1302 VanDerWaalsContact O-N 3.16Å; F1298-N1302 PolarHBondContact O-ND2 3.01Å; F1298-L1306 HydrophobicContact CE1-CD1 3.87Å; F1298-L1306 HydrophobicContact CZ-CD1 4.49Å
1299I92.4Very high91.1Very high22 Ų2253.1 Ų53.111%0.11325%0.247CC..Hα-helixtrans-62.8-44.7177.2-66.2170.3000110.6L1295 I1296 F1301 N1302 Y1303 Y1309L1295-I1299 HydrophobicContact CD1-CD1 4.41Å; L1295-I1299 HydrophobicContact CG-CD1 4.27Å; L1295-I1299 WeakPolarHBondContact O-CG1 3.44Å; L1295-I1299 PolarHBondContact O-N 3.04Å; I1296-I1299 PolarHBondContact O-N 2.58Å; I1299-F1301 VanDerWaalsContact C-N 3.34Å; I1299-F1301 PolarHBondContact O-N 3Å; I1299-N1302 CarbonylContact O-C 3.52Å; I1299-N1302 PolarHBondContact O-N 2.87Å; I1299-Y1303 WeakPolarHBondContact O-CA 3.28Å; I1299-Y1303 PolarHBondContact O-N 2.97Å; I1299-Y1309 HydrophobicContact CD1-CD1 4.19Å; I1299-Y1309 HydrophobicContact CD1-CG 4.43Å; I1299-Y1309 HydrophobicContact CG2-CG 4.42Å
1300M89.5Confident90.8Very high80 Ų8049.7 Ų49.739%0.39425%0.245SC..Hα-helixtrans-62.5-40.5179.1-72.5-176.583.400112.4I1296 K1297 F1298 N1302 Y1303I1296-M1300 HydrophobicContact CG2-CG 4.34Å; I1296-M1300 HydrophobicContact CG2-SD 3.98Å; I1296-M1300 WeakPolarHBondContact O-CB 3.24Å; I1296-M1300 VanDerWaalsContact O-CG 3.28Å; I1296-M1300 WeakPolarHBondContact O-CG 3.44Å; I1296-M1300 PolarHBondContact O-N 3.08Å; K1297-M1300 PolarHBondContact O-N 2.94Å; F1298-M1300 PolarHBondContact O-N 2.67Å; M1300-N1302 VanDerWaalsContact C-N 3.31Å; M1300-N1302 PolarHBondContact O-N 3.33Å; M1300-Y1303 WeakPolarHBondContact O-CB 3.39Å; M1300-Y1303 PolarHBondContact O-N 3.41Å
1301F90.4Very high90.1Very high83 Ų8349.3 Ų49.336%0.36424%0.243SC..Hα-helixtrans-66.6-34.1179.7-175.1-103.7000112.6R486 E492 T498 K1297 F1298 I1299R486-F1301 VanDerWaalsContact NH2-CZ 3.29Å; R486-F1301 PolarHBondContact NH2-O 3.48Å; E492-F1301 HydrophobicContact CG-CZ 4.44Å; T498-F1301 HydrophobicContact CG2-CE2 4.31Å; K1297-F1301 VanDerWaalsContact O-CB 3.3Å; K1297-F1301 WeakPolarHBondContact O-CB 3.28Å; K1297-F1301 PolarHBondContact O-N 3.12Å; F1298-F1301 PolarHBondContact O-N 3.49Å; I1299-F1301 VanDerWaalsContact C-N 3.34Å; I1299-F1301 PolarHBondContact O-N 3Å
1302N92.7Very high88.9Confident1 Ų151 Ų511%0.00525%0.254CS..THydrogen-bonded Turntrans-103.817.4-178-60.7-54.1000113.3R1233 F1298 I1299 M1300 N1304 L1305 L1306R1233-N1302 WeakPolarHBondContact CD-OD1 3.46Å; R1233-N1302 PolarHBondContact NH1-OD1 2.96Å; F1298-N1302 WeakPolarHBondContact CD2-ND2 3.41Å; F1298-N1302 VanDerWaalsContact CE2-ND2 3.27Å; F1298-N1302 WeakPolarHBondContact CE2-ND2 3.47Å; F1298-N1302 PolarHBondContact O-N 3.44Å; F1298-N1302 VanDerWaalsContact O-N 3.16Å; F1298-N1302 PolarHBondContact O-ND2 3.01Å; I1299-N1302 CarbonylContact O-C 3.52Å; I1299-N1302 PolarHBondContact O-N 2.87Å; M1300-N1302 VanDerWaalsContact C-N 3.31Å; M1300-N1302 PolarHBondContact O-N 3.33Å; N1302-N1304 PolarHBondContact O-N 3.48Å; N1302-N1304 VanDerWaalsContact O-N 3.1Å; N1302-N1304 PolarHBondContact O-OD1 2.93Å; N1302-L1305 PolarHBondContact O-N 2.81Å; N1302-L1306 HydrophobicContact CB-CD1 3.99Å; N1302-L1306 HydrophobicContact CB-CG 4.31Å; N1302-L1306 PolarHBondContact O-N 3.27Å
1303Y91Very high87.8Confident60 Ų6053.1 Ų53.124%0.23527%0.269CS..THydrogen-bonded Turntrans-62-25.8-168.6-174.3-103000114.4I1299 M1300 L1305 L1306 S1307 Y1309 K1311I1299-Y1303 WeakPolarHBondContact O-CA 3.28Å; I1299-Y1303 PolarHBondContact O-N 2.97Å; M1300-Y1303 WeakPolarHBondContact O-CB 3.39Å; M1300-Y1303 PolarHBondContact O-N 3.41Å; Y1303-L1305 PolarHBondContact O-N 3.44Å; Y1303-L1306 CarbonylContact O-C 3.59Å; Y1303-L1306 PolarHBondContact O-N 3.34Å; Y1303-S1307 VanDerWaalsContact O-CA 3.23Å; Y1303-S1307 WeakPolarHBondContact O-CA 3.38Å; Y1303-S1307 WeakPolarHBondContact O-CB 3.4Å; Y1303-S1307 PolarHBondContact O-N 2.83Å; Y1303-Y1309 WeakPolarHBondContact CE2-O 3.44Å; Y1303-K1311 HydrophobicContact CD2-CD 4.21Å; Y1303-K1311 HydrophobicContact CD2-CG 3.95Å; Y1303-K1311 HydrophobicContact CE1-CD 4.44Å; Y1303-K1311 VanDerWaalsContact CE1-NZ 3.27Å; Y1303-K1311 HydrophobicContact CE2-CD 4.05Å; Y1303-K1311 HydrophobicContact CE2-CG 3.71Å; Y1303-K1311 HydrophobicContact CG-CD 4.49Å; Y1303-K1311 VanDerWaalsContact CZ-CE 3.43Å
1304N88.9Confident86.3Confident36 Ų3655 Ų5519%0.19328%0.28CS..THydrogen-bonded Turntrans-63.8-26.8174.861.8-37.6000113.1P585 I589 N1302P585-N1304 WeakPolarHBondContact CB-O 3.46Å; I589-N1304 HydrophobicContact CD1-CB 3.96Å; N1302-N1304 PolarHBondContact O-N 3.48Å; N1302-N1304 VanDerWaalsContact O-N 3.1Å; N1302-N1304 PolarHBondContact O-OD1 2.93Å
1305L93.4Very high84.3Confident9 Ų960.3 Ų60.35%0.04732%0.318CS..THydrogen-bonded Turntrans-104.5-19.8176.4-63.6177.3000112.5A487 Y574 P585 I589 L590 N1302 Y1303A487-L1305 HydrophobicContact CB-CD1 4.23Å; A487-L1305 HydrophobicContact CB-CD2 4.13Å; Y574-L1305 PolarHBondContact OH-O 3.31Å; P585-L1305 WeakPolarHBondContact CG-O 3.31Å; I589-L1305 HydrophobicContact CG2-CD2 3.8Å; L590-L1305 HydrophobicContact CD2-CD2 3.96Å; N1302-L1305 PolarHBondContact O-N 2.81Å; Y1303-L1305 PolarHBondContact O-N 3.44Å
1306L93.8Very high83.9Confident0 Ų060 Ų600%032%0.317CS..  trans-115.737.3-179.7-60.9-178.5000112.3I572 L1227 A1228 F1298 N1302 Y1303 M1308 Y1309I572-L1306 HydrophobicContact CD1-CD2 4.08Å; L1227-L1306 HydrophobicContact CB-CD2 4.48Å; A1228-L1306 HydrophobicContact CB-CD1 4.16Å; A1228-L1306 HydrophobicContact CB-CD2 4.46Å; F1298-L1306 HydrophobicContact CE1-CD1 3.87Å; F1298-L1306 HydrophobicContact CZ-CD1 4.49Å; N1302-L1306 HydrophobicContact CB-CD1 3.99Å; N1302-L1306 HydrophobicContact CB-CG 4.31Å; N1302-L1306 PolarHBondContact O-N 3.27Å; Y1303-L1306 CarbonylContact O-C 3.59Å; Y1303-L1306 PolarHBondContact O-N 3.34Å; L1306-M1308 VanDerWaalsContact CA-SD 3.51Å; L1306-M1308 HydrophobicContact CB-SD 4.34Å; L1306-M1308 HydrophobicContact CD2-SD 4.41Å; L1306-M1308 PolarHBondContact O-N 3.34Å; L1306-M1308 VanDerWaalsContact O-N 3.17Å; L1306-Y1309 HydrophobicContact CB-CD2 3.83Å; L1306-Y1309 HydrophobicContact CB-CE2 4.3Å; L1306-Y1309 HydrophobicContact CD2-CD2 4.38Å; L1306-Y1309 HydrophobicContact CD2-CE2 3.97Å; L1306-Y1309 PolarHBondContact O-N 2.68Å
1307S90.9Very high83.5Confident21 Ų2159.6 Ų59.615%0.14732%0.315CS..THydrogen-bonded Turntrans-65.2-18.2-17450.60000114.6K583 A584 Y1303 Y1309K583-S1307 CarbonylContact O-C 3.52Å; K583-S1307 WeakPolarHBondContact O-CB 3.25Å; K583-S1307 PolarHBondContact O-OG 2.7Å; A584-S1307 PolarHBondContact O-OG 3.32Å; Y1303-S1307 VanDerWaalsContact O-CA 3.23Å; Y1303-S1307 WeakPolarHBondContact O-CA 3.38Å; Y1303-S1307 WeakPolarHBondContact O-CB 3.4Å; Y1303-S1307 PolarHBondContact O-N 2.83Å; S1307-Y1309 VanDerWaalsContact C-N 3.29Å
1308M91.3Very high83.1Confident23 Ų2355.4 Ų55.411%0.11330%0.3CS..THydrogen-bonded Turntrans-73.3-18.7176.868.8-62-64.700113.6Y574 L578 K583 P585 L1227 L1306Y574-M1308 HydrophobicContact CD1-CE 4.33Å; Y574-M1308 HydrophobicContact CE1-CE 3.85Å; L578-M1308 HydrophobicContact CD1-CB 4.36Å; L578-M1308 HydrophobicContact CD2-CE 3.73Å; K583-M1308 HydrophobicContact CB-CB 4.4Å; K583-M1308 PolarHBondContact O-N 3.44Å; P585-M1308 HydrophobicContact CG-CE 4.27Å; L1227-M1308 HydrophobicContact CD1-CE 3.71Å; L1227-M1308 HydrophobicContact CD1-CG 4.17Å; L1227-M1308 HydrophobicContact CD1-SD 4.05Å; L1306-M1308 VanDerWaalsContact CA-SD 3.51Å; L1306-M1308 HydrophobicContact CB-SD 4.34Å; L1306-M1308 HydrophobicContact CD2-SD 4.41Å; L1306-M1308 PolarHBondContact O-N 3.34Å; L1306-M1308 VanDerWaalsContact O-N 3.17Å
1309Y90.7Very high82.5Confident40 Ų4057.6 Ų57.616%0.15731%0.313CS..SBendtrans-81.5141.3175.8-66.9-95.4000111.2T1224 W1225 L1227 A1228 I1299 Y1303 L1306 S1307T1224-Y1309 PolarHBondContact O-OH 3.45Å; W1225-Y1309 PolarHBondContact O-OH 3.41Å; L1227-Y1309 HydrophobicContact CB-CE2 4.38Å; L1227-Y1309 PolarHBondContact N-OH 2.9Å; A1228-Y1309 HydrophobicContact CB-CE1 4.09Å; A1228-Y1309 HydrophobicContact CB-CE2 3.96Å; A1228-Y1309 VanDerWaalsContact CB-OH 3.23Å; A1228-Y1309 WeakPolarHBondContact CB-OH 3.33Å; A1228-Y1309 PolarHBondContact N-OH 2.98Å; I1299-Y1309 HydrophobicContact CD1-CD1 4.19Å; I1299-Y1309 HydrophobicContact CD1-CG 4.43Å; I1299-Y1309 HydrophobicContact CG2-CG 4.42Å; Y1303-Y1309 WeakPolarHBondContact CE2-O 3.44Å; L1306-Y1309 HydrophobicContact CB-CD2 3.83Å; L1306-Y1309 HydrophobicContact CB-CE2 4.3Å; L1306-Y1309 HydrophobicContact CD2-CD2 4.38Å; L1306-Y1309 HydrophobicContact CD2-CE2 3.97Å; L1306-Y1309 PolarHBondContact O-N 2.68Å; S1307-Y1309 VanDerWaalsContact C-N 3.29Å
1310A81.7Confident81.9Confident71 Ų7159.9 Ų59.959%0.58733%0.326SS*.PPolyproline II helixtrans-72.6136.217800000111.5V1315A1310-V1315 HydrophobicContact CB-CG2 3.84Å
1311K73.5Confident81.4Confident54 Ų5458.5 Ų58.524%0.23532%0.321CS..PPolyproline II helixtrans-84.6148.6168.1-63.6179.1174.9167.60109.8Y1303 D1313 L1314 V1315Y1303-K1311 HydrophobicContact CD2-CD 4.21Å; Y1303-K1311 HydrophobicContact CD2-CG 3.95Å; Y1303-K1311 HydrophobicContact CE1-CD 4.44Å; Y1303-K1311 VanDerWaalsContact CE1-NZ 3.27Å; Y1303-K1311 HydrophobicContact CE2-CD 4.05Å; Y1303-K1311 HydrophobicContact CE2-CG 3.71Å; Y1303-K1311 HydrophobicContact CG-CD 4.49Å; Y1303-K1311 VanDerWaalsContact CZ-CE 3.43Å; K1311-D1313 PolarHBondContact O-N 3.29Å; K1311-L1314 HydrophobicContact CB-CB 4.28Å; K1311-L1314 HydrophobicContact CB-CD1 3.88Å; K1311-L1314 HydrophobicContact CB-CG 4.22Å; K1311-L1314 HydrophobicContact CD-CD1 4.08Å; K1311-L1314 HydrophobicContact CG-CD1 4Å; K1311-L1314 WeakPolarHBondContact O-CB 3.49Å; K1311-L1314 PolarHBondContact O-N 3.12Å; K1311-V1315 PolarHBondContact O-N 2.79Å
1312P67.4Low80.7Confident58 Ų5856.8 Ų56.838%0.37732%0.318SS..G310 helixtrans-55.9-34.4169.4-21.230.2000112.8I1296 L1314 V1315I1296-P1312 HydrophobicContact CD1-CG 4.13Å; I1296-P1312 HydrophobicContact CG1-CG 4.32Å; I1296-P1312 HydrophobicContact CG2-CG 3.46Å; I1296-P1312 VanDerWaalsContact CG2-CG 3.46Å; P1312-L1314 PolarHBondContact O-N 3.04Å; P1312-V1315 PolarHBondContact O-N 3.39Å
1313D67.7Low79.8Confident137 Ų13761.1 Ų61.173%0.73334%0.342SS*.G310 helixtrans-70.8-10.8177.7-52.8-27.2000113.4K1311K1311-D1313 PolarHBondContact O-N 3.29Å
1314L57.6Low78.9Confident121 Ų12161.2 Ų61.263%0.63435%0.351SS*.G310 helixtrans-102.2-13.4178.7-78.4162.9000113.1K1311 P1312K1311-L1314 HydrophobicContact CB-CB 4.28Å; K1311-L1314 HydrophobicContact CB-CD1 3.88Å; K1311-L1314 HydrophobicContact CB-CG 4.22Å; K1311-L1314 HydrophobicContact CD-CD1 4.08Å; K1311-L1314 HydrophobicContact CG-CD1 4Å; K1311-L1314 WeakPolarHBondContact O-CB 3.49Å; K1311-L1314 PolarHBondContact O-N 3.12Å; P1312-L1314 PolarHBondContact O-N 3.04Å
1315V49.5Very low78Confident164 Ų16463.5 Ų63.599%0.99437%0.366SS*.  trans-105.90-179.5-178.40000108.9A1310 K1311 P1312A1310-V1315 HydrophobicContact CB-CG2 3.84Å; K1311-V1315 PolarHBondContact O-N 2.79Å; P1312-V1315 PolarHBondContact O-N 3.39Å

Retrieved 1,315 of 1,315 residues in 2693.5 ms (Link to these results)

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