A0A077ZJV4_TRITR Loading...

DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZJV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 964 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
1M70.3Confident86.2Confident206 Ų20685.3 Ų85.3100%1.01548%0.482SS*.  0120.70-167.7166.154.500106.6D5M1-D5 WeakPolarHBondContact CA-OD2 3.27Å; M1-D5 HydrophobicContact CG-CB 3.71Å
2T82Confident86.4Confident81 Ų8191.7 Ų91.750%0.49751%0.505SS..  trans-95.5171.2174.857.10000109.9D4 D5T2-D4 PolarHBondContact O-N 3.41Å; T2-D5 PolarHBondContact N-OD2 3.03Å; T2-D5 WeakPolarHBondContact O-CB 3.18Å; T2-D5 PolarHBondContact O-N 3.41Å; T2-D5 VanDerWaalsContact O-N 3.11Å; T2-D5 PolarHBondContact OG1-N 3.04Å
3A80.9Confident86.6Confident81 Ų8190.2 Ų90.267%0.66950%0.5SS*.G310 helixtrans-59.4-36.3170.900000111.2D5 M6A3-D5 PolarHBondContact O-N 3.43Å; A3-D5 VanDerWaalsContact O-N 3.15Å; A3-M6 VanDerWaalsContact O-CB 3.32Å; A3-M6 WeakPolarHBondContact O-CB 3.39Å; A3-M6 WeakPolarHBondContact O-CG 3.45Å; A3-M6 PolarHBondContact O-N 2.74Å
4D81Confident86.7Confident144 Ų14485.5 Ų85.577%0.7748%0.482SS*.G310 helixtrans-66.1-13.1176.7-47.9-32.6000113.8T2 M6T2-D4 PolarHBondContact O-N 3.41Å; D4-M6 VanDerWaalsContact C-N 3.3Å
5D87.7Confident87.1Confident41 Ų4188.8 Ų88.822%0.21949%0.492CS..G310 helixtrans-82.3-7.7174-72.1-41.6000112.9M1 T2 A3 K21M1-D5 WeakPolarHBondContact CA-OD2 3.27Å; M1-D5 HydrophobicContact CG-CB 3.71Å; T2-D5 PolarHBondContact N-OD2 3.03Å; T2-D5 WeakPolarHBondContact O-CB 3.18Å; T2-D5 PolarHBondContact O-N 3.41Å; T2-D5 VanDerWaalsContact O-N 3.11Å; T2-D5 PolarHBondContact OG1-N 3.04Å; A3-D5 PolarHBondContact O-N 3.43Å; A3-D5 VanDerWaalsContact O-N 3.15Å; D5-K21 HydrophobicContact CB-CD 4.02Å; D5-K21 WeakPolarHBondContact OD1-CE 3.35Å; D5-K21 IonicContact OD1-NZ 2.9Å; D5-K21 PolarHBondContact OD1-NZ 2.96Å; D5-K21 IonicContact OD2-NZ 3.43Å; D5-K21 PolarHBondContact OD2-NZ 3.19Å
6M87.3Confident87.3Confident137 Ų13787.8 Ų87.868%0.67549%0.489SS*.  trans-70.7141.9178.7-69.9-167.760.700111.6A3 D4A3-M6 VanDerWaalsContact O-CB 3.32Å; A3-M6 WeakPolarHBondContact O-CB 3.39Å; A3-M6 WeakPolarHBondContact O-CG 3.45Å; A3-M6 PolarHBondContact O-N 2.74Å; D4-M6 VanDerWaalsContact C-N 3.3Å
7V91Very high87.6Confident31 Ų3188.7 Ų88.719%0.18850%0.497CS..  trans-109.8117.7-178.9-173.50000108.4V9 V16 E18 K21 P23V7-V9 HydrophobicContact CG1-CG2 4.11Å; V7-V16 HydrophobicContact CG1-CB 4.26Å; V7-V16 HydrophobicContact CG1-CG1 3.55Å; V7-V16 HydrophobicContact CG1-CG2 3.75Å; V7-E18 CarbonylContact C-O 3.6Å; V7-E18 WeakPolarHBondContact CA-O 3.19Å; V7-K21 HydrophobicContact CG2-CB 3.87Å; V7-K21 WeakPolarHBondContact CG2-O 3.42Å; V7-P23 HydrophobicContact CB-CB 4.36Å; V7-P23 HydrophobicContact CG1-CB 4.07Å
8V92.1Very high87.8Confident70 Ų7091.3 Ų91.342%0.42450%0.504SS..EExtended strand (participates in β ladder)trans-85.7126175.9-175.80000108.1V16 V17 E18V8-V16 CarbonylContact O-C 3.55Å; V8-V17 HydrophobicContact CG1-CB 4.26Å; V8-V17 PolarHBondContact O-N 3.31Å; V8-E18 HydrophobicContact CB-CB 3.83Å; V8-E18 HydrophobicContact CG2-CB 3.88Å; V8-E18 PolarHBondContact N-O 2.89Å; V8-E18 PolarHBondContact O-N 2.89Å
9V92.5Very high87.7Confident31 Ų3188.4 Ų88.419%0.18850%0.498CS..EExtended strand (participates in β ladder)trans-123.4138.2-176.7-1780000109.6V7 I11 G14 E15 V16 P23 T27V7-V9 HydrophobicContact CG1-CG2 4.11Å; V9-I11 PolarHBondContact O-N 3.29Å; V9-G14 VanDerWaalsContact CG1-C 3.48Å; V9-G14 VanDerWaalsContact CG1-O 3.29Å; V9-G14 WeakPolarHBondContact CG1-O 3.49Å; V9-E15 WeakPolarHBondContact CA-O 3.29Å; V9-V16 HydrophobicContact CG2-CG2 4.39Å; V9-P23 HydrophobicContact CG2-CB 3.69Å; V9-P23 HydrophobicContact CG2-CG 4.24Å; V9-T27 HydrophobicContact CB-CG2 4.37Å; V9-T27 HydrophobicContact CG1-CG2 3.98Å; V9-T27 HydrophobicContact CG2-CG2 4.3Å
10S92.4Very high87.6Confident31 Ų3189.6 Ų89.622%0.21752%0.519CS..  trans-64.8124.2172.8172.60000110.5E12 T13 G14 E15 R31S10-E12 VanDerWaalsContact C-N 3.29Å; S10-E12 PolarHBondContact O-N 2.95Å; S10-E12 PolarHBondContact OG-N 3.3Å; S10-T13 WeakPolarHBondContact CB-OG1 3.43Å; S10-T13 PolarHBondContact OG-N 2.77Å; S10-T13 VanDerWaalsContact OG-N 3.13Å; S10-T13 PolarHBondContact OG-OG1 3.13Å; S10-G14 VanDerWaalsContact O-CA 3.24Å; S10-G14 WeakPolarHBondContact O-CA 3.24Å; S10-G14 PolarHBondContact O-N 3.24Å; S10-E15 PolarHBondContact N-O 3Å; S10-R31 PolarHBondContact O-NE 3.23Å
11I90.5Very high87.6Confident85 Ų8590.6 Ų90.644%0.43652%0.518SS..THydrogen-bonded Turntrans-62.4-41.3175.8-65.5174.9000109.9V9 R31 Y34 Q35V9-I11 PolarHBondContact O-N 3.29Å; I11-R31 PolarHBondContact O-NE 2.83Å; I11-R31 PolarHBondContact O-NH2 3.02Å; I11-R31 VanDerWaalsContact O-NH2 3.11Å; I11-Y34 HydrophobicContact CD1-CG 4.33Å; I11-Q35 HydrophobicContact CG2-CG 3.9Å; I11-Q35 PolarHBondContact O-NE2 2.8Å
12E88.5Confident88.5Confident162 Ų16290 Ų9076%0.75751%0.509SS*.THydrogen-bonded Turntrans-70.7-49.6-177.1-172174.6-172.300112.5S10 R31S10-E12 VanDerWaalsContact C-N 3.29Å; S10-E12 PolarHBondContact O-N 2.95Å; S10-E12 PolarHBondContact OG-N 3.3Å; E12-R31 VanDerWaalsContact C-NH2 3.29Å; E12-R31 PolarHBondContact O-NH2 3.36Å
13T90.1Very high88.9Confident73 Ų7388.5 Ų88.545%0.44850%0.501SS..THydrogen-bonded Turntrans-99-27.9-172.1650000114S10 E15 R31S10-T13 WeakPolarHBondContact CB-OG1 3.43Å; S10-T13 PolarHBondContact OG-N 2.77Å; S10-T13 VanDerWaalsContact OG-N 3.13Å; S10-T13 PolarHBondContact OG-OG1 3.13Å; T13-E15 VanDerWaalsContact C-N 3.26Å; T13-E15 PolarHBondContact OG1-N 3.49Å; T13-E15 PolarHBondContact OG1-OE2 3.45Å; T13-R31 PolarHBondContact O-NH2 2.83Å
14G88.1Confident89.3Confident24 Ų2488 Ų8825%0.24749%0.493CS..  trans82.82-174.500000114.5V9 S10 R31V9-G14 VanDerWaalsContact CG1-C 3.48Å; V9-G14 VanDerWaalsContact CG1-O 3.29Å; V9-G14 WeakPolarHBondContact CG1-O 3.49Å; S10-G14 VanDerWaalsContact O-CA 3.24Å; S10-G14 WeakPolarHBondContact O-CA 3.24Å; S10-G14 PolarHBondContact O-N 3.24Å; G14-R31 VanDerWaalsContact CA-NH1 3.33Å; G14-R31 VanDerWaalsContact N-NH2 3.15Å
15E91.4Very high89.7Confident135 Ų13585 Ų8563%0.63148%0.483SS*.  trans-75.8143.8177.3-63.9175.5147.500110.7V9 S10 T13 V17V9-E15 WeakPolarHBondContact CA-O 3.29Å; S10-E15 PolarHBondContact N-O 3Å; T13-E15 VanDerWaalsContact C-N 3.26Å; T13-E15 PolarHBondContact OG1-N 3.49Å; T13-E15 PolarHBondContact OG1-OE2 3.45Å; E15-V17 PolarHBondContact O-N 2.85Å
16V91.5Very high90Very high72 Ų7284.5 Ų84.544%0.43648%0.48SS..EExtended strand (participates in β ladder)trans-69.1121.7172.6175.70000108.7V7 V8 V9 E18 P23V7-V16 HydrophobicContact CG1-CB 4.26Å; V7-V16 HydrophobicContact CG1-CG1 3.55Å; V7-V16 HydrophobicContact CG1-CG2 3.75Å; V8-V16 CarbonylContact O-C 3.55Å; V9-V16 HydrophobicContact CG2-CG2 4.39Å; V16-E18 WeakPolarHBondContact CG1-O 3.11Å; V16-P23 HydrophobicContact CG2-CG 4.13Å
17V91.5Very high90.3Very high104 Ų10479.2 Ų79.263%0.6346%0.456SS*.EExtended strand (participates in β ladder)trans-93-36178-175.70000110.7V8 E15V8-V17 HydrophobicContact CG1-CB 4.26Å; V8-V17 PolarHBondContact O-N 3.31Å; E15-V17 PolarHBondContact O-N 2.85Å
18E91.6Very high90.5Very high135 Ų13579.4 Ų79.463%0.63146%0.457SS*.EExtended strand (participates in β ladder)trans-149.4147.2-180-168.1-178.6167.800110.7V7 V8 V16V7-E18 CarbonylContact C-O 3.6Å; V7-E18 WeakPolarHBondContact CA-O 3.19Å; V8-E18 HydrophobicContact CB-CB 3.83Å; V8-E18 HydrophobicContact CG2-CB 3.88Å; V8-E18 PolarHBondContact N-O 2.89Å; V8-E18 PolarHBondContact O-N 2.89Å; V16-E18 WeakPolarHBondContact CG1-O 3.11Å
19G86.4Confident90.7Very high37 Ų3776.1 Ų76.138%0.38144%0.437SS..  trans114.4149.5175.700000113.7
20A84.2Confident90.9Very high112 Ų11276.5 Ų76.593%0.92644%0.437SS*.SBendtrans-98.1-7.2-178.400000113.8
21K88.6Confident91Very high111 Ų11176.9 Ų76.948%0.48343%0.434SS..SBendtrans-98.9165.4-179.7-67.5-171.6172.7174.20110.8D5 V7D5-K21 HydrophobicContact CB-CD 4.02Å; D5-K21 WeakPolarHBondContact OD1-CE 3.35Å; D5-K21 IonicContact OD1-NZ 2.9Å; D5-K21 PolarHBondContact OD1-NZ 2.96Å; D5-K21 IonicContact OD2-NZ 3.43Å; D5-K21 PolarHBondContact OD2-NZ 3.19Å; V7-K21 HydrophobicContact CG2-CB 3.87Å; V7-K21 WeakPolarHBondContact CG2-O 3.42Å
22K89.3Confident91.3Very high194 Ų19473.5 Ų73.584%0.84342%0.417SS*.PPolyproline II helixtrans-75.6140.9171.4-66.7-176.1178.1-175.80109.2
23P89.4Confident91.7Very high48 Ų4865.8 Ų65.831%0.31238%0.381SS..PPolyproline II helixtrans-66.4169172.931.8-35.9000110.7V7 V9 V16 T27V7-P23 HydrophobicContact CB-CB 4.36Å; V7-P23 HydrophobicContact CG1-CB 4.07Å; V9-P23 HydrophobicContact CG2-CB 3.69Å; V9-P23 HydrophobicContact CG2-CG 4.24Å; V16-P23 HydrophobicContact CG2-CG 4.13Å; P23-T27 HydrophobicContact CB-CG2 4.45Å
24S89.3Confident91.9Very high72 Ų7265.5 Ų65.550%0.50337%0.372SS..PPolyproline II helixtrans-59149.3178.5-173.80000111.4D26 T27S24-D26 PolarHBondContact O-N 2.78Å; S24-D26 PolarHBondContact OG-N 3.23Å; S24-T27 PolarHBondContact N-OG1 2.85Å; S24-T27 VanDerWaalsContact O-CB 3.24Å; S24-T27 WeakPolarHBondContact O-CB 3.49Å; S24-T27 PolarHBondContact O-N 3.11Å; S24-T27 VanDerWaalsContact O-N 3.12Å; S24-T27 PolarHBondContact O-OG1 3.45Å
25S91.3Very high92.2Very high80 Ų8068.1 Ų68.156%0.55938%0.378SS*.THydrogen-bonded Turntrans-57.6-32.6169.547.10000111.9T27 P28 E92S25-T27 PolarHBondContact O-N 2.95Å; S25-P28 WeakPolarHBondContact O-CD 3.47Å; S25-E92 WeakPolarHBondContact O-CG 3.5Å
26D93.2Very high92.4Very high31 Ų3163.5 Ų63.517%0.16636%0.362CS..THydrogen-bonded Turntrans-77.81.4179.7-57.6-49.5000114.3S24 P28 T29 H30 H45S24-D26 PolarHBondContact O-N 2.78Å; S24-D26 PolarHBondContact OG-N 3.23Å; D26-P28 VanDerWaalsContact C-CD 3.46Å; D26-T29 WeakPolarHBondContact O-CB 3.46Å; D26-T29 PolarHBondContact O-N 2.83Å; D26-T29 VanDerWaalsContact O-N 3.14Å; D26-H30 PolarHBondContact O-CD2 3.28Å; D26-H30 PolarHBondContact O-N 3.11Å; D26-H45 IonicContact OD2-CD2 2.75Å; D26-H45 PolarHBondContact OD2-CD2 3.12Å
27T94Very high92.6Very high26 Ų2661.1 Ų61.116%0.1635%0.346CS..Hα-helixtrans-54.9-43.1-178.8-57.90000112.8V9 P23 S24 S25 T29 H30 R31V9-T27 HydrophobicContact CB-CG2 4.37Å; V9-T27 HydrophobicContact CG1-CG2 3.98Å; V9-T27 HydrophobicContact CG2-CG2 4.3Å; P23-T27 HydrophobicContact CB-CG2 4.45Å; S24-T27 PolarHBondContact N-OG1 2.85Å; S24-T27 VanDerWaalsContact O-CB 3.24Å; S24-T27 WeakPolarHBondContact O-CB 3.49Å; S24-T27 PolarHBondContact O-N 3.11Å; S24-T27 VanDerWaalsContact O-N 3.12Å; S24-T27 PolarHBondContact O-OG1 3.45Å; S25-T27 PolarHBondContact O-N 2.95Å; T27-T29 PolarHBondContact O-N 3.48Å; T27-H30 PolarHBondContact O-N 2.79Å; T27-R31 HydrophobicContact CG2-CG 4.23Å; T27-R31 WeakPolarHBondContact O-CB 3.14Å; T27-R31 VanDerWaalsContact O-CG 3.27Å; T27-R31 WeakPolarHBondContact O-CG 3.42Å; T27-R31 PolarHBondContact O-N 2.86Å
28P94.9Very high92.5Very high34 Ų3461.9 Ų61.922%0.22135%0.353CS..Hα-helixtrans-58.8-45175.6-23.836.4000112.7S25 D26 R31 L32 E92 W93S25-P28 WeakPolarHBondContact O-CD 3.47Å; D26-P28 VanDerWaalsContact C-CD 3.46Å; P28-R31 PolarHBondContact O-N 3.32Å; P28-L32 PolarHBondContact O-N 3.47Å; P28-L32 VanDerWaalsContact O-N 3.09Å; P28-E92 HydrophobicContact CB-CB 3.99Å; P28-E92 HydrophobicContact CG-CB 4.07Å; P28-W93 HydrophobicContact CB-CB 4.25Å; P28-W93 HydrophobicContact CB-CE3 4.17Å
29T96.4Very high92.3Very high1 Ų158.7 Ų58.71%0.00635%0.346CS..Hα-helixtrans-58-51.1175.8-43.10000110.8D26 T27 R31 L32 L33 E92 T95 I99 F124D26-T29 WeakPolarHBondContact O-CB 3.46Å; D26-T29 PolarHBondContact O-N 2.83Å; D26-T29 VanDerWaalsContact O-N 3.14Å; T27-T29 PolarHBondContact O-N 3.48Å; T29-R31 VanDerWaalsContact C-N 3.34Å; T29-R31 PolarHBondContact O-N 3.1Å; T29-L32 PolarHBondContact O-N 3.18Å; T29-L33 HydrophobicContact CG2-CD1 4.41Å; T29-L33 WeakPolarHBondContact O-CG 3.3Å; T29-L33 PolarHBondContact O-N 2.95Å; T29-L33 VanDerWaalsContact O-N 3.08Å; T29-E92 PolarHBondContact OG1-O 3.34Å; T29-T95 HydrophobicContact CG2-CG2 4.12Å; T29-I99 HydrophobicContact CG2-CD1 4.26Å; T29-F124 HydrophobicContact CG2-CD1 4.36Å; T29-F124 HydrophobicContact CG2-CE1 3.72Å; T29-F124 HydrophobicContact CG2-CZ 3.87Å
30H95.9Very high92.7Very high40 Ų4057.6 Ų57.619%0.18533%0.331CS..Hα-helixtrans-61.8-42.7-178.3-77.3-148.6000111.6D26 T27 L32 L33 Y34 I43 F124D26-H30 PolarHBondContact O-CD2 3.28Å; D26-H30 PolarHBondContact O-N 3.11Å; T27-H30 PolarHBondContact O-N 2.79Å; H30-L32 PolarHBondContact O-N 3.46Å; H30-L33 PolarHBondContact O-N 3.34Å; H30-Y34 HydrophobicContact CB-CD2 4.49Å; H30-Y34 HydrophobicContact CB-CE2 4.42Å; H30-Y34 WeakPolarHBondContact O-CD2 3.18Å; H30-Y34 PolarHBondContact O-N 3.08Å; H30-I43 HydrophobicContact CB-CD1 4.02Å; H30-I43 WeakPolarHBondContact NE2-CG2 3.34Å; H30-F124 AromaticContact CD2-CE1 3.97Å; H30-F124 AromaticContact NE2-CE1 3.88Å
31R95.6Very high93.1Very high38 Ų3854.1 Ų54.114%0.14331%0.306CS..Hα-helixtrans-58.9-47.7177.7-77.7178.560.8-133.5-5111.8S10 I11 E12 T13 G14 T27 P28 T29 L33 Y34 Q35 W93S10-R31 PolarHBondContact O-NE 3.23Å; I11-R31 PolarHBondContact O-NE 2.83Å; I11-R31 PolarHBondContact O-NH2 3.02Å; I11-R31 VanDerWaalsContact O-NH2 3.11Å; E12-R31 VanDerWaalsContact C-NH2 3.29Å; E12-R31 PolarHBondContact O-NH2 3.36Å; T13-R31 PolarHBondContact O-NH2 2.83Å; G14-R31 VanDerWaalsContact CA-NH1 3.33Å; G14-R31 VanDerWaalsContact N-NH2 3.15Å; T27-R31 HydrophobicContact CG2-CG 4.23Å; T27-R31 WeakPolarHBondContact O-CB 3.14Å; T27-R31 VanDerWaalsContact O-CG 3.27Å; T27-R31 WeakPolarHBondContact O-CG 3.42Å; T27-R31 PolarHBondContact O-N 2.86Å; P28-R31 PolarHBondContact O-N 3.32Å; T29-R31 VanDerWaalsContact C-N 3.34Å; T29-R31 PolarHBondContact O-N 3.1Å; R31-L33 VanDerWaalsContact C-N 3.3Å; R31-L33 PolarHBondContact O-N 3.06Å; R31-Y34 PolarHBondContact O-N 2.96Å; R31-Q35 VanDerWaalsContact O-CG 3.27Å; R31-Q35 WeakPolarHBondContact O-CG 3.38Å; R31-Q35 PolarHBondContact O-N 3.34Å; R31-W93 HydrophobicContact CB-CZ3 4.33Å
32L95.9Very high93.4Very high15 Ų1549 Ų498%0.07928%0.284CS..Hα-helixtrans-62.7-39.3179.3-177.656.6000111.7P28 T29 H30 Q35 A36 W93 N97 V100P28-L32 PolarHBondContact O-N 3.47Å; P28-L32 VanDerWaalsContact O-N 3.09Å; T29-L32 PolarHBondContact O-N 3.18Å; H30-L32 PolarHBondContact O-N 3.46Å; L32-Q35 PolarHBondContact O-N 3.39Å; L32-A36 VanDerWaalsContact O-CB 3.31Å; L32-A36 WeakPolarHBondContact O-CB 3.45Å; L32-A36 PolarHBondContact O-N 2.82Å; L32-W93 HydrophobicContact CB-CD2 4.44Å; L32-W93 HydrophobicContact CB-CE3 4.16Å; L32-W93 HydrophobicContact CB-CH2 4.14Å; L32-W93 HydrophobicContact CB-CZ2 4.41Å; L32-W93 HydrophobicContact CB-CZ3 4.01Å; L32-W93 HydrophobicContact CD1-CH2 4.02Å; L32-W93 HydrophobicContact CD1-CZ2 3.71Å; L32-W93 HydrophobicContact CD2-CD2 4.21Å; L32-W93 HydrophobicContact CD2-CG 4.47Å; L32-W93 HydrophobicContact CD2-CZ2 4.4Å; L32-W93 VanDerWaalsContact CD2-O 3.24Å; L32-W93 WeakPolarHBondContact CD2-O 3.37Å; L32-W93 HydrophobicContact CG-CZ2 4.4Å; L32-N97 HydrophobicContact CD2-CB 4.17Å; L32-N97 VanDerWaalsContact CD2-OD1 3.25Å; L32-N97 WeakPolarHBondContact CD2-OD1 3.42Å; L32-V100 HydrophobicContact CG-CG2 4.5Å
33L96.6Very high93.7Very high0 Ų040.6 Ų40.60%025%0.249CC..Hα-helixtrans-66.5-41.4175-64.7178.9000112.7T29 H30 R31 Q35 A36 F37 I43 I99 V100 F124T29-L33 HydrophobicContact CG2-CD1 4.41Å; T29-L33 WeakPolarHBondContact O-CG 3.3Å; T29-L33 PolarHBondContact O-N 2.95Å; T29-L33 VanDerWaalsContact O-N 3.08Å; H30-L33 PolarHBondContact O-N 3.34Å; R31-L33 VanDerWaalsContact C-N 3.3Å; R31-L33 PolarHBondContact O-N 3.06Å; L33-Q35 VanDerWaalsContact C-N 3.28Å; L33-Q35 PolarHBondContact O-N 2.75Å; L33-A36 PolarHBondContact O-N 2.99Å; L33-F37 HydrophobicContact CB-CD2 4.47Å; L33-F37 HydrophobicContact CD2-CD2 4.08Å; L33-F37 HydrophobicContact CD2-CE2 3.7Å; L33-F37 WeakPolarHBondContact O-CB 3.38Å; L33-F37 PolarHBondContact O-N 3.12Å; L33-I43 HydrophobicContact CB-CD1 3.7Å; L33-I43 HydrophobicContact CD1-CD1 4.16Å; L33-I43 HydrophobicContact CD1-CG2 4.48Å; L33-I99 HydrophobicContact CD1-CD1 4.24Å; L33-I99 HydrophobicContact CD2-CB 4.01Å; L33-I99 HydrophobicContact CD2-CD1 4.39Å; L33-I99 HydrophobicContact CD2-CG2 3.55Å; L33-V100 HydrophobicContact CD2-CG2 4.14Å; L33-F124 HydrophobicContact CD1-CD1 4.39Å
34Y95.8Very high94.1Very high66 Ų6639.6 Ų39.626%0.25924%0.242SC..Hα-helixtrans-61.6-36.3173.2-80.5-62.5000112.3I11 H30 R31 I40 G41 G42 I43I11-Y34 HydrophobicContact CD1-CG 4.33Å; H30-Y34 HydrophobicContact CB-CD2 4.49Å; H30-Y34 HydrophobicContact CB-CE2 4.42Å; H30-Y34 WeakPolarHBondContact O-CD2 3.18Å; H30-Y34 PolarHBondContact O-N 3.08Å; R31-Y34 PolarHBondContact O-N 2.96Å; Y34-I40 HydrophobicContact CD1-CB 4.18Å; Y34-I40 HydrophobicContact CD1-CG2 3.87Å; Y34-I40 WeakPolarHBondContact CD1-O 3.26Å; Y34-I40 HydrophobicContact CE1-CB 4.32Å; Y34-I40 HydrophobicContact CE1-CG2 3.6Å; Y34-I40 WeakPolarHBondContact CE1-O 3.5Å; Y34-G41 PolarHBondContact OH-O 3.44Å; Y34-G42 WeakPolarHBondContact OH-CA 3.45Å; Y34-I43 HydrophobicContact CD2-CD1 3.93Å; Y34-I43 HydrophobicContact CE1-CD1 4.5Å; Y34-I43 HydrophobicContact CE2-CD1 3.8Å; Y34-I43 HydrophobicContact CE2-CG1 4.26Å; Y34-I43 HydrophobicContact CG-CD1 4.3Å
35Q94.4Very high94.5Very high80 Ų8037.8 Ų37.837%0.37423%0.225SC..Hα-helixtrans-71.8-42.6177-70.8174.1-500112.1I11 R31 L32 L33I11-Q35 HydrophobicContact CG2-CG 3.9Å; I11-Q35 PolarHBondContact O-NE2 2.8Å; R31-Q35 VanDerWaalsContact O-CG 3.27Å; R31-Q35 WeakPolarHBondContact O-CG 3.38Å; R31-Q35 PolarHBondContact O-N 3.34Å; L32-Q35 PolarHBondContact O-N 3.39Å; L33-Q35 VanDerWaalsContact C-N 3.28Å; L33-Q35 PolarHBondContact O-N 2.75Å
36A94.8Very high94.6Very high38 Ų3836 Ų3631%0.31421%0.211SC..Hα-helixtrans-77.8-30.8-177.300000113.2L32 L33 P38 V100L32-A36 VanDerWaalsContact O-CB 3.31Å; L32-A36 WeakPolarHBondContact O-CB 3.45Å; L32-A36 PolarHBondContact O-N 2.82Å; L33-A36 PolarHBondContact O-N 2.99Å; A36-P38 WeakPolarHBondContact O-CD 3.41Å; A36-V100 HydrophobicContact CB-CB 4.38Å; A36-V100 HydrophobicContact CB-CG1 3.98Å; A36-V100 HydrophobicContact CB-CG2 3.4Å; A36-V100 VanDerWaalsContact CB-CG2 3.4Å
37F94.9Very high94.7Very high21 Ų2140 Ų409%0.09223%0.228CC..  trans-123.485-175.4-52.7-39.2000111.1L33 S39 I40 I99 V100 F103 A110 W126L33-F37 HydrophobicContact CB-CD2 4.47Å; L33-F37 HydrophobicContact CD2-CD2 4.08Å; L33-F37 HydrophobicContact CD2-CE2 3.7Å; L33-F37 WeakPolarHBondContact O-CB 3.38Å; L33-F37 PolarHBondContact O-N 3.12Å; F37-S39 PolarHBondContact O-N 2.89Å; F37-I40 HydrophobicContact CB-CD1 3.53Å; F37-I40 HydrophobicContact CB-CG1 3.76Å; F37-I40 HydrophobicContact CD2-CD1 3.67Å; F37-I40 HydrophobicContact CG-CD1 4.09Å; F37-I40 WeakPolarHBondContact O-CB 3.45Å; F37-I40 PolarHBondContact O-N 2.91Å; F37-I99 HydrophobicContact CE2-CG2 4.4Å; F37-V100 HydrophobicContact CE2-CG2 4.46Å; F37-V100 HydrophobicContact CZ-CG2 4.15Å; F37-F103 HydrophobicContact CE1-CB 4.28Å; F37-F103 HydrophobicContact CZ-CB 3.91Å; F37-F103 HydrophobicContact CZ-CD1 4.17Å; F37-F103 HydrophobicContact CZ-CD2 4.39Å; F37-F103 AromaticContact CZ-CG 3.88Å; F37-F103 HydrophobicContact CZ-CG 3.88Å; F37-A110 HydrophobicContact CB-CB 4.05Å; F37-A110 HydrophobicContact CD1-CB 3.56Å; F37-A110 HydrophobicContact CD2-CB 3.82Å; F37-A110 HydrophobicContact CE1-CB 3.89Å; F37-A110 HydrophobicContact CE2-CB 4.09Å; F37-A110 HydrophobicContact CG-CB 3.53Å; F37-A110 HydrophobicContact CZ-CB 4.14Å; F37-W126 HydrophobicContact CE2-CH2 4.32Å; F37-W126 HydrophobicContact CE2-CZ2 4.34Å
38P90.4Very high94.7Very high120 Ų12040 Ų4078%0.77923%0.229SC*.THydrogen-bonded Turntrans-61.5-14.5-175.2-25.534.6000115.6A36 I40A36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-I40 VanDerWaalsContact C-N 3.29Å
39S88Confident94.8Very high69 Ų6946.5 Ų46.548%0.48325%0.25SC..THydrogen-bonded Turntrans-78.1-11.2177.154.80000113.6F37F37-S39 PolarHBondContact O-N 2.89Å
40I93.7Very high94.8Very high14 Ų1447.3 Ų47.37%0.07225%0.253CS..  trans-80.3126.8-177.4-62.4-175.4000110.8Y34 F37 P38 G42 I43 W126Y34-I40 HydrophobicContact CD1-CB 4.18Å; Y34-I40 HydrophobicContact CD1-CG2 3.87Å; Y34-I40 WeakPolarHBondContact CD1-O 3.26Å; Y34-I40 HydrophobicContact CE1-CB 4.32Å; Y34-I40 HydrophobicContact CE1-CG2 3.6Å; Y34-I40 WeakPolarHBondContact CE1-O 3.5Å; F37-I40 HydrophobicContact CB-CD1 3.53Å; F37-I40 HydrophobicContact CB-CG1 3.76Å; F37-I40 HydrophobicContact CD2-CD1 3.67Å; F37-I40 HydrophobicContact CG-CD1 4.09Å; F37-I40 WeakPolarHBondContact O-CB 3.45Å; F37-I40 PolarHBondContact O-N 2.91Å; P38-I40 VanDerWaalsContact C-N 3.29Å; I40-G42 WeakPolarHBondContact CG2-O 3.47Å; I40-I43 HydrophobicContact CG2-CD1 4.11Å; I40-I43 HydrophobicContact CG2-CG1 3.56Å; I40-W126 HydrophobicContact CD1-CB 3.75Å; I40-W126 HydrophobicContact CD1-CD2 3.72Å; I40-W126 HydrophobicContact CD1-CE3 4.41Å; I40-W126 HydrophobicContact CD1-CG 3.39Å; I40-W126 HydrophobicContact CG1-CB 4.04Å; I40-W126 HydrophobicContact CG1-CG 3.81Å; I40-W126 HydrophobicContact CG2-CB 3.87Å
41G92.5Very high94.9Very high38 Ų3845.4 Ų45.439%0.39225%0.245SC..SBendtrans-111.3-12.1169.600000114.2Y34 G127 K128Y34-G41 PolarHBondContact OH-O 3.44Å; G41-G127 PolarHBondContact N-O 3.1Å; G41-K128 WeakPolarHBondContact CA-O 3.32Å
42G94.9Very high95Very high3 Ų344.2 Ų44.23%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-154.1145.9176.200000111.7Y34 I40 W126 G127 A133Y34-G42 WeakPolarHBondContact OH-CA 3.45Å; I40-G42 WeakPolarHBondContact CG2-O 3.47Å; G42-W126 CarbonylContact O-C 3.31Å; G42-W126 WeakPolarHBondContact O-CA 3.33Å; G42-W126 VanDerWaalsContact O-CB 3.27Å; G42-W126 WeakPolarHBondContact O-CB 3.06Å; G42-G127 PolarHBondContact N-O 3.22Å; G42-G127 PolarHBondContact O-N 3.33Å; G42-A133 VanDerWaalsContact O-CB 3.31Å; G42-A133 WeakPolarHBondContact O-CB 3.06Å
43I97.1Very high95.1Very high18 Ų1847.2 Ų47.29%0.09226%0.257CS..EExtended strand (participates in β ladder)trans-130.6137.2177.2-56.2171.5000108.9H30 L33 Y34 I40 F124 A125 W126H30-I43 HydrophobicContact CB-CD1 4.02Å; H30-I43 WeakPolarHBondContact NE2-CG2 3.34Å; L33-I43 HydrophobicContact CB-CD1 3.7Å; L33-I43 HydrophobicContact CD1-CD1 4.16Å; L33-I43 HydrophobicContact CD1-CG2 4.48Å; Y34-I43 HydrophobicContact CD2-CD1 3.93Å; Y34-I43 HydrophobicContact CE1-CD1 4.5Å; Y34-I43 HydrophobicContact CE2-CD1 3.8Å; Y34-I43 HydrophobicContact CE2-CG1 4.26Å; Y34-I43 HydrophobicContact CG-CD1 4.3Å; I40-I43 HydrophobicContact CG2-CD1 4.11Å; I40-I43 HydrophobicContact CG2-CG1 3.56Å; I43-F124 HydrophobicContact CG2-CD1 4.17Å; I43-A125 CarbonylContact C-O 3.57Å; I43-A125 WeakPolarHBondContact CA-O 3.27Å; I43-W126 HydrophobicContact CG1-CB 4.17Å
44V96.7Very high95.2Very high27 Ų2747.9 Ų47.916%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-124.6118.1175.9170.20000108.7T46 A125 A133 V134 A137V44-T46 HydrophobicContact CG1-CG2 3.48Å; V44-T46 VanDerWaalsContact CG1-CG2 3.48Å; V44-A125 PolarHBondContact N-O 2.88Å; V44-A125 PolarHBondContact O-N 2.9Å; V44-A133 HydrophobicContact CB-CB 4.44Å; V44-A133 HydrophobicContact CG2-CB 3.8Å; V44-V134 HydrophobicContact CG2-CB 4.36Å; V44-V134 HydrophobicContact CG2-CG2 3.59Å; V44-A137 HydrophobicContact CB-CB 4.25Å; V44-A137 HydrophobicContact CG1-CB 3.72Å
45H96.9Very high95.2Very high35 Ų3544.7 Ų44.716%0.16225%0.247CC..EExtended strand (participates in β ladder)trans-99.4132.5165178.645.7000108.9D26 H47 H121 P123 F124D26-H45 IonicContact OD2-CD2 2.75Å; D26-H45 PolarHBondContact OD2-CD2 3.12Å; H45-H47 AromaticContact CE1-NE2 3.79Å; H45-H47 AromaticContact NE2-CD2 3.69Å; H45-H47 AromaticContact NE2-NE2 3.28Å; H45-H47 PolarHBondContact NE2-NE2 3.38Å; H45-H121 AromaticContact CE1-CE1 3.41Å; H45-H121 PolarHBondContact CE1-CE1 3.17Å; H45-H121 VanDerWaalsContact CE1-CE1 3.41Å; H45-H121 AromaticContact CE1-ND1 3.91Å; H45-H121 AromaticContact CE1-NE2 3.91Å; H45-H121 AromaticContact NE2-CE1 3.39Å; H45-H121 PolarHBondContact NE2-CE1 3.4Å; H45-H121 AromaticContact NE2-NE2 3.65Å; H45-P123 PolarHBondContact ND1-O 2.97Å; H45-F124 HydrophobicContact CB-CD1 3.83Å; H45-F124 HydrophobicContact CB-CE1 3.55Å; H45-F124 HydrophobicContact CB-CG 4.46Å; H45-F124 HydrophobicContact CB-CZ 3.95Å; H45-F124 AromaticContact CE1-CE2 3.74Å; H45-F124 AromaticContact CE1-CZ 3.95Å; H45-F124 AromaticContact CG-CE1 3.69Å; H45-F124 AromaticContact CG-CE2 3.95Å; H45-F124 AromaticContact CG-CZ 3.53Å; H45-F124 AromaticContact ND1-CD2 3.71Å; H45-F124 AromaticContact ND1-CE1 3.92Å; H45-F124 AromaticContact ND1-CE2 3.35Å; H45-F124 WeakPolarHBondContact ND1-CE2 3.2Å; H45-F124 AromaticContact ND1-CZ 3.45Å; H45-F124 WeakPolarHBondContact ND1-CZ 3.46Å
46T93.5Very high95.4Very high42 Ų4246.6 Ų46.626%0.25826%0.256SS..  trans-139.1167.4174.178.10000110.4V44 S48 P123V44-T46 HydrophobicContact CG1-CG2 3.48Å; V44-T46 VanDerWaalsContact CG1-CG2 3.48Å; T46-S48 WeakPolarHBondContact OG1-CB 3.44Å; T46-S48 PolarHBondContact OG1-N 2.92Å; T46-S48 VanDerWaalsContact OG1-N 3.17Å; T46-P123 PolarHBondContact N-O 3.41Å; T46-P123 WeakPolarHBondContact O-CD 3.27Å; T46-P123 WeakPolarHBondContact O-CG 3.44Å
47H95.3Very high95.4Very high115 Ų11547.4 Ų47.453%0.53226%0.262SS..  trans-111.250.3162.6-69.9-110.3000109.7H45 T52 H121H45-H47 AromaticContact CE1-NE2 3.79Å; H45-H47 AromaticContact NE2-CD2 3.69Å; H45-H47 AromaticContact NE2-NE2 3.28Å; H45-H47 PolarHBondContact NE2-NE2 3.38Å; H47-T52 VanDerWaalsContact CA-OG1 3.32Å; H47-T52 WeakPolarHBondContact CA-OG1 3.24Å; H47-H121 AromaticContact CE1-CD2 3.82Å; H47-H121 AromaticContact CE1-NE2 3.83Å; H47-H121 AromaticContact NE2-NE2 3.83Å
48S94.2Very high95.5Very high26 Ų2647.6 Ų47.618%0.18227%0.27CS..  trans-61.1141.2177.770.90000110.5T46 H50 A51 T52 E141T46-S48 WeakPolarHBondContact OG1-CB 3.44Å; T46-S48 PolarHBondContact OG1-N 2.92Å; T46-S48 VanDerWaalsContact OG1-N 3.17Å; S48-H50 PolarHBondContact O-N 3.48Å; S48-A51 WeakPolarHBondContact OG-CB 3.35Å; S48-T52 WeakPolarHBondContact O-CB 3.19Å; S48-T52 PolarHBondContact O-N 3.11Å; S48-T52 PolarHBondContact O-OG1 2.87Å; S48-E141 VanDerWaalsContact CB-CD 3.44Å; S48-E141 WeakPolarHBondContact CB-OE2 3.31Å; S48-E141 PolarHBondContact OG-OE2 3.44Å
49R96.9Very high95.7Very high170 Ų17046.1 Ų46.164%0.64225%0.253SS*.Hα-helixtrans-55.9-52.4-160.9-175.617575.9-179.52.6112.7I53 E141R49-I53 HydrophobicContact CG-CD1 4.26Å; R49-I53 WeakPolarHBondContact O-CD1 3.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.4Å; R49-I53 PolarHBondContact O-N 2.87Å; R49-E141 PolarHBondContact N-OE1 3.2Å; R49-E141 VanDerWaalsContact N-OE1 3.11Å
50H97.8Very high96.1Very high19 Ų1944.6 Ų44.69%0.08824%0.243CC..Hα-helixtrans-82.6-42.3-170.8-51.897.8000112S48 T52 I53 W54 E141 A144 Y145 I148S48-H50 PolarHBondContact O-N 3.48Å; H50-T52 VanDerWaalsContact C-N 3.25Å; H50-T52 PolarHBondContact O-N 3.46Å; H50-I53 WeakPolarHBondContact O-CB 3.24Å; H50-I53 PolarHBondContact O-N 3.03Å; H50-I53 VanDerWaalsContact O-N 3.09Å; H50-W54 VanDerWaalsContact O-CD1 3.29Å; H50-W54 PolarHBondContact O-N 3.14Å; H50-W54 VanDerWaalsContact O-N 3.13Å; H50-E141 IonicContact CE1-OE1 3.5Å; H50-E141 IonicContact CG-OE1 3.48Å; H50-E141 PolarHBondContact N-OE1 2.94Å; H50-E141 PolarHBondContact N-OE2 2.82Å; H50-E141 VanDerWaalsContact N-OE2 3.09Å; H50-E141 IonicContact ND1-OE1 2.71Å; H50-E141 PolarHBondContact ND1-OE1 3.46Å; H50-A144 HydrophobicContact CB-CB 3.86Å; H50-Y145 AromaticContact CD2-CD2 3.68Å; H50-Y145 AromaticContact CE1-CD2 3.42Å; H50-Y145 VanDerWaalsContact CE1-CD2 3.42Å; H50-Y145 WeakPolarHBondContact CE1-CD2 3.45Å; H50-Y145 AromaticContact ND1-CD2 3.91Å; H50-Y145 AromaticContact NE2-CD2 3.29Å; H50-Y145 VanDerWaalsContact NE2-CD2 3.29Å; H50-Y145 WeakPolarHBondContact NE2-CD2 3.4Å; H50-Y145 AromaticContact NE2-CE2 3.94Å; H50-I148 HydrophobicContact CB-CD1 3.92Å
51A97.6Very high96.2Very high0 Ų044 Ų440%024%0.239CC..Hα-helixtrans-60.7-39.117600000111.2S48 I53 W54 A55 L117 P123 L140 E141 A144S48-A51 WeakPolarHBondContact OG-CB 3.35Å; A51-I53 PolarHBondContact O-N 2.93Å; A51-W54 PolarHBondContact O-N 3.04Å; A51-A55 WeakPolarHBondContact O-CB 3.46Å; A51-A55 PolarHBondContact O-N 3.15Å; A51-L117 HydrophobicContact CB-CD2 4.05Å; A51-P123 HydrophobicContact CB-CB 4.07Å; A51-P123 HydrophobicContact CB-CG 3.83Å; A51-L140 HydrophobicContact CB-CD2 3.89Å; A51-L140 HydrophobicContact CB-CG 4.37Å; A51-E141 PolarHBondContact N-OE2 2.98Å; A51-A144 HydrophobicContact CB-CB 4Å
52T97.9Very high96.3Very high13 Ų1342.6 Ų42.68%0.0822%0.223CC..Hα-helixtrans-64.4-37.7173.7-570000112.3H47 S48 H50 W54 A55 Q56 H121H47-T52 VanDerWaalsContact CA-OG1 3.32Å; H47-T52 WeakPolarHBondContact CA-OG1 3.24Å; S48-T52 WeakPolarHBondContact O-CB 3.19Å; S48-T52 PolarHBondContact O-N 3.11Å; S48-T52 PolarHBondContact O-OG1 2.87Å; H50-T52 VanDerWaalsContact C-N 3.25Å; H50-T52 PolarHBondContact O-N 3.46Å; T52-W54 VanDerWaalsContact C-N 3.34Å; T52-W54 PolarHBondContact O-N 3.38Å; T52-A55 WeakPolarHBondContact O-CB 3.44Å; T52-A55 PolarHBondContact O-N 3.43Å; T52-Q56 HydrophobicContact CG2-CG 4.17Å; T52-Q56 WeakPolarHBondContact O-CB 3.36Å; T52-Q56 VanDerWaalsContact O-CG 3.29Å; T52-Q56 WeakPolarHBondContact O-CG 3.44Å; T52-Q56 PolarHBondContact O-N 3.27Å; T52-H121 WeakPolarHBondContact CG2-O 3.43Å
53I97.8Very high96.2Very high78 Ų7842.5 Ų42.540%0.422%0.223SC..Hα-helixtrans-59.8-44174.3-73.3162.1000111R49 H50 A51 Q56 A57 I148R49-I53 HydrophobicContact CG-CD1 4.26Å; R49-I53 WeakPolarHBondContact O-CD1 3.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.4Å; R49-I53 PolarHBondContact O-N 2.87Å; H50-I53 WeakPolarHBondContact O-CB 3.24Å; H50-I53 PolarHBondContact O-N 3.03Å; H50-I53 VanDerWaalsContact O-N 3.09Å; A51-I53 PolarHBondContact O-N 2.93Å; I53-Q56 PolarHBondContact O-N 2.87Å; I53-A57 WeakPolarHBondContact O-CB 3.26Å; I53-A57 PolarHBondContact O-N 3.05Å; I53-I148 HydrophobicContact CB-CD1 4.26Å; I53-I148 HydrophobicContact CD1-CD1 4.3Å; I53-I148 HydrophobicContact CG2-CD1 4Å
54W97.6Very high96Very high13 Ų1343.5 Ų43.55%0.04923%0.229CC..Hα-helixtrans-64.3-42.7175.7-79.394.5000112.6H50 A51 T52 A57 G58 Q59 S60 I61 P62 L117 A144 R151H50-W54 VanDerWaalsContact O-CD1 3.29Å; H50-W54 PolarHBondContact O-N 3.14Å; H50-W54 VanDerWaalsContact O-N 3.13Å; A51-W54 PolarHBondContact O-N 3.04Å; T52-W54 VanDerWaalsContact C-N 3.34Å; T52-W54 PolarHBondContact O-N 3.38Å; W54-A57 PolarHBondContact O-N 2.72Å; W54-G58 PolarHBondContact O-N 3.39Å; W54-G58 VanDerWaalsContact O-N 3.13Å; W54-Q59 HydrophobicContact CE3-CB 3.78Å; W54-Q59 HydrophobicContact CZ3-CB 4.03Å; W54-Q59 PolarHBondContact O-N 3.27Å; W54-Q59 VanDerWaalsContact O-N 3.11Å; W54-S60 WeakPolarHBondContact CZ3-O 3.26Å; W54-I61 HydrophobicContact CB-CD1 4.39Å; W54-I61 HydrophobicContact CB-CG1 4.08Å; W54-I61 HydrophobicContact CD2-CG1 3.68Å; W54-I61 HydrophobicContact CE3-CG1 3.96Å; W54-I61 HydrophobicContact CG-CD1 4.17Å; W54-I61 HydrophobicContact CG-CG1 3.73Å; W54-I61 HydrophobicContact CZ2-CG2 4.43Å; W54-P62 HydrophobicContact CH2-CG 4.48Å; W54-L117 HydrophobicContact CB-CD1 3.45Å; W54-L117 VanDerWaalsContact CB-CD1 3.45Å; W54-L117 HydrophobicContact CG-CD1 4.49Å; W54-A144 PolarHBondContact NE1-O 3.44Å; W54-R151 HydrophobicContact CH2-CG 4.33Å; W54-R151 VanDerWaalsContact CH2-CZ 3.48Å
55A97.6Very high95.7Very high0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-60.8-45.2176.400000111.5A51 T52 A57 G58 L117 V118 S120A51-A55 WeakPolarHBondContact O-CB 3.46Å; A51-A55 PolarHBondContact O-N 3.15Å; T52-A55 WeakPolarHBondContact O-CB 3.44Å; T52-A55 PolarHBondContact O-N 3.43Å; A55-A57 VanDerWaalsContact C-N 3.33Å; A55-A57 PolarHBondContact O-N 2.96Å; A55-G58 PolarHBondContact O-N 2.62Å; A55-L117 HydrophobicContact CB-CB 3.97Å; A55-V118 WeakPolarHBondContact CB-O 3.41Å; A55-S120 PolarHBondContact O-N 2.92Å
56Q97.2Very high95.5Very high120 Ų12044.7 Ų44.756%0.56125%0.245SC*.Hα-helixtrans-67-32.2176.3-72.8178.1-10.900113.1T52 I53 G58T52-Q56 HydrophobicContact CG2-CG 4.17Å; T52-Q56 WeakPolarHBondContact O-CB 3.36Å; T52-Q56 VanDerWaalsContact O-CG 3.29Å; T52-Q56 WeakPolarHBondContact O-CG 3.44Å; T52-Q56 PolarHBondContact O-N 3.27Å; I53-Q56 PolarHBondContact O-N 2.87Å; Q56-G58 PolarHBondContact O-N 3.32Å
57A95.6Very high95.4Very high54 Ų5445.6 Ų45.645%0.44625%0.251SS..THydrogen-bonded Turntrans-72-11.7171.100000113.1I53 W54 A55 Q59I53-A57 WeakPolarHBondContact O-CB 3.26Å; I53-A57 PolarHBondContact O-N 3.05Å; W54-A57 PolarHBondContact O-N 2.72Å; A55-A57 VanDerWaalsContact C-N 3.33Å; A55-A57 PolarHBondContact O-N 2.96Å; A57-Q59 VanDerWaalsContact C-N 3.32Å; A57-Q59 HydrophobicContact CB-CG 4.26Å; A57-Q59 WeakPolarHBondContact O-CG 3.47Å
58G96.3Very high95.3Very high26 Ų2640.3 Ų40.327%0.26823%0.226SC..THydrogen-bonded Turntrans68.629.6-177.300000113.2W54 A55 Q56 H119W54-G58 PolarHBondContact O-N 3.39Å; W54-G58 VanDerWaalsContact O-N 3.13Å; A55-G58 PolarHBondContact O-N 2.62Å; Q56-G58 PolarHBondContact O-N 3.32Å; G58-H119 VanDerWaalsContact CA-CD2 3.41Å; G58-H119 WeakPolarHBondContact CA-CD2 3.3Å; G58-H119 WeakPolarHBondContact CA-NE2 3.13Å
59Q95Very high95.3Very high88 Ų8839.1 Ų39.141%0.41122%0.217SC..  trans-120.9134-172.4-63.4-172.938.100111.9W54 A57 C78W54-Q59 HydrophobicContact CE3-CB 3.78Å; W54-Q59 HydrophobicContact CZ3-CB 4.03Å; W54-Q59 PolarHBondContact O-N 3.27Å; W54-Q59 VanDerWaalsContact O-N 3.11Å; A57-Q59 VanDerWaalsContact C-N 3.32Å; A57-Q59 HydrophobicContact CB-CG 4.26Å; A57-Q59 WeakPolarHBondContact O-CG 3.47Å; Q59-C78 VanDerWaalsContact C-CB 3.42Å; Q59-C78 WeakPolarHBondContact O-CB 3.42Å
60S96.2Very high94.9Very high38 Ų3832.1 Ų32.127%0.26619%0.193SC..  trans-66.4149.6167.8-53.10000110.8W54 P62 T75 I76 C78W54-S60 WeakPolarHBondContact CZ3-O 3.26Å; S60-P62 WeakPolarHBondContact O-CD 3.16Å; S60-T75 VanDerWaalsContact CB-CG2 3.5Å; S60-I76 CarbonylContact C-O 3.59Å; S60-I76 VanDerWaalsContact CA-O 3.24Å; S60-I76 WeakPolarHBondContact CA-O 3.43Å; S60-I76 WeakPolarHBondContact CB-O 3.48Å; S60-C78 PolarHBondContact OG-N 3.13Å
61I95.6Very high94.6Very high1 Ų133.9 Ų33.91%0.00520%0.199CC..BIsolated β-bridgetrans-91.9112.7178.8-54166.8000108.9W54 H68 T75 I76 L117 V143 A144W54-I61 HydrophobicContact CB-CD1 4.39Å; W54-I61 HydrophobicContact CB-CG1 4.08Å; W54-I61 HydrophobicContact CD2-CG1 3.68Å; W54-I61 HydrophobicContact CE3-CG1 3.96Å; W54-I61 HydrophobicContact CG-CD1 4.17Å; W54-I61 HydrophobicContact CG-CG1 3.73Å; W54-I61 HydrophobicContact CZ2-CG2 4.43Å; I61-H68 PolarHBondContact O-CE1 3.34Å; I61-T75 WeakPolarHBondContact O-CA 2.98Å; I61-T75 WeakPolarHBondContact O-CG2 3.33Å; I61-I76 HydrophobicContact CB-CB 4.23Å; I61-I76 HydrophobicContact CB-CD1 4.26Å; I61-I76 HydrophobicContact CD1-CD1 4.28Å; I61-I76 PolarHBondContact N-O 3.45Å; I61-I76 PolarHBondContact O-N 2.77Å; I61-L117 HydrophobicContact CD1-CD1 3.85Å; I61-L117 HydrophobicContact CD1-CG 4.5Å; I61-L117 HydrophobicContact CG1-CD1 3.83Å; I61-V143 HydrophobicContact CG2-CG1 4.04Å; I61-A144 HydrophobicContact CD1-CB 3.72Å
62P93.9Very high94.5Very high8 Ų833.9 Ų33.95%0.05220%0.199CC..  trans-65.6149.3178.626.9-34.2000112.1W54 S60 T64 H68 D159W54-P62 HydrophobicContact CH2-CG 4.48Å; S60-P62 WeakPolarHBondContact O-CD 3.16Å; P62-T64 HydrophobicContact CB-CG2 3.99Å; P62-T64 HydrophobicContact CG-CG2 3.82Å; P62-T64 PolarHBondContact O-N 3.48Å; P62-H68 PolarHBondContact O-CE1 2.99Å; P62-H68 PolarHBondContact O-ND1 3.08Å; P62-D159 WeakPolarHBondContact CA-OD1 3.37Å; P62-D159 WeakPolarHBondContact CB-OD1 3.39Å
63A94.2Very high94.3Very high2 Ų236.6 Ų36.62%0.01721%0.208CC..  trans-78.685.2176.600000110.5D159 M160 L165A63-D159 PolarHBondContact N-OD1 3.46Å; A63-M160 HydrophobicContact CB-CG 4.46Å; A63-M160 HydrophobicContact CB-SD 4.46Å; A63-M160 VanDerWaalsContact O-CB 3.26Å; A63-M160 WeakPolarHBondContact O-CB 3.36Å; A63-M160 WeakPolarHBondContact O-CG 3.43Å; A63-M160 PolarHBondContact O-N 3.09Å; A63-L165 HydrophobicContact CB-CD1 4.46Å
64T92.1Very high94.1Very high38 Ų3833.5 Ų33.523%0.23320%0.196CC..  trans-98.6-5.5-171.255.80000114.8P62 L157P62-T64 HydrophobicContact CB-CG2 3.99Å; P62-T64 HydrophobicContact CG-CG2 3.82Å; P62-T64 PolarHBondContact O-N 3.48Å; T64-L157 HydrophobicContact CG2-CD2 3.63Å; T64-L157 HydrophobicContact CG2-CG 4.09Å
65G91.5Very high94Very high28 Ų2835.1 Ų35.129%0.28921%0.208SC..SBendtrans-159.8166.2-173.100000114.1T67 H68 A69G65-T67 VanDerWaalsContact C-N 3.34Å; G65-T67 PolarHBondContact O-N 3.42Å; G65-H68 VanDerWaalsContact O-CB 3.31Å; G65-H68 WeakPolarHBondContact O-CB 3.48Å; G65-H68 PolarHBondContact O-N 3.37Å; G65-H68 VanDerWaalsContact O-N 3.17Å; G65-A69 PolarHBondContact O-N 3.47Å
66T91.9Very high94Very high60 Ų6035.1 Ų35.137%0.36821%0.208SC..Hα-helixtrans-69.8-27.3-173.352.10000113.9H68 A69 D70 M160 L164 H168T66-H68 VanDerWaalsContact C-N 3.29Å; T66-H68 PolarHBondContact O-N 2.92Å; T66-A69 PolarHBondContact O-N 3.14Å; T66-D70 WeakPolarHBondContact O-CB 3.39Å; T66-D70 PolarHBondContact O-N 3.43Å; T66-M160 HydrophobicContact CG2-CE 4.31Å; T66-L164 HydrophobicContact CG2-CD2 4.33Å; T66-H168 VanDerWaalsContact CB-CE1 3.42Å; T66-H168 WeakPolarHBondContact CB-CE1 3.28Å; T66-H168 WeakPolarHBondContact CB-ND1 3.38Å; T66-H168 WeakPolarHBondContact CG2-CE1 3.15Å; T66-H168 VanDerWaalsContact CG2-NE2 3.34Å; T66-H168 WeakPolarHBondContact CG2-NE2 3.13Å
67T91.1Very high94Very high61 Ų6129.4 Ų29.437%0.37418%0.181SC..Hα-helixtrans-62.5-37.7171.9-50.40000111.7G65 Y71 M146G65-T67 VanDerWaalsContact C-N 3.34Å; G65-T67 PolarHBondContact O-N 3.42Å; T67-Y71 WeakPolarHBondContact O-CD2 3.34Å; T67-M146 HydrophobicContact CG2-CE 3.77Å
68H94.4Very high94.1Very high4 Ų427.3 Ų27.32%0.01916%0.163CC..Hα-helixtrans-66-54.9174-172.4139.8000109.9I61 P62 G65 T66 D70 Y71 F72 G74 I76 V143I61-H68 PolarHBondContact O-CE1 3.34Å; P62-H68 PolarHBondContact O-CE1 2.99Å; P62-H68 PolarHBondContact O-ND1 3.08Å; G65-H68 VanDerWaalsContact O-CB 3.31Å; G65-H68 WeakPolarHBondContact O-CB 3.48Å; G65-H68 PolarHBondContact O-N 3.37Å; G65-H68 VanDerWaalsContact O-N 3.17Å; T66-H68 VanDerWaalsContact C-N 3.29Å; T66-H68 PolarHBondContact O-N 2.92Å; H68-D70 PolarHBondContact O-N 3.34Å; H68-D70 VanDerWaalsContact O-N 3.09Å; H68-Y71 PolarHBondContact O-N 3.43Å; H68-F72 PolarHBondContact O-N 3.38Å; H68-G74 PolarHBondContact NE2-O 3.35Å; H68-I76 VanDerWaalsContact CE1-CD1 3.46Å; H68-I76 WeakPolarHBondContact CE1-CD1 3.41Å; H68-V143 HydrophobicContact CB-CG1 3.96Å; H68-V143 HydrophobicContact CB-CG2 4.07Å; H68-V143 WeakPolarHBondContact ND1-CG1 3.31Å
69A93Very high94.2Very high0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-59.6-23.1-17700000114.9G65 T66 Y71 M160 L165 H168 Y169G65-A69 PolarHBondContact O-N 3.47Å; T66-A69 PolarHBondContact O-N 3.14Å; A69-Y71 PolarHBondContact O-N 3.26Å; A69-M160 HydrophobicContact CB-CE 4Å; A69-M160 HydrophobicContact CB-SD 3.69Å; A69-L165 HydrophobicContact CB-CD1 3.46Å; A69-L165 VanDerWaalsContact CB-CD1 3.46Å; A69-H168 HydrophobicContact CB-CB 3.6Å; A69-Y169 VanDerWaalsContact O-CA 3.28Å; A69-Y169 WeakPolarHBondContact O-CA 3.32Å; A69-Y169 VanDerWaalsContact O-CB 3.29Å; A69-Y169 WeakPolarHBondContact O-CB 3.4Å; A69-Y169 WeakPolarHBondContact O-CD2 3.15Å; A69-Y169 PolarHBondContact O-N 3.41Å
70D89.1Confident94.3Very high23 Ų2325.8 Ų25.812%0.12315%0.146CC..THydrogen-bonded Turntrans-72-15.5178.8-93.115.9000113T66 H68 H168 R171 K172 H173T66-D70 WeakPolarHBondContact O-CB 3.39Å; T66-D70 PolarHBondContact O-N 3.43Å; H68-D70 PolarHBondContact O-N 3.34Å; H68-D70 VanDerWaalsContact O-N 3.09Å; D70-H168 IonicContact OD1-CG 2.72Å; D70-H168 IonicContact OD1-ND1 3.21Å; D70-H168 PolarHBondContact OD1-ND1 3.01Å; D70-R171 IonicContact OD1-CZ 3.27Å; D70-R171 IonicContact OD1-NE 2.64Å; D70-R171 IonicContact OD1-NH2 3.03Å; D70-R171 PolarHBondContact OD1-NH2 3.21Å; D70-R171 IonicContact OD2-NH2 2.98Å; D70-R171 PolarHBondContact OD2-NH2 3.03Å; D70-K172 HydrophobicContact CB-CD 3.99Å; D70-K172 VanDerWaalsContact CG-NZ 3.29Å; D70-K172 WeakPolarHBondContact O-CD 3.33Å; D70-K172 WeakPolarHBondContact OD2-CE 3.43Å; D70-K172 IonicContact OD2-NZ 3.36Å; D70-K172 PolarHBondContact OD2-NZ 2.98Å; D70-H173 PolarHBondContact O-NE2 3Å
71Y91.8Very high94.3Very high57 Ų5731 Ų3122%0.22416%0.164CC..THydrogen-bonded Turntrans-134.4-32-174.4-64.3-88.1000114.8T67 H68 A69 P114 H135 V139T67-Y71 WeakPolarHBondContact O-CD2 3.34Å; H68-Y71 PolarHBondContact O-N 3.43Å; A69-Y71 PolarHBondContact O-N 3.26Å; Y71-P114 WeakPolarHBondContact O-CD 3.31Å; Y71-H135 AromaticContact CE1-CD2 3.72Å; Y71-H135 AromaticContact CE1-NE2 3.21Å; Y71-H135 WeakPolarHBondContact CE1-NE2 3.2Å; Y71-H135 AromaticContact CZ-NE2 3.5Å; Y71-H135 PolarHBondContact OH-NE2 3.25Å; Y71-V139 HydrophobicContact CD1-CG2 4.18Å; Y71-V139 HydrophobicContact CD2-CB 4.4Å; Y71-V139 HydrophobicContact CD2-CG1 3.49Å; Y71-V139 VanDerWaalsContact CD2-CG1 3.49Å; Y71-V139 HydrophobicContact CD2-CG2 4.09Å; Y71-V139 HydrophobicContact CE1-CG2 4.09Å; Y71-V139 HydrophobicContact CE2-CG1 4.04Å; Y71-V139 HydrophobicContact CE2-CG2 3.95Å; Y71-V139 HydrophobicContact CG-CB 4.39Å; Y71-V139 HydrophobicContact CG-CG1 3.74Å; Y71-V139 HydrophobicContact CG-CG2 4.18Å
72F94.7Very high94.3Very high0 Ų032.3 Ų32.30%017%0.17CC..SBendtrans-120.9121.5-179.1-59.9-84.5000109.4H68 G74 I76 M113 P114 V139 L140H68-F72 PolarHBondContact O-N 3.38Å; F72-G74 PolarHBondContact O-N 2.85Å; F72-G74 VanDerWaalsContact O-N 3.1Å; F72-I76 HydrophobicContact CB-CD1 4.32Å; F72-I76 HydrophobicContact CB-CG1 3.91Å; F72-I76 HydrophobicContact CD1-CD1 4.22Å; F72-I76 HydrophobicContact CD1-CG1 3.83Å; F72-I76 HydrophobicContact CD2-CD1 3.87Å; F72-I76 HydrophobicContact CD2-CG1 4.27Å; F72-I76 HydrophobicContact CE1-CG1 4.42Å; F72-I76 HydrophobicContact CE2-CD1 4.21Å; F72-I76 HydrophobicContact CG-CD1 3.88Å; F72-I76 HydrophobicContact CG-CG1 3.74Å; F72-M113 HydrophobicContact CB-CE 4.05Å; F72-M113 HydrophobicContact CB-SD 3.78Å; F72-M113 HydrophobicContact CD1-SD 3.61Å; F72-M113 HydrophobicContact CG-SD 4.14Å; F72-P114 HydrophobicContact CD1-CG 4.01Å; F72-P114 HydrophobicContact CE1-CG 3.86Å; F72-V139 HydrophobicContact CE2-CB 4.38Å; F72-V139 HydrophobicContact CE2-CG1 3.93Å; F72-L140 HydrophobicContact CE1-CD1 4.01Å; F72-L140 HydrophobicContact CE2-CB 4.36Å; F72-L140 HydrophobicContact CE2-CD1 4.35Å; F72-L140 HydrophobicContact CZ-CB 3.92Å; F72-L140 HydrophobicContact CZ-CD1 3.73Å; F72-L140 HydrophobicContact CZ-CG 4.47Å
73Y93.8Very high94.4Very high69 Ų6935.1 Ų35.127%0.27119%0.187SC..SBendtrans-8582.2-178.1-165.7-129.9000112Q112 M113 L165 D166 Y169Y73-Q112 PolarHBondContact N-O 3.41Å; Y73-M113 WeakPolarHBondContact O-CE 3.48Å; Y73-L165 HydrophobicContact CD2-CD1 4.31Å; Y73-L165 HydrophobicContact CD2-CD2 4.41Å; Y73-L165 HydrophobicContact CD2-CG 4.03Å; Y73-L165 HydrophobicContact CE2-CD2 4.43Å; Y73-L165 HydrophobicContact CE2-CG 4.04Å; Y73-D166 WeakPolarHBondContact CE2-OD1 3.27Å; Y73-D166 PolarHBondContact OH-OD1 2.89Å; Y73-Y169 HydrophobicContact CD1-CD1 4.39Å; Y73-Y169 VanDerWaalsContact CD2-CB 3.44Å; Y73-Y169 AromaticContact CD2-CD1 3.4Å; Y73-Y169 HydrophobicContact CD2-CD1 3.4Å; Y73-Y169 AromaticContact CD2-CD2 3.99Å; Y73-Y169 HydrophobicContact CD2-CD2 3.99Å; Y73-Y169 HydrophobicContact CD2-CE1 4.2Å; Y73-Y169 AromaticContact CD2-CG 3.3Å; Y73-Y169 HydrophobicContact CD2-CG 3.3Å; Y73-Y169 HydrophobicContact CE2-CD1 4.01Å; Y73-Y169 HydrophobicContact CE2-CG 4.12Å; Y73-Y169 AromaticContact CG-CD1 3.63Å; Y73-Y169 HydrophobicContact CG-CD1 3.63Å; Y73-Y169 HydrophobicContact CG-CD2 4.18Å; Y73-Y169 AromaticContact CG-CE1 3.96Å; Y73-Y169 HydrophobicContact CG-CE1 3.96Å; Y73-Y169 HydrophobicContact CG-CE2 4.47Å; Y73-Y169 AromaticContact CG-CG 3.78Å; Y73-Y169 HydrophobicContact CG-CG 3.78Å
74G93.9Very high94.4Very high14 Ų1441 Ų4114%0.14422%0.218CC..SBendtrans105.7-161.4179.500000112.1H68 F72 I76 M113H68-G74 PolarHBondContact NE2-O 3.35Å; F72-G74 PolarHBondContact O-N 2.85Å; F72-G74 VanDerWaalsContact O-N 3.1Å; G74-I76 PolarHBondContact O-N 3.43Å; G74-M113 WeakPolarHBondContact O-CE 3.5Å
75T95.4Very high94.6Very high47 Ų4743 Ų4329%0.28824%0.239SC..PPolyproline II helixtrans-69.3128.3-176.1-71.50000111.5S60 I61 P77 M113S60-T75 VanDerWaalsContact CB-CG2 3.5Å; I61-T75 WeakPolarHBondContact O-CA 2.98Å; I61-T75 WeakPolarHBondContact O-CG2 3.33Å; T75-P77 WeakPolarHBondContact O-CD 3.4Å; T75-M113 WeakPolarHBondContact O-CE 3.48Å
76I97.4Very high94.8Very high0 Ų043 Ų430%023%0.231CC..BIsolated β-bridgetrans-72.4117.5175.2-60.9152.6000108.6S60 I61 H68 F72 G74 M113 L140 V143S60-I76 CarbonylContact C-O 3.59Å; S60-I76 VanDerWaalsContact CA-O 3.24Å; S60-I76 WeakPolarHBondContact CA-O 3.43Å; S60-I76 WeakPolarHBondContact CB-O 3.48Å; I61-I76 HydrophobicContact CB-CB 4.23Å; I61-I76 HydrophobicContact CB-CD1 4.26Å; I61-I76 HydrophobicContact CD1-CD1 4.28Å; I61-I76 PolarHBondContact N-O 3.45Å; I61-I76 PolarHBondContact O-N 2.77Å; H68-I76 VanDerWaalsContact CE1-CD1 3.46Å; H68-I76 WeakPolarHBondContact CE1-CD1 3.41Å; F72-I76 HydrophobicContact CB-CD1 4.32Å; F72-I76 HydrophobicContact CB-CG1 3.91Å; F72-I76 HydrophobicContact CD1-CD1 4.22Å; F72-I76 HydrophobicContact CD1-CG1 3.83Å; F72-I76 HydrophobicContact CD2-CD1 3.87Å; F72-I76 HydrophobicContact CD2-CG1 4.27Å; F72-I76 HydrophobicContact CE1-CG1 4.42Å; F72-I76 HydrophobicContact CE2-CD1 4.21Å; F72-I76 HydrophobicContact CG-CD1 3.88Å; F72-I76 HydrophobicContact CG-CG1 3.74Å; G74-I76 PolarHBondContact O-N 3.43Å; I76-M113 HydrophobicContact CB-SD 4.2Å; I76-M113 HydrophobicContact CG1-SD 3.79Å; I76-M113 HydrophobicContact CG2-SD 4.47Å; I76-L140 HydrophobicContact CD1-CD1 3.78Å; I76-L140 HydrophobicContact CG1-CD1 4.37Å; I76-L140 HydrophobicContact CG2-CD1 3.83Å; I76-V143 HydrophobicContact CD1-CG1 3.88Å
77P97.7Very high94.9Very high0 Ų043.9 Ų43.90%023%0.233CC..PPolyproline II helixtrans-72.8143.9-170.828.3-33.8000112T75 T102 F103 I108 M113 V116 L117T75-P77 WeakPolarHBondContact O-CD 3.4Å; P77-T102 HydrophobicContact CB-CG2 3.88Å; P77-T102 HydrophobicContact CG-CG2 4.49Å; P77-F103 HydrophobicContact CG-CE2 3.81Å; P77-F103 HydrophobicContact CG-CZ 4.04Å; P77-I108 HydrophobicContact CB-CD1 4.02Å; P77-I108 HydrophobicContact CG-CD1 3.8Å; P77-M113 HydrophobicContact CG-CG 4.47Å; P77-V116 HydrophobicContact CG-CG2 4.15Å; P77-V116 WeakPolarHBondContact O-CG2 3.42Å; P77-L117 PolarHBondContact O-N 2.91Å
78C98Very high94.9Very high10 Ų1047.6 Ų47.67%0.06825%0.25CS..BIsolated β-bridgetrans-102.9133.2159.9-169.30000108.9Q59 S60 L117Q59-C78 VanDerWaalsContact C-CB 3.42Å; Q59-C78 WeakPolarHBondContact O-CB 3.42Å; S60-C78 PolarHBondContact OG-N 3.13Å; C78-L117 CarbonylContact C-O 3.47Å; C78-L117 VanDerWaalsContact CA-O 3.24Å; C78-L117 WeakPolarHBondContact CA-O 3.39Å; C78-L117 HydrophobicContact CB-CB 4.03Å
79T98.1Very high94.8Very high5 Ų549.6 Ų49.63%0.03127%0.272CS..PPolyproline II helixtrans-64.4166.1-179.168.70000111.3V98 I99 V116 L117 V118 H119T79-V98 HydrophobicContact CG2-CG1 4.05Å; T79-I99 HydrophobicContact CG2-CG1 4.04Å; T79-V116 HydrophobicContact CG2-CG2 3.88Å; T79-L117 PolarHBondContact N-O 3.27Å; T79-V118 HydrophobicContact CG2-CG2 4.31Å; T79-V118 WeakPolarHBondContact OG1-CA 3.43Å; T79-H119 WeakPolarHBondContact O-CB 3.35Å; T79-H119 PolarHBondContact OG1-N 2.66Å
80R96.4Very high94.7Very high77 Ų7756 Ų5629%0.29130%0.302SS..PPolyproline II helixtrans-66.2168.7163.362165.8176.684.2-3.8110.9E86 V98 E101R80-E86 IonicContact CZ-OE1 3.08Å; R80-E86 IonicContact CZ-OE2 3.73Å; R80-E86 IonicContact NH1-OE1 3.49Å; R80-E86 PolarHBondContact NH1-OE1 3.25Å; R80-E86 IonicContact NH1-OE2 3.44Å; R80-E86 PolarHBondContact NH1-OE2 3.34Å; R80-E86 IonicContact NH2-OE1 3.07Å; R80-E86 PolarHBondContact NH2-OE1 2.72Å; R80-E86 IonicContact NH2-OE2 2.8Å; R80-V98 HydrophobicContact CG-CG1 4.19Å; R80-E101 IonicContact CZ-OE1 3.88Å; R80-E101 IonicContact CZ-OE2 3.34Å; R80-E101 IonicContact NE-OE1 3.12Å; R80-E101 PolarHBondContact NE-OE1 3.2Å; R80-E101 IonicContact NE-OE2 2.7Å; R80-E101 PolarHBondContact NE-OE2 3.01Å; R80-E101 IonicContact NH2-OE1 3.77Å; R80-E101 IonicContact NH2-OE2 3.5Å; R80-E101 PolarHBondContact NH2-OE2 3.4Å
81K96.6Very high94.9Very high147 Ų14758.8 Ų58.864%0.63931%0.311SS*.PPolyproline II helixtrans-62.8139.1164.7-63.1-178.7-178.1-178.50109.6H119K81-H119 WeakPolarHBondContact CE-NE2 3.34Å
82M95Very high95Very high28 Ų2859.1 Ų59.114%0.13832%0.315CS..PPolyproline II helixtrans-67.4145.4167-59.8-176.670.100109.4E86 I87 Y91 E94 V98M82-E86 WeakPolarHBondContact CA-OE2 3.34Å; M82-E86 HydrophobicContact CB-CB 4.29Å; M82-E86 HydrophobicContact CE-CB 3.88Å; M82-I87 HydrophobicContact CB-CD1 4.18Å; M82-I87 HydrophobicContact CB-CG1 3.8Å; M82-Y91 HydrophobicContact CE-CD2 3.94Å; M82-Y91 HydrophobicContact CE-CE2 4.12Å; M82-Y91 HydrophobicContact SD-CD2 4.12Å; M82-Y91 HydrophobicContact SD-CE2 3.66Å; M82-E94 HydrophobicContact CE-CB 3.66Å; M82-V98 HydrophobicContact CG-CG2 4.2Å
83T96Very high95.1Very high67 Ų6762.3 Ų62.341%0.41133%0.327SS..PPolyproline II helixtrans-79.6160.5175.364.40000110.6A85 E86 I87T83-A85 PolarHBondContact O-N 2.84Å; T83-E86 PolarHBondContact N-OE2 2.81Å; T83-E86 PolarHBondContact O-N 2.73Å; T83-E86 VanDerWaalsContact O-N 3.1Å; T83-E86 VanDerWaalsContact OG1-CD 3.31Å; T83-E86 VanDerWaalsContact OG1-CG 3.3Å; T83-E86 WeakPolarHBondContact OG1-CG 3.47Å; T83-E86 PolarHBondContact OG1-N 2.78Å; T83-E86 PolarHBondContact OG1-OE2 3.41Å; T83-E86 VanDerWaalsContact OG1-OE2 3.06Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 2.66Å
84D95Very high95.2Very high126 Ų12661.4 Ų61.467%0.67433%0.325SS*.Hα-helixtrans-58-32.9176.5-65.2-20.9000112.2N88D84-N88 WeakPolarHBondContact O-CB 3.24Å; D84-N88 PolarHBondContact O-N 3.29Å; D84-N88 PolarHBondContact O-ND2 3.43Å
85A95.6Very high95.4Very high80 Ų8060.8 Ų60.866%0.66132%0.319SS*.Hα-helixtrans-67.7-41.8176.800000112.1T83 G89T83-A85 PolarHBondContact O-N 2.84Å; A85-G89 PolarHBondContact O-N 2.98Å
86E95.8Very high95.4Very high28 Ų2858.6 Ų58.613%0.13131%0.305CS..Hα-helixtrans-67.3-37.5176.4-70.9163.6160.800111.7R80 M82 T83 E94R80-E86 IonicContact CZ-OE1 3.08Å; R80-E86 IonicContact CZ-OE2 3.73Å; R80-E86 IonicContact NH1-OE1 3.49Å; R80-E86 PolarHBondContact NH1-OE1 3.25Å; R80-E86 IonicContact NH1-OE2 3.44Å; R80-E86 PolarHBondContact NH1-OE2 3.34Å; R80-E86 IonicContact NH2-OE1 3.07Å; R80-E86 PolarHBondContact NH2-OE1 2.72Å; R80-E86 IonicContact NH2-OE2 2.8Å; M82-E86 WeakPolarHBondContact CA-OE2 3.34Å; M82-E86 HydrophobicContact CB-CB 4.29Å; M82-E86 HydrophobicContact CE-CB 3.88Å; T83-E86 PolarHBondContact N-OE2 2.81Å; T83-E86 PolarHBondContact O-N 2.73Å; T83-E86 VanDerWaalsContact O-N 3.1Å; T83-E86 VanDerWaalsContact OG1-CD 3.31Å; T83-E86 VanDerWaalsContact OG1-CG 3.3Å; T83-E86 WeakPolarHBondContact OG1-CG 3.47Å; T83-E86 PolarHBondContact OG1-N 2.78Å; T83-E86 PolarHBondContact OG1-OE2 3.41Å; T83-E86 VanDerWaalsContact OG1-OE2 3.06Å; E86-E94 HydrophobicContact CB-CB 3.88Å; E86-E94 HydrophobicContact CB-CG 4.16Å; E86-E94 HydrophobicContact CG-CB 4.14Å; E86-E94 HydrophobicContact CG-CG 4.23Å
87I93.7Very high95.4Very high79 Ų7961 Ų6141%0.40532%0.318SS..Hα-helixtrans-69.1-40.5178.4-65.9166.4000111.7M82 T83 G89M82-I87 HydrophobicContact CB-CD1 4.18Å; M82-I87 HydrophobicContact CB-CG1 3.8Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 2.66Å; I87-G89 VanDerWaalsContact C-N 3.33Å
88N92.4Very high95.4Very high139 Ų13961.1 Ų61.174%0.74332%0.319SS*.Hα-helixtrans-85.7-4.9-179.5-67.7-61.3000113.5D84D84-N88 WeakPolarHBondContact O-CB 3.24Å; D84-N88 PolarHBondContact O-N 3.29Å; D84-N88 PolarHBondContact O-ND2 3.43Å
89G90.6Very high95.4Very high46 Ų4660.6 Ų60.647%0.47432%0.315SS..SBendtrans-92.6-142.1176.700000112.7A85 I87 Y91A85-G89 PolarHBondContact O-N 2.98Å; I87-G89 VanDerWaalsContact C-N 3.33Å; G89-Y91 PolarHBondContact O-N 3.42Å
90E91.2Very high95.3Very high135 Ų13561 Ų6163%0.63132%0.318SS*.SBendtrans-77.673.2173.2-67.4-71.3147.400109.7E92 W93 E94E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.03Å; E90-E92 VanDerWaalsContact O-N 3.11Å; E90-W93 HydrophobicContact CB-CB 3.84Å; E90-W93 WeakPolarHBondContact O-CA 3.36Å; E90-W93 WeakPolarHBondContact O-CB 3.44Å; E90-W93 PolarHBondContact O-N 2.96Å; E90-E94 WeakPolarHBondContact O-CG 3.39Å; E90-E94 PolarHBondContact O-N 3.45Å
91Y93Very high95.4Very high80 Ų8059.1 Ų59.131%0.31431%0.312SS..Hα-helixtrans-45.1-47.3-169.2174.1-107.4000114.5M82 G89 E94 T95M82-Y91 HydrophobicContact CE-CD2 3.94Å; M82-Y91 HydrophobicContact CE-CE2 4.12Å; M82-Y91 HydrophobicContact SD-CD2 4.12Å; M82-Y91 HydrophobicContact SD-CE2 3.66Å; G89-Y91 PolarHBondContact O-N 3.42Å; Y91-E94 PolarHBondContact O-N 3.19Å; Y91-T95 WeakPolarHBondContact O-CB 3.44Å; Y91-T95 PolarHBondContact O-N 3.18Å; Y91-T95 PolarHBondContact O-OG1 3.45Å
92E95.1Very high95.4Very high64 Ų6452.4 Ų52.430%0.29928%0.284SS..Hα-helixtrans-70.2-39.7-179.6-64.487.4169.700112.1S25 P28 T29 E90 T95 G96S25-E92 WeakPolarHBondContact O-CG 3.5Å; P28-E92 HydrophobicContact CB-CB 3.99Å; P28-E92 HydrophobicContact CG-CB 4.07Å; T29-E92 PolarHBondContact OG1-O 3.34Å; E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.03Å; E90-E92 VanDerWaalsContact O-N 3.11Å; E92-T95 WeakPolarHBondContact O-CB 3.27Å; E92-T95 PolarHBondContact O-N 3.21Å; E92-G96 PolarHBondContact O-N 2.69Å
93W95.7Very high95.5Very high68 Ų6851.2 Ų51.226%0.25828%0.278SS..Hα-helixtrans-64.8-44.1174.1-173.8-93.8000111.3P28 R31 L32 E90 T95 G96 N97P28-W93 HydrophobicContact CB-CB 4.25Å; P28-W93 HydrophobicContact CB-CE3 4.17Å; R31-W93 HydrophobicContact CB-CZ3 4.33Å; L32-W93 HydrophobicContact CB-CD2 4.44Å; L32-W93 HydrophobicContact CB-CE3 4.16Å; L32-W93 HydrophobicContact CB-CH2 4.14Å; L32-W93 HydrophobicContact CB-CZ2 4.41Å; L32-W93 HydrophobicContact CB-CZ3 4.01Å; L32-W93 HydrophobicContact CD1-CH2 4.02Å; L32-W93 HydrophobicContact CD1-CZ2 3.71Å; L32-W93 HydrophobicContact CD2-CD2 4.21Å; L32-W93 HydrophobicContact CD2-CG 4.47Å; L32-W93 HydrophobicContact CD2-CZ2 4.4Å; L32-W93 VanDerWaalsContact CD2-O 3.24Å; L32-W93 WeakPolarHBondContact CD2-O 3.37Å; L32-W93 HydrophobicContact CG-CZ2 4.4Å; E90-W93 HydrophobicContact CB-CB 3.84Å; E90-W93 WeakPolarHBondContact O-CA 3.36Å; E90-W93 WeakPolarHBondContact O-CB 3.44Å; E90-W93 PolarHBondContact O-N 2.96Å; W93-T95 VanDerWaalsContact C-N 3.28Å; W93-T95 PolarHBondContact O-N 3.38Å; W93-G96 WeakPolarHBondContact O-CA 3.29Å; W93-G96 PolarHBondContact O-N 3.03Å; W93-N97 PolarHBondContact O-N 3.42Å
94E96.8Very high95.4Very high49 Ų4955 Ų5523%0.22929%0.291CS..Hα-helixtrans-67.2-29.6177.8-64.5-54.7152.400112.4M82 E86 E90 Y91 G96 N97 V98M82-E94 HydrophobicContact CE-CB 3.66Å; E86-E94 HydrophobicContact CB-CB 3.88Å; E86-E94 HydrophobicContact CB-CG 4.16Å; E86-E94 HydrophobicContact CG-CB 4.14Å; E86-E94 HydrophobicContact CG-CG 4.23Å; E90-E94 WeakPolarHBondContact O-CG 3.39Å; E90-E94 PolarHBondContact O-N 3.45Å; Y91-E94 PolarHBondContact O-N 3.19Å; E94-G96 VanDerWaalsContact C-N 3.28Å; E94-G96 PolarHBondContact O-N 2.9Å; E94-N97 PolarHBondContact O-N 3.27Å; E94-N97 PolarHBondContact OE1-ND2 2.95Å; E94-N97 PolarHBondContact OE2-ND2 2.89Å; E94-V98 WeakPolarHBondContact O-CB 3.41Å; E94-V98 VanDerWaalsContact O-CG2 3.26Å; E94-V98 WeakPolarHBondContact O-CG2 3.44Å; E94-V98 PolarHBondContact O-N 2.83Å
95T97Very high95.4Very high2 Ų256.4 Ų56.41%0.01229%0.291CS..Hα-helixtrans-58.9-43.5169.5-61.90000110.5T29 Y91 E92 W93 V98 I99 V118 F124T29-T95 HydrophobicContact CG2-CG2 4.12Å; Y91-T95 WeakPolarHBondContact O-CB 3.44Å; Y91-T95 PolarHBondContact O-N 3.18Å; Y91-T95 PolarHBondContact O-OG1 3.45Å; E92-T95 WeakPolarHBondContact O-CB 3.27Å; E92-T95 PolarHBondContact O-N 3.21Å; W93-T95 VanDerWaalsContact C-N 3.28Å; W93-T95 PolarHBondContact O-N 3.38Å; T95-V98 PolarHBondContact O-N 2.97Å; T95-I99 HydrophobicContact CG2-CD1 4.44Å; T95-I99 WeakPolarHBondContact O-CG1 3.49Å; T95-I99 PolarHBondContact O-N 3.35Å; T95-I99 VanDerWaalsContact O-N 3.13Å; T95-V118 HydrophobicContact CG2-CG1 4.07Å; T95-V118 HydrophobicContact CG2-CG2 4.17Å; T95-F124 HydrophobicContact CG2-CE2 4.44Å
96G97Very high95.3Very high0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-64.7-41.3174.400000112.5E92 W93 E94 V98 I99 V100E92-G96 PolarHBondContact O-N 2.69Å; W93-G96 WeakPolarHBondContact O-CA 3.29Å; W93-G96 PolarHBondContact O-N 3.03Å; E94-G96 VanDerWaalsContact C-N 3.28Å; E94-G96 PolarHBondContact O-N 2.9Å; G96-V98 VanDerWaalsContact C-N 3.3Å; G96-V98 PolarHBondContact O-N 3.27Å; G96-I99 WeakPolarHBondContact O-CB 3.36Å; G96-I99 PolarHBondContact O-N 2.93Å; G96-V100 WeakPolarHBondContact O-CG2 3.43Å; G96-V100 PolarHBondContact O-N 2.82Å
97N97Very high95.2Very high52 Ų5259.5 Ų59.528%0.27831%0.31SS..Hα-helixtrans-61.1-42.6177.6-81.8-35.6000110.8L32 W93 E94 I99 V100 E101L32-N97 HydrophobicContact CD2-CB 4.17Å; L32-N97 VanDerWaalsContact CD2-OD1 3.25Å; L32-N97 WeakPolarHBondContact CD2-OD1 3.42Å; W93-N97 PolarHBondContact O-N 3.42Å; E94-N97 PolarHBondContact O-N 3.27Å; E94-N97 PolarHBondContact OE1-ND2 2.95Å; E94-N97 PolarHBondContact OE2-ND2 2.89Å; N97-I99 VanDerWaalsContact C-N 3.3Å; N97-I99 PolarHBondContact O-N 2.88Å; N97-V100 PolarHBondContact O-N 2.76Å; N97-E101 WeakPolarHBondContact O-CB 3.41Å; N97-E101 PolarHBondContact O-N 2.79Å
98V97.4Very high95.2Very high1 Ų157.6 Ų57.61%0.00630%0.301CS..Hα-helixtrans-65.9-33.9179.1168.80000111.5T79 R80 M82 E94 T95 G96 T102T79-V98 HydrophobicContact CG2-CG1 4.05Å; R80-V98 HydrophobicContact CG-CG1 4.19Å; M82-V98 HydrophobicContact CG-CG2 4.2Å; E94-V98 WeakPolarHBondContact O-CB 3.41Å; E94-V98 VanDerWaalsContact O-CG2 3.26Å; E94-V98 WeakPolarHBondContact O-CG2 3.44Å; E94-V98 PolarHBondContact O-N 2.83Å; T95-V98 PolarHBondContact O-N 2.97Å; G96-V98 VanDerWaalsContact C-N 3.3Å; G96-V98 PolarHBondContact O-N 3.27Å; V98-T102 WeakPolarHBondContact O-CB 3.11Å; V98-T102 PolarHBondContact O-N 3.4Å; V98-T102 VanDerWaalsContact O-N 3.09Å; V98-T102 PolarHBondContact O-OG1 2.96Å
99I97.7Very high95.2Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-65.8-52.8170.8-67.4165.3000110.3T29 L33 F37 T79 T95 G96 N97 E101 T102 F103 V116 V118 F124 W126T29-I99 HydrophobicContact CG2-CD1 4.26Å; L33-I99 HydrophobicContact CD1-CD1 4.24Å; L33-I99 HydrophobicContact CD2-CB 4.01Å; L33-I99 HydrophobicContact CD2-CD1 4.39Å; L33-I99 HydrophobicContact CD2-CG2 3.55Å; F37-I99 HydrophobicContact CE2-CG2 4.4Å; T79-I99 HydrophobicContact CG2-CG1 4.04Å; T95-I99 HydrophobicContact CG2-CD1 4.44Å; T95-I99 WeakPolarHBondContact O-CG1 3.49Å; T95-I99 PolarHBondContact O-N 3.35Å; T95-I99 VanDerWaalsContact O-N 3.13Å; G96-I99 WeakPolarHBondContact O-CB 3.36Å; G96-I99 PolarHBondContact O-N 2.93Å; N97-I99 VanDerWaalsContact C-N 3.3Å; N97-I99 PolarHBondContact O-N 2.88Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.14Å; I99-T102 WeakPolarHBondContact O-CB 3.37Å; I99-T102 PolarHBondContact O-N 3.43Å; I99-F103 HydrophobicContact CG2-CD2 4.28Å; I99-F103 HydrophobicContact CG2-CE2 4.33Å; I99-F103 WeakPolarHBondContact O-CD2 3.45Å; I99-F103 PolarHBondContact O-N 2.86Å; I99-F103 VanDerWaalsContact O-N 3.13Å; I99-V116 HydrophobicContact CD1-CG1 4.06Å; I99-V116 HydrophobicContact CG1-CG1 3.99Å; I99-V116 HydrophobicContact CG2-CB 4.49Å; I99-V116 HydrophobicContact CG2-CG1 3.83Å; I99-V116 HydrophobicContact CG2-CG2 4.47Å; I99-V118 HydrophobicContact CD1-CG2 3.75Å; I99-V118 HydrophobicContact CG1-CG2 3.82Å; I99-F124 HydrophobicContact CD1-CB 4.47Å; I99-F124 HydrophobicContact CD1-CD2 4.03Å; I99-F124 HydrophobicContact CD1-CE2 4.49Å; I99-F124 HydrophobicContact CD1-CG 4.17Å; I99-W126 HydrophobicContact CG2-CH2 4.49Å
100V97.1Very high95.3Very high14 Ų1452.8 Ų52.89%0.08527%0.265CS..Hα-helixtrans-58-47.3-179.3174.20000110.7L32 L33 A36 F37 G96 N97 T102 F103 E104L32-V100 HydrophobicContact CG-CG2 4.5Å; L33-V100 HydrophobicContact CD2-CG2 4.14Å; A36-V100 HydrophobicContact CB-CB 4.38Å; A36-V100 HydrophobicContact CB-CG1 3.98Å; A36-V100 HydrophobicContact CB-CG2 3.4Å; A36-V100 VanDerWaalsContact CB-CG2 3.4Å; F37-V100 HydrophobicContact CE2-CG2 4.46Å; F37-V100 HydrophobicContact CZ-CG2 4.15Å; G96-V100 WeakPolarHBondContact O-CG2 3.43Å; G96-V100 PolarHBondContact O-N 2.82Å; N97-V100 PolarHBondContact O-N 2.76Å; V100-T102 VanDerWaalsContact C-N 3.26Å; V100-T102 PolarHBondContact O-N 3.07Å; V100-F103 PolarHBondContact O-N 3.39Å; V100-F103 VanDerWaalsContact O-N 3.1Å; V100-E104 HydrophobicContact CG1-CG 4.27Å; V100-E104 WeakPolarHBondContact O-CG 3.35Å; V100-E104 PolarHBondContact O-N 3.45Å
101E97.3Very high95.2Very high36 Ų3649 Ų4917%0.16826%0.256CS..Hα-helixtrans-54.8-42.2174.4-179.6-164.3140.900111.7R80 N97 I99 F103 E104 K105R80-E101 IonicContact CZ-OE1 3.88Å; R80-E101 IonicContact CZ-OE2 3.34Å; R80-E101 IonicContact NE-OE1 3.12Å; R80-E101 PolarHBondContact NE-OE1 3.2Å; R80-E101 IonicContact NE-OE2 2.7Å; R80-E101 PolarHBondContact NE-OE2 3.01Å; R80-E101 IonicContact NH2-OE1 3.77Å; R80-E101 IonicContact NH2-OE2 3.5Å; R80-E101 PolarHBondContact NH2-OE2 3.4Å; N97-E101 WeakPolarHBondContact O-CB 3.41Å; N97-E101 PolarHBondContact O-N 2.79Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.14Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 3.37Å; E101-E104 PolarHBondContact O-N 2.94Å; E101-K105 HydrophobicContact CG-CD 3.77Å; E101-K105 HydrophobicContact CG-CG 4.17Å; E101-K105 VanDerWaalsContact O-CB 3.26Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.37Å; E101-K105 PolarHBondContact O-N 3.16Å; E101-K105 VanDerWaalsContact OE1-CE 3.31Å; E101-K105 WeakPolarHBondContact OE1-CE 3.32Å; E101-K105 IonicContact OE1-NZ 3.48Å; E101-K105 PolarHBondContact OE1-NZ 3.15Å
102T97.4Very high95.2Very high7 Ų748.4 Ų48.44%0.04326%0.257CS..Hα-helixtrans-62.2-42.7179.7-62.60000110.9P77 V98 I99 V100 Q106P77-T102 HydrophobicContact CB-CG2 3.88Å; P77-T102 HydrophobicContact CG-CG2 4.49Å; V98-T102 WeakPolarHBondContact O-CB 3.11Å; V98-T102 PolarHBondContact O-N 3.4Å; V98-T102 VanDerWaalsContact O-N 3.09Å; V98-T102 PolarHBondContact O-OG1 2.96Å; I99-T102 WeakPolarHBondContact O-CB 3.37Å; I99-T102 PolarHBondContact O-N 3.43Å; V100-T102 VanDerWaalsContact C-N 3.26Å; V100-T102 PolarHBondContact O-N 3.07Å; T102-Q106 WeakPolarHBondContact O-CB 3.26Å; T102-Q106 VanDerWaalsContact O-CG 3.31Å; T102-Q106 WeakPolarHBondContact O-CG 3.47Å; T102-Q106 PolarHBondContact O-N 3.5Å; T102-Q106 VanDerWaalsContact O-N 3.17Å
103F96.8Very high95.2Very high3 Ų345.5 Ų45.51%0.01324%0.243CC..Hα-helixtrans-69.6-44.9178.9-83.8-113.8000111.6F37 P77 I99 V100 E101 Q106 G107 I108 A110 M113 V116 W126F37-F103 HydrophobicContact CE1-CB 4.28Å; F37-F103 HydrophobicContact CZ-CB 3.91Å; F37-F103 HydrophobicContact CZ-CD1 4.17Å; F37-F103 HydrophobicContact CZ-CD2 4.39Å; F37-F103 AromaticContact CZ-CG 3.88Å; F37-F103 HydrophobicContact CZ-CG 3.88Å; P77-F103 HydrophobicContact CG-CE2 3.81Å; P77-F103 HydrophobicContact CG-CZ 4.04Å; I99-F103 HydrophobicContact CG2-CD2 4.28Å; I99-F103 HydrophobicContact CG2-CE2 4.33Å; I99-F103 WeakPolarHBondContact O-CD2 3.45Å; I99-F103 PolarHBondContact O-N 2.86Å; I99-F103 VanDerWaalsContact O-N 3.13Å; V100-F103 PolarHBondContact O-N 3.39Å; V100-F103 VanDerWaalsContact O-N 3.1Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 3.37Å; F103-Q106 PolarHBondContact O-N 3.4Å; F103-G107 PolarHBondContact O-N 3.33Å; F103-I108 HydrophobicContact CD1-CB 3.82Å; F103-I108 HydrophobicContact CD1-CG2 3.61Å; F103-I108 HydrophobicContact CE1-CB 4.22Å; F103-I108 HydrophobicContact CE1-CG2 3.52Å; F103-I108 HydrophobicContact CG-CB 4.29Å; F103-I108 HydrophobicContact CG-CG2 4.46Å; F103-I108 HydrophobicContact CZ-CG2 4.3Å; F103-I108 PolarHBondContact O-N 3.34Å; F103-A110 HydrophobicContact CD1-CB 4.01Å; F103-A110 HydrophobicContact CE1-CB 4.11Å; F103-M113 HydrophobicContact CE1-CB 3.99Å; F103-M113 HydrophobicContact CE1-CG 4.09Å; F103-M113 HydrophobicContact CZ-CB 4.39Å; F103-M113 HydrophobicContact CZ-CG 4Å; F103-V116 HydrophobicContact CE2-CB 3.82Å; F103-V116 HydrophobicContact CE2-CG2 3.91Å; F103-V116 HydrophobicContact CZ-CB 4.31Å; F103-W126 AromaticContact CE1-CH2 3.95Å; F103-W126 HydrophobicContact CE1-CH2 3.95Å; F103-W126 AromaticContact CE1-CZ2 3.6Å; F103-W126 HydrophobicContact CE1-CZ2 3.6Å; F103-W126 AromaticContact CE2-CH2 3.77Å; F103-W126 HydrophobicContact CE2-CH2 3.77Å; F103-W126 HydrophobicContact CE2-CZ2 4.29Å; F103-W126 AromaticContact CZ-CH2 3.35Å; F103-W126 HydrophobicContact CZ-CH2 3.35Å; F103-W126 AromaticContact CZ-CZ2 3.47Å; F103-W126 HydrophobicContact CZ-CZ2 3.47Å; F103-W126 VanDerWaalsContact CZ-CZ2 3.47Å
104E94.5Very high95.2Very high145 Ų14542.9 Ų42.968%0.67823%0.234SC*.Hα-helixtrans-62.7-48.1177.9-71-178.316200112V100 E101 Q106 G107V100-E104 HydrophobicContact CG1-CG 4.27Å; V100-E104 WeakPolarHBondContact O-CG 3.35Å; V100-E104 PolarHBondContact O-N 3.45Å; E101-E104 PolarHBondContact O-N 2.94Å; E104-Q106 VanDerWaalsContact C-N 3.31Å; E104-Q106 PolarHBondContact O-N 2.96Å; E104-G107 PolarHBondContact O-N 2.99Å
105K94.7Very high95.2Very high157 Ų15740.5 Ų40.568%0.68322%0.224SC*.Hα-helixtrans-65.8-32.6-179.3-75.2-175.3178.2175.90113.1E101E101-K105 HydrophobicContact CG-CD 3.77Å; E101-K105 HydrophobicContact CG-CG 4.17Å; E101-K105 VanDerWaalsContact O-CB 3.26Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.37Å; E101-K105 PolarHBondContact O-N 3.16Å; E101-K105 VanDerWaalsContact OE1-CE 3.31Å; E101-K105 WeakPolarHBondContact OE1-CE 3.32Å; E101-K105 IonicContact OE1-NZ 3.48Å; E101-K105 PolarHBondContact OE1-NZ 3.15Å
106Q93.5Very high95.3Very high103 Ų10340.4 Ų40.448%0.48122%0.223SC..Hα-helixtrans-91.5-4.2179.4-63.9-175.635.900113T102 F103 E104 I108T102-Q106 WeakPolarHBondContact O-CB 3.26Å; T102-Q106 VanDerWaalsContact O-CG 3.31Å; T102-Q106 WeakPolarHBondContact O-CG 3.47Å; T102-Q106 PolarHBondContact O-N 3.5Å; T102-Q106 VanDerWaalsContact O-N 3.17Å; F103-Q106 PolarHBondContact O-N 3.4Å; E104-Q106 VanDerWaalsContact C-N 3.31Å; E104-Q106 PolarHBondContact O-N 2.96Å; Q106-I108 VanDerWaalsContact C-N 3.29Å; Q106-I108 HydrophobicContact CB-CD1 3.6Å; Q106-I108 HydrophobicContact CB-CG1 3.68Å; Q106-I108 HydrophobicContact CG-CD1 4.42Å; Q106-I108 PolarHBondContact O-N 3.21Å
107G92.6Very high95.3Very high69 Ų6940.4 Ų40.471%0.71122%0.223SC*.THydrogen-bonded Turntrans63.233.9-177.400000113.1F103 E104F103-G107 PolarHBondContact O-N 3.33Å; E104-G107 PolarHBondContact O-N 2.99Å
108I93.7Very high95.4Very high40 Ų4038 Ų3821%0.20521%0.21CC..  trans-89.9128.5-176.4-61172.5000109.6P77 F103 Q106 A110 M113P77-I108 HydrophobicContact CB-CD1 4.02Å; P77-I108 HydrophobicContact CG-CD1 3.8Å; F103-I108 HydrophobicContact CD1-CB 3.82Å; F103-I108 HydrophobicContact CD1-CG2 3.61Å; F103-I108 HydrophobicContact CE1-CB 4.22Å; F103-I108 HydrophobicContact CE1-CG2 3.52Å; F103-I108 HydrophobicContact CG-CB 4.29Å; F103-I108 HydrophobicContact CG-CG2 4.46Å; F103-I108 HydrophobicContact CZ-CG2 4.3Å; F103-I108 PolarHBondContact O-N 3.34Å; Q106-I108 VanDerWaalsContact C-N 3.29Å; Q106-I108 HydrophobicContact CB-CD1 3.6Å; Q106-I108 HydrophobicContact CB-CG1 3.68Å; Q106-I108 HydrophobicContact CG-CD1 4.42Å; Q106-I108 PolarHBondContact O-N 3.21Å; I108-A110 PolarHBondContact O-N 2.94Å; I108-M113 HydrophobicContact CG2-CB 3.37Å; I108-M113 HydrophobicContact CG2-CG 3.79Å
109D92.4Very high95.4Very high78 Ų7840 Ų4042%0.41722%0.219SC..  trans-78.7115.5170.9-179-5.2000110.1A111 Q112 M113D109-A111 PolarHBondContact O-N 3.46Å; D109-A111 WeakPolarHBondContact OD1-CB 3.32Å; D109-A111 PolarHBondContact OD1-N 3.45Å; D109-Q112 HydrophobicContact CB-CB 4.23Å; D109-Q112 HydrophobicContact CB-CG 4.09Å; D109-Q112 WeakPolarHBondContact O-CA 3.4Å; D109-Q112 PolarHBondContact O-N 3.07Å; D109-Q112 PolarHBondContact OD2-NE2 3.23Å; D109-M113 PolarHBondContact O-N 3.3Å
110A92.6Very high95.2Very high6 Ų643.8 Ų43.85%0.0525%0.246CC..THydrogen-bonded Turntrans-60.5-24178.900000113.5F37 F103 I108 Q112 M113 W126F37-A110 HydrophobicContact CB-CB 4.05Å; F37-A110 HydrophobicContact CD1-CB 3.56Å; F37-A110 HydrophobicContact CD2-CB 3.82Å; F37-A110 HydrophobicContact CE1-CB 3.89Å; F37-A110 HydrophobicContact CE2-CB 4.09Å; F37-A110 HydrophobicContact CG-CB 3.53Å; F37-A110 HydrophobicContact CZ-CB 4.14Å; F103-A110 HydrophobicContact CD1-CB 4.01Å; F103-A110 HydrophobicContact CE1-CB 4.11Å; I108-A110 PolarHBondContact O-N 2.94Å; A110-Q112 VanDerWaalsContact C-N 3.3Å; A110-M113 CarbonylContact O-C 3.56Å; A110-W126 HydrophobicContact CB-CZ2 4.03Å; A110-W126 PolarHBondContact O-NE1 3.41Å
111A90.8Very high95.1Very high55 Ų5544.7 Ų44.746%0.45525%0.249SC..THydrogen-bonded Turntrans-72.8-24.4172.800000112.6D109D109-A111 PolarHBondContact O-N 3.46Å; D109-A111 WeakPolarHBondContact OD1-CB 3.32Å; D109-A111 PolarHBondContact OD1-N 3.45Å
112Q92.8Very high95Very high68 Ų6843 Ų4332%0.31824%0.241SC..THydrogen-bonded Turntrans-100.2-15.5-179.3-57.6176.930.800114.4Y73 D109 A110 Y169Y73-Q112 PolarHBondContact N-O 3.41Å; D109-Q112 HydrophobicContact CB-CB 4.23Å; D109-Q112 HydrophobicContact CB-CG 4.09Å; D109-Q112 WeakPolarHBondContact O-CA 3.4Å; D109-Q112 PolarHBondContact O-N 3.07Å; D109-Q112 PolarHBondContact OD2-NE2 3.23Å; A110-Q112 VanDerWaalsContact C-N 3.3Å; Q112-Y169 WeakPolarHBondContact CA-OH 3.32Å; Q112-Y169 HydrophobicContact CB-CE1 4.31Å; Q112-Y169 WeakPolarHBondContact CB-OH 3.32Å; Q112-Y169 HydrophobicContact CG-CE1 4.25Å
113M95.1Very high95Very high3 Ų342.8 Ų42.82%0.01524%0.24CC..SBendtrans-125.278.5176-174.95862.400108.8F72 Y73 G74 T75 I76 P77 F103 I108 D109 A110 G115 W126F72-M113 HydrophobicContact CB-CE 4.05Å; F72-M113 HydrophobicContact CB-SD 3.78Å; F72-M113 HydrophobicContact CD1-SD 3.61Å; F72-M113 HydrophobicContact CG-SD 4.14Å; Y73-M113 WeakPolarHBondContact O-CE 3.48Å; G74-M113 WeakPolarHBondContact O-CE 3.5Å; T75-M113 WeakPolarHBondContact O-CE 3.48Å; I76-M113 HydrophobicContact CB-SD 4.2Å; I76-M113 HydrophobicContact CG1-SD 3.79Å; I76-M113 HydrophobicContact CG2-SD 4.47Å; P77-M113 HydrophobicContact CG-CG 4.47Å; F103-M113 HydrophobicContact CE1-CB 3.99Å; F103-M113 HydrophobicContact CE1-CG 4.09Å; F103-M113 HydrophobicContact CZ-CB 4.39Å; F103-M113 HydrophobicContact CZ-CG 4Å; I108-M113 HydrophobicContact CG2-CB 3.37Å; I108-M113 HydrophobicContact CG2-CG 3.79Å; D109-M113 PolarHBondContact O-N 3.3Å; A110-M113 CarbonylContact O-C 3.56Å; M113-G115 PolarHBondContact O-N 2.85Å; M113-W126 WeakPolarHBondContact O-CZ2 3.31Å
114P95.9Very high95.1Very high12 Ų1242.7 Ų42.78%0.07824%0.239CC..  trans-75.237.7-173.231.3-36.6000114.4Y71 F72 A125 W126 N136Y71-P114 WeakPolarHBondContact O-CD 3.31Å; F72-P114 HydrophobicContact CD1-CG 4.01Å; F72-P114 HydrophobicContact CE1-CG 3.86Å; P114-A125 WeakPolarHBondContact O-CA 3.17Å; P114-W126 VanDerWaalsContact CB-O 3.32Å; P114-W126 WeakPolarHBondContact CB-O 3.3Å; P114-W126 PolarHBondContact O-N 2.89Å; P114-N136 HydrophobicContact CB-CB 4.41Å; P114-N136 WeakPolarHBondContact CB-ND2 3.17Å
115G96.7Very high95.2Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans179.1163.117600000115M113 F124M113-G115 PolarHBondContact O-N 2.85Å; G115-F124 CarbonylContact C-O 3.57Å; G115-F124 WeakPolarHBondContact CA-O 3.42Å
116V98.1Very high95.4Very high0 Ų028.6 Ų28.60%018%0.176CC..EExtended strand (participates in β ladder)trans-151.4151-174.965.30000110.1P77 T79 I99 F103 P123 F124 W126P77-V116 HydrophobicContact CG-CG2 4.15Å; P77-V116 WeakPolarHBondContact O-CG2 3.42Å; T79-V116 HydrophobicContact CG2-CG2 3.88Å; I99-V116 HydrophobicContact CD1-CG1 4.06Å; I99-V116 HydrophobicContact CG1-CG1 3.99Å; I99-V116 HydrophobicContact CG2-CB 4.49Å; I99-V116 HydrophobicContact CG2-CG1 3.83Å; I99-V116 HydrophobicContact CG2-CG2 4.47Å; F103-V116 HydrophobicContact CE2-CB 3.82Å; F103-V116 HydrophobicContact CE2-CG2 3.91Å; F103-V116 HydrophobicContact CZ-CB 4.31Å; V116-P123 WeakPolarHBondContact O-CA 3.47Å; V116-F124 HydrophobicContact CG1-CB 3.89Å; V116-F124 PolarHBondContact N-O 3.39Å; V116-F124 PolarHBondContact O-N 3.28Å; V116-W126 HydrophobicContact CB-CH2 4.18Å; V116-W126 HydrophobicContact CB-CZ3 4.31Å; V116-W126 HydrophobicContact CG1-CH2 4.04Å; V116-W126 HydrophobicContact CG1-CZ3 3.72Å
117L98.3Very high95.4Very high0 Ų024 Ų240%016%0.156CC..EExtended strand (participates in β ladder)trans-100.7129167.9-55-178000109.8A51 W54 A55 I61 P77 C78 T79 P123 L140A51-L117 HydrophobicContact CB-CD2 4.05Å; W54-L117 HydrophobicContact CB-CD1 3.45Å; W54-L117 VanDerWaalsContact CB-CD1 3.45Å; W54-L117 HydrophobicContact CG-CD1 4.49Å; A55-L117 HydrophobicContact CB-CB 3.97Å; I61-L117 HydrophobicContact CD1-CD1 3.85Å; I61-L117 HydrophobicContact CD1-CG 4.5Å; I61-L117 HydrophobicContact CG1-CD1 3.83Å; P77-L117 PolarHBondContact O-N 2.91Å; C78-L117 CarbonylContact C-O 3.47Å; C78-L117 VanDerWaalsContact CA-O 3.24Å; C78-L117 WeakPolarHBondContact CA-O 3.39Å; C78-L117 HydrophobicContact CB-CB 4.03Å; T79-L117 PolarHBondContact N-O 3.27Å; L117-P123 HydrophobicContact CD2-CB 3.93Å; L117-L140 HydrophobicContact CD2-CD2 4.23Å
118V97.6Very high95.4Very high2 Ų228 Ų281%0.01215%0.154CC..PPolyproline II helixtrans-91.1121.4172.4178.40000108.9A55 T79 T95 I99 S120 H121 G122 F124A55-V118 WeakPolarHBondContact CB-O 3.41Å; T79-V118 HydrophobicContact CG2-CG2 4.31Å; T79-V118 WeakPolarHBondContact OG1-CA 3.43Å; T95-V118 HydrophobicContact CG2-CG1 4.07Å; T95-V118 HydrophobicContact CG2-CG2 4.17Å; I99-V118 HydrophobicContact CD1-CG2 3.75Å; I99-V118 HydrophobicContact CG1-CG2 3.82Å; V118-S120 PolarHBondContact O-N 3.1Å; V118-H121 HydrophobicContact CB-CB 3.93Å; V118-H121 HydrophobicContact CG1-CB 3.76Å; V118-H121 PolarHBondContact O-N 3.28Å; V118-G122 PolarHBondContact N-O 3.39Å; V118-G122 PolarHBondContact O-N 2.91Å; V118-F124 HydrophobicContact CG2-CD2 3.74Å; V118-F124 HydrophobicContact CG2-CE2 3.92Å
119H97.2Very high95.3Very high41 Ų4129.3 Ų29.319%0.1916%0.162CC..THydrogen-bonded Turntrans-51.9129.9-175.1-171.1-50.4000111.8G58 T79 K81 H121G58-H119 VanDerWaalsContact CA-CD2 3.41Å; G58-H119 WeakPolarHBondContact CA-CD2 3.3Å; G58-H119 WeakPolarHBondContact CA-NE2 3.13Å; T79-H119 WeakPolarHBondContact O-CB 3.35Å; T79-H119 PolarHBondContact OG1-N 2.66Å; K81-H119 WeakPolarHBondContact CE-NE2 3.34Å; H119-H121 PolarHBondContact O-N 3.26Å; H119-H121 VanDerWaalsContact O-N 3.16Å
120S94.8Very high95.2Very high80 Ų8028.9 Ų28.956%0.55917%0.168SC*.THydrogen-bonded Turntrans61.811-177.6-60.70000115.8A55 V118A55-S120 PolarHBondContact O-N 2.92Å; V118-S120 PolarHBondContact O-N 3.1Å
121H94.1Very high95.2Very high34 Ų3436.2 Ų36.216%0.15720%0.202CC..SBendtrans-120.4-101.5-178.9-173.4-140.6000111.1H45 H47 T52 V118 H119 F124H45-H121 AromaticContact CE1-CE1 3.41Å; H45-H121 PolarHBondContact CE1-CE1 3.17Å; H45-H121 VanDerWaalsContact CE1-CE1 3.41Å; H45-H121 AromaticContact CE1-ND1 3.91Å; H45-H121 AromaticContact CE1-NE2 3.91Å; H45-H121 AromaticContact NE2-CE1 3.39Å; H45-H121 PolarHBondContact NE2-CE1 3.4Å; H45-H121 AromaticContact NE2-NE2 3.65Å; H47-H121 AromaticContact CE1-CD2 3.82Å; H47-H121 AromaticContact CE1-NE2 3.83Å; H47-H121 AromaticContact NE2-NE2 3.83Å; T52-H121 WeakPolarHBondContact CG2-O 3.43Å; V118-H121 HydrophobicContact CB-CB 3.93Å; V118-H121 HydrophobicContact CG1-CB 3.76Å; V118-H121 PolarHBondContact O-N 3.28Å; H119-H121 PolarHBondContact O-N 3.26Å; H119-H121 VanDerWaalsContact O-N 3.16Å; H121-F124 AromaticContact ND1-CE2 3.96Å
122G96Very high95.2Very high0 Ų035.7 Ų35.70%019%0.191CC..  trans-167.1179.1-177.500000112V118V118-G122 PolarHBondContact N-O 3.39Å; V118-G122 PolarHBondContact O-N 2.91Å
123P97.4Very high95.4Very high3 Ų332.4 Ų32.42%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-75.5146.6177.530.6-39.7000114.2H45 T46 A51 V116 L117 L140H45-P123 PolarHBondContact ND1-O 2.97Å; T46-P123 PolarHBondContact N-O 3.41Å; T46-P123 WeakPolarHBondContact O-CD 3.27Å; T46-P123 WeakPolarHBondContact O-CG 3.44Å; A51-P123 HydrophobicContact CB-CB 4.07Å; A51-P123 HydrophobicContact CB-CG 3.83Å; V116-P123 WeakPolarHBondContact O-CA 3.47Å; L117-P123 HydrophobicContact CD2-CB 3.93Å; P123-L140 HydrophobicContact CB-CD2 3.18Å; P123-L140 HydrophobicContact CG-CD2 4.07Å
124F98Very high95.5Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-117128.7157.6-73.9-102.5000107.7T29 H30 L33 I43 H45 T95 I99 G115 V116 V118 H121 W126T29-F124 HydrophobicContact CG2-CD1 4.36Å; T29-F124 HydrophobicContact CG2-CE1 3.72Å; T29-F124 HydrophobicContact CG2-CZ 3.87Å; H30-F124 AromaticContact CD2-CE1 3.97Å; H30-F124 AromaticContact NE2-CE1 3.88Å; L33-F124 HydrophobicContact CD1-CD1 4.39Å; I43-F124 HydrophobicContact CG2-CD1 4.17Å; H45-F124 HydrophobicContact CB-CD1 3.83Å; H45-F124 HydrophobicContact CB-CE1 3.55Å; H45-F124 HydrophobicContact CB-CG 4.46Å; H45-F124 HydrophobicContact CB-CZ 3.95Å; H45-F124 AromaticContact CE1-CE2 3.74Å; H45-F124 AromaticContact CE1-CZ 3.95Å; H45-F124 AromaticContact CG-CE1 3.69Å; H45-F124 AromaticContact CG-CE2 3.95Å; H45-F124 AromaticContact CG-CZ 3.53Å; H45-F124 AromaticContact ND1-CD2 3.71Å; H45-F124 AromaticContact ND1-CE1 3.92Å; H45-F124 AromaticContact ND1-CE2 3.35Å; H45-F124 WeakPolarHBondContact ND1-CE2 3.2Å; H45-F124 AromaticContact ND1-CZ 3.45Å; H45-F124 WeakPolarHBondContact ND1-CZ 3.46Å; T95-F124 HydrophobicContact CG2-CE2 4.44Å; I99-F124 HydrophobicContact CD1-CB 4.47Å; I99-F124 HydrophobicContact CD1-CD2 4.03Å; I99-F124 HydrophobicContact CD1-CE2 4.49Å; I99-F124 HydrophobicContact CD1-CG 4.17Å; G115-F124 CarbonylContact C-O 3.57Å; G115-F124 WeakPolarHBondContact CA-O 3.42Å; V116-F124 HydrophobicContact CG1-CB 3.89Å; V116-F124 PolarHBondContact N-O 3.39Å; V116-F124 PolarHBondContact O-N 3.28Å; V118-F124 HydrophobicContact CG2-CD2 3.74Å; V118-F124 HydrophobicContact CG2-CE2 3.92Å; H121-F124 AromaticContact ND1-CE2 3.96Å; F124-W126 HydrophobicContact CB-CZ3 4.47Å
125A97.5Very high95.4Very high1 Ų138.8 Ų38.81%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-123.9151.3173.800000109.3I43 V44 P114 N136 A137I43-A125 CarbonylContact C-O 3.57Å; I43-A125 WeakPolarHBondContact CA-O 3.27Å; V44-A125 PolarHBondContact N-O 2.88Å; V44-A125 PolarHBondContact O-N 2.9Å; P114-A125 WeakPolarHBondContact O-CA 3.17Å; A125-N136 HydrophobicContact CB-CB 4.41Å; A125-A137 HydrophobicContact CB-CB 3.86Å
126W97.6Very high95.4Very high5 Ų539.3 Ų39.32%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-140.6167.5-178.952.584000112F37 I40 G42 I43 I99 F103 A110 M113 P114 V116 F124 N136F37-W126 HydrophobicContact CE2-CH2 4.32Å; F37-W126 HydrophobicContact CE2-CZ2 4.34Å; I40-W126 HydrophobicContact CD1-CB 3.75Å; I40-W126 HydrophobicContact CD1-CD2 3.72Å; I40-W126 HydrophobicContact CD1-CE3 4.41Å; I40-W126 HydrophobicContact CD1-CG 3.39Å; I40-W126 HydrophobicContact CG1-CB 4.04Å; I40-W126 HydrophobicContact CG1-CG 3.81Å; I40-W126 HydrophobicContact CG2-CB 3.87Å; G42-W126 CarbonylContact O-C 3.31Å; G42-W126 WeakPolarHBondContact O-CA 3.33Å; G42-W126 VanDerWaalsContact O-CB 3.27Å; G42-W126 WeakPolarHBondContact O-CB 3.06Å; I43-W126 HydrophobicContact CG1-CB 4.17Å; I99-W126 HydrophobicContact CG2-CH2 4.49Å; F103-W126 AromaticContact CE1-CH2 3.95Å; F103-W126 HydrophobicContact CE1-CH2 3.95Å; F103-W126 AromaticContact CE1-CZ2 3.6Å; F103-W126 HydrophobicContact CE1-CZ2 3.6Å; F103-W126 AromaticContact CE2-CH2 3.77Å; F103-W126 HydrophobicContact CE2-CH2 3.77Å; F103-W126 HydrophobicContact CE2-CZ2 4.29Å; F103-W126 AromaticContact CZ-CH2 3.35Å; F103-W126 HydrophobicContact CZ-CH2 3.35Å; F103-W126 AromaticContact CZ-CZ2 3.47Å; F103-W126 HydrophobicContact CZ-CZ2 3.47Å; F103-W126 VanDerWaalsContact CZ-CZ2 3.47Å; A110-W126 HydrophobicContact CB-CZ2 4.03Å; A110-W126 PolarHBondContact O-NE1 3.41Å; M113-W126 WeakPolarHBondContact O-CZ2 3.31Å; P114-W126 VanDerWaalsContact CB-O 3.32Å; P114-W126 WeakPolarHBondContact CB-O 3.3Å; P114-W126 PolarHBondContact O-N 2.89Å; V116-W126 HydrophobicContact CB-CH2 4.18Å; V116-W126 HydrophobicContact CB-CZ3 4.31Å; V116-W126 HydrophobicContact CG1-CH2 4.04Å; V116-W126 HydrophobicContact CG1-CZ3 3.72Å; F124-W126 HydrophobicContact CB-CZ3 4.47Å; W126-N136 PolarHBondContact O-ND2 3.31Å
127G94.4Very high95.3Very high6 Ų639.8 Ų39.86%0.06222%0.216CC..EExtended strand (participates in β ladder)trans-160.8-179.9-179.800000111.7G41 G42 N129 D132G41-G127 PolarHBondContact N-O 3.1Å; G42-G127 PolarHBondContact N-O 3.22Å; G42-G127 PolarHBondContact O-N 3.33Å; G127-N129 PolarHBondContact O-N 3.48Å; G127-D132 VanDerWaalsContact CA-OD2 3.26Å; G127-D132 WeakPolarHBondContact CA-OD2 3.25Å
128K91.7Very high95.2Very high153 Ų15345 Ų4567%0.66524%0.243SC*.SBendtrans-67.4-15.5179.869.5-166.8171.6-176.40113.8G41 D132G41-K128 WeakPolarHBondContact CA-O 3.32Å; K128-D132 HydrophobicContact CG-CB 3.99Å; K128-D132 PolarHBondContact N-OD2 3.03Å
129N91.8Very high95.1Very high69 Ų6945.4 Ų45.437%0.36925%0.245SC..SBendtrans-157.3177.6172.862.137.1000109.2G127 E131 D132 A133G127-N129 PolarHBondContact O-N 3.48Å; N129-E131 PolarHBondContact O-N 3.04Å; N129-E131 PolarHBondContact OD1-N 3.09Å; N129-D132 PolarHBondContact O-N 3.31Å; N129-D132 WeakPolarHBondContact OD1-CB 3.33Å; N129-D132 PolarHBondContact OD1-N 3.47Å; N129-A133 PolarHBondContact O-N 2.88Å
130A91.4Very high95.2Very high68 Ų6843.5 Ų43.556%0.56224%0.237SC*.Hα-helixtrans-61.8-37.7-177.600000113.8A133 V134A130-A133 PolarHBondContact O-N 3.16Å; A130-V134 WeakPolarHBondContact O-CG2 3.25Å; A130-V134 PolarHBondContact O-N 2.68Å
131E91Very high95.3Very high160 Ų16041.4 Ų41.475%0.74822%0.218SC*.Hα-helixtrans-65.7-44.9178.4-175.6179.3-17800111.4N129 A133 V134 H135N129-E131 PolarHBondContact O-N 3.04Å; N129-E131 PolarHBondContact OD1-N 3.09Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 2.62Å; E131-V134 PolarHBondContact O-N 3.41Å; E131-H135 PolarHBondContact O-N 3.13Å
132D92.7Very high95.4Very high44 Ų4444.1 Ų44.124%0.23523%0.231CC..Hα-helixtrans-63.4-37.6176.9-165.758.8000111.6G127 K128 N129 H135 N136G127-D132 VanDerWaalsContact CA-OD2 3.26Å; G127-D132 WeakPolarHBondContact CA-OD2 3.25Å; K128-D132 HydrophobicContact CG-CB 3.99Å; K128-D132 PolarHBondContact N-OD2 3.03Å; N129-D132 PolarHBondContact O-N 3.31Å; N129-D132 WeakPolarHBondContact OD1-CB 3.33Å; N129-D132 PolarHBondContact OD1-N 3.47Å; D132-H135 PolarHBondContact O-N 2.92Å; D132-N136 VanDerWaalsContact O-CG 3.32Å; D132-N136 PolarHBondContact O-N 3.5Å; D132-N136 PolarHBondContact O-ND2 2.64Å
133A96.2Very high95.5Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-65-41.3174.200000112.7G42 V44 N129 A130 E131 N136 A137G42-A133 VanDerWaalsContact O-CB 3.31Å; G42-A133 WeakPolarHBondContact O-CB 3.06Å; V44-A133 HydrophobicContact CB-CB 4.44Å; V44-A133 HydrophobicContact CG2-CB 3.8Å; N129-A133 PolarHBondContact O-N 2.88Å; A130-A133 PolarHBondContact O-N 3.16Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 2.62Å; A133-N136 PolarHBondContact O-N 2.84Å; A133-A137 PolarHBondContact O-N 3.47Å
134V96.1Very high95.4Very high72 Ų7244.2 Ų44.244%0.43623%0.231SC..Hα-helixtrans-64.2-42.5173.61730000110.4V44 A130 E131 A137 I138V44-V134 HydrophobicContact CG2-CB 4.36Å; V44-V134 HydrophobicContact CG2-CG2 3.59Å; A130-V134 WeakPolarHBondContact O-CG2 3.25Å; A130-V134 PolarHBondContact O-N 2.68Å; E131-V134 PolarHBondContact O-N 3.41Å; V134-A137 WeakPolarHBondContact O-CB 3.36Å; V134-A137 PolarHBondContact O-N 3.03Å; V134-I138 HydrophobicContact CG1-CD1 4.01Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.47Å
135H94.5Very high95.4Very high77 Ų7748.3 Ų48.336%0.35625%0.247SC..Hα-helixtrans-59.6-48.2176.5-175.373.4000111.5Y71 E131 D132 A137 I138 V139Y71-H135 AromaticContact CE1-CD2 3.72Å; Y71-H135 AromaticContact CE1-NE2 3.21Å; Y71-H135 WeakPolarHBondContact CE1-NE2 3.2Å; Y71-H135 AromaticContact CZ-NE2 3.5Å; Y71-H135 PolarHBondContact OH-NE2 3.25Å; E131-H135 PolarHBondContact O-N 3.13Å; D132-H135 PolarHBondContact O-N 2.92Å; H135-A137 VanDerWaalsContact C-N 3.31Å; H135-A137 PolarHBondContact O-N 3.01Å; H135-I138 PolarHBondContact O-N 3.18Å; H135-I138 VanDerWaalsContact O-N 3.16Å; H135-V139 WeakPolarHBondContact O-CG2 3.49Å; H135-V139 PolarHBondContact O-N 2.81Å
136N96Very high95.3Very high11 Ų1151 Ų516%0.05926%0.261CS..Hα-helixtrans-62.3-36.1176.9-69.7-25.7000112.2P114 A125 W126 D132 A133 V139 L140P114-N136 HydrophobicContact CB-CB 4.41Å; P114-N136 WeakPolarHBondContact CB-ND2 3.17Å; A125-N136 HydrophobicContact CB-CB 4.41Å; W126-N136 PolarHBondContact O-ND2 3.31Å; D132-N136 VanDerWaalsContact O-CG 3.32Å; D132-N136 PolarHBondContact O-N 3.5Å; D132-N136 PolarHBondContact O-ND2 2.64Å; A133-N136 PolarHBondContact O-N 2.84Å; N136-V139 PolarHBondContact O-N 3.39Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 PolarHBondContact O-N 3.03Å
137A97.1Very high95.1Very high10 Ų1050.9 Ų50.98%0.08326%0.261CS..Hα-helixtrans-64.2-40.4173.500000112.9V44 A125 A133 V134 H135 L140 E141V44-A137 HydrophobicContact CB-CB 4.25Å; V44-A137 HydrophobicContact CG1-CB 3.72Å; A125-A137 HydrophobicContact CB-CB 3.86Å; A133-A137 PolarHBondContact O-N 3.47Å; V134-A137 WeakPolarHBondContact O-CB 3.36Å; V134-A137 PolarHBondContact O-N 3.03Å; H135-A137 VanDerWaalsContact C-N 3.31Å; H135-A137 PolarHBondContact O-N 3.01Å; A137-L140 WeakPolarHBondContact O-CB 3.28Å; A137-L140 PolarHBondContact O-N 3.3Å; A137-E141 PolarHBondContact O-N 2.74Å
138I96.7Very high95.1Very high108 Ų10852.7 Ų52.755%0.55427%0.268SS*.Hα-helixtrans-64.6-44.4175.6-67.8166.1000110.3V134 H135 E141 E142V134-I138 HydrophobicContact CG1-CD1 4.01Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.47Å; H135-I138 PolarHBondContact O-N 3.18Å; H135-I138 VanDerWaalsContact O-N 3.16Å; I138-E141 PolarHBondContact O-N 2.98Å; I138-E142 PolarHBondContact O-N 2.96Å; I138-E142 VanDerWaalsContact O-N 3.1Å
139V95.8Very high95.2Very high12 Ų1249.9 Ų49.97%0.07326%0.256CS..Hα-helixtrans-63.6-43.3177.1178.30000110.9Y71 F72 H135 N136 E141 E142 V143Y71-V139 HydrophobicContact CD1-CG2 4.18Å; Y71-V139 HydrophobicContact CD2-CB 4.4Å; Y71-V139 HydrophobicContact CD2-CG1 3.49Å; Y71-V139 VanDerWaalsContact CD2-CG1 3.49Å; Y71-V139 HydrophobicContact CD2-CG2 4.09Å; Y71-V139 HydrophobicContact CE1-CG2 4.09Å; Y71-V139 HydrophobicContact CE2-CG1 4.04Å; Y71-V139 HydrophobicContact CE2-CG2 3.95Å; Y71-V139 HydrophobicContact CG-CB 4.39Å; Y71-V139 HydrophobicContact CG-CG1 3.74Å; Y71-V139 HydrophobicContact CG-CG2 4.18Å; F72-V139 HydrophobicContact CE2-CB 4.38Å; F72-V139 HydrophobicContact CE2-CG1 3.93Å; H135-V139 WeakPolarHBondContact O-CG2 3.49Å; H135-V139 PolarHBondContact O-N 2.81Å; N136-V139 PolarHBondContact O-N 3.39Å; V139-E141 VanDerWaalsContact C-N 3.3Å; V139-E141 PolarHBondContact O-N 3.18Å; V139-E142 PolarHBondContact O-N 3.05Å; V139-V143 HydrophobicContact CG1-CG2 4.07Å; V139-V143 WeakPolarHBondContact O-CB 3.15Å; V139-V143 VanDerWaalsContact O-CG2 3.28Å; V139-V143 WeakPolarHBondContact O-CG2 3.33Å; V139-V143 PolarHBondContact O-N 3.43Å
140L97.5Very high95.2Very high1 Ų148.5 Ų48.51%0.00525%0.251CS..Hα-helixtrans-55.1-46.4176-174.190.7000111.4A51 F72 I76 L117 P123 N136 A137 V143 A144A51-L140 HydrophobicContact CB-CD2 3.89Å; A51-L140 HydrophobicContact CB-CG 4.37Å; F72-L140 HydrophobicContact CE1-CD1 4.01Å; F72-L140 HydrophobicContact CE2-CB 4.36Å; F72-L140 HydrophobicContact CE2-CD1 4.35Å; F72-L140 HydrophobicContact CZ-CB 3.92Å; F72-L140 HydrophobicContact CZ-CD1 3.73Å; F72-L140 HydrophobicContact CZ-CG 4.47Å; I76-L140 HydrophobicContact CD1-CD1 3.78Å; I76-L140 HydrophobicContact CG1-CD1 4.37Å; I76-L140 HydrophobicContact CG2-CD1 3.83Å; L117-L140 HydrophobicContact CD2-CD2 4.23Å; P123-L140 HydrophobicContact CB-CD2 3.18Å; P123-L140 HydrophobicContact CG-CD2 4.07Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 PolarHBondContact O-N 3.03Å; A137-L140 WeakPolarHBondContact O-CB 3.28Å; A137-L140 PolarHBondContact O-N 3.3Å; L140-V143 PolarHBondContact O-N 3.08Å; L140-A144 VanDerWaalsContact O-CB 3.24Å; L140-A144 WeakPolarHBondContact O-CB 3.31Å; L140-A144 PolarHBondContact O-N 3.36Å
141E97.6Very high95.1Very high35 Ų3548.9 Ų48.916%0.16424%0.238CC..Hα-helixtrans-63.3-41.6178.7176.661.3-175.500112.2S48 R49 H50 A51 A137 I138 V139 A144 Y145S48-E141 VanDerWaalsContact CB-CD 3.44Å; S48-E141 WeakPolarHBondContact CB-OE2 3.31Å; S48-E141 PolarHBondContact OG-OE2 3.44Å; R49-E141 PolarHBondContact N-OE1 3.2Å; R49-E141 VanDerWaalsContact N-OE1 3.11Å; H50-E141 IonicContact CE1-OE1 3.5Å; H50-E141 IonicContact CG-OE1 3.48Å; H50-E141 PolarHBondContact N-OE1 2.94Å; H50-E141 PolarHBondContact N-OE2 2.82Å; H50-E141 VanDerWaalsContact N-OE2 3.09Å; H50-E141 IonicContact ND1-OE1 2.71Å; H50-E141 PolarHBondContact ND1-OE1 3.46Å; A51-E141 PolarHBondContact N-OE2 2.98Å; A137-E141 PolarHBondContact O-N 2.74Å; I138-E141 PolarHBondContact O-N 2.98Å; V139-E141 VanDerWaalsContact C-N 3.3Å; V139-E141 PolarHBondContact O-N 3.18Å; E141-A144 PolarHBondContact O-N 3.42Å; E141-Y145 WeakPolarHBondContact O-CB 3.29Å; E141-Y145 PolarHBondContact O-N 2.82Å
142E97.1Very high95.1Very high92 Ų9248 Ų4843%0.4323%0.234SC..Hα-helixtrans-67.6-41.3177-171.259.6-153.900111.6I138 V139 Y145 M146I138-E142 PolarHBondContact O-N 2.96Å; I138-E142 VanDerWaalsContact O-N 3.1Å; V139-E142 PolarHBondContact O-N 3.05Å; E142-Y145 WeakPolarHBondContact O-CB 3.4Å; E142-Y145 PolarHBondContact O-N 2.96Å; E142-M146 HydrophobicContact CG-CE 4.09Å; E142-M146 WeakPolarHBondContact O-CE 3.32Å; E142-M146 WeakPolarHBondContact O-CG 3.36Å; E142-M146 PolarHBondContact O-N 2.79Å
143V96.4Very high95.1Very high4 Ų453.1 Ų53.12%0.02426%0.261CS..Hα-helixtrans-63.9-41.8175.1167.90000111I61 H68 I76 V139 L140 M146 G147I61-V143 HydrophobicContact CG2-CG1 4.04Å; H68-V143 HydrophobicContact CB-CG1 3.96Å; H68-V143 HydrophobicContact CB-CG2 4.07Å; H68-V143 WeakPolarHBondContact ND1-CG1 3.31Å; I76-V143 HydrophobicContact CD1-CG1 3.88Å; V139-V143 HydrophobicContact CG1-CG2 4.07Å; V139-V143 WeakPolarHBondContact O-CB 3.15Å; V139-V143 VanDerWaalsContact O-CG2 3.28Å; V139-V143 WeakPolarHBondContact O-CG2 3.33Å; V139-V143 PolarHBondContact O-N 3.43Å; L140-V143 PolarHBondContact O-N 3.08Å; V143-M146 HydrophobicContact CG2-CE 4.19Å; V143-G147 PolarHBondContact O-N 3.13Å
144A97Very high94.9Very high0 Ų054.9 Ų54.90%028%0.276CS..Hα-helixtrans-62.9-43.7174.300000111.7H50 A51 W54 I61 L140 E141 G147 I148H50-A144 HydrophobicContact CB-CB 3.86Å; A51-A144 HydrophobicContact CB-CB 4Å; W54-A144 PolarHBondContact NE1-O 3.44Å; I61-A144 HydrophobicContact CD1-CB 3.72Å; L140-A144 VanDerWaalsContact O-CB 3.24Å; L140-A144 WeakPolarHBondContact O-CB 3.31Å; L140-A144 PolarHBondContact O-N 3.36Å; E141-A144 PolarHBondContact O-N 3.42Å; A144-G147 PolarHBondContact O-N 2.84Å; A144-I148 WeakPolarHBondContact O-CG1 3.46Å; A144-I148 PolarHBondContact O-N 2.94Å; A144-I148 VanDerWaalsContact O-N 3.11Å
145Y96.8Very high94.5Very high86 Ų8656 Ų5634%0.33728%0.284SS..Hα-helixtrans-56.8-56.4174.6171.7-114000111.1H50 E141 E142 G147 I148 F149H50-Y145 AromaticContact CD2-CD2 3.68Å; H50-Y145 AromaticContact CE1-CD2 3.42Å; H50-Y145 VanDerWaalsContact CE1-CD2 3.42Å; H50-Y145 WeakPolarHBondContact CE1-CD2 3.45Å; H50-Y145 AromaticContact ND1-CD2 3.91Å; H50-Y145 AromaticContact NE2-CD2 3.29Å; H50-Y145 VanDerWaalsContact NE2-CD2 3.29Å; H50-Y145 WeakPolarHBondContact NE2-CD2 3.4Å; H50-Y145 AromaticContact NE2-CE2 3.94Å; E141-Y145 WeakPolarHBondContact O-CB 3.29Å; E141-Y145 PolarHBondContact O-N 2.82Å; E142-Y145 WeakPolarHBondContact O-CB 3.4Å; E142-Y145 PolarHBondContact O-N 2.96Å; Y145-G147 VanDerWaalsContact C-N 3.28Å; Y145-G147 PolarHBondContact O-N 3.08Å; Y145-I148 PolarHBondContact O-N 3.38Å; Y145-F149 AromaticContact CD2-CD2 3.99Å; Y145-F149 HydrophobicContact CD2-CD2 3.99Å; Y145-F149 AromaticContact CD2-CE2 3.64Å; Y145-F149 HydrophobicContact CD2-CE2 3.64Å; Y145-F149 AromaticContact CE2-CD2 3.75Å; Y145-F149 HydrophobicContact CE2-CD2 3.75Å; Y145-F149 AromaticContact CE2-CE2 3.16Å; Y145-F149 HydrophobicContact CE2-CE2 3.16Å; Y145-F149 HydrophobicContact CE2-CZ 4.07Å; Y145-F149 AromaticContact CZ-CE2 3.76Å; Y145-F149 WeakPolarHBondContact O-CD2 3.33Å; Y145-F149 PolarHBondContact O-N 3.01Å
146M95.6Very high94.2Very high59 Ų5960.9 Ų60.929%0.29131%0.307SS..Hα-helixtrans-58.3-41.5177.5-70.9-177.2-67.700111.6T67 E142 V143 I148 F149 C150T67-M146 HydrophobicContact CG2-CE 3.77Å; E142-M146 HydrophobicContact CG-CE 4.09Å; E142-M146 WeakPolarHBondContact O-CE 3.32Å; E142-M146 WeakPolarHBondContact O-CG 3.36Å; E142-M146 PolarHBondContact O-N 2.79Å; V143-M146 HydrophobicContact CG2-CE 4.19Å; M146-I148 VanDerWaalsContact C-N 3.31Å; M146-I148 PolarHBondContact O-N 2.82Å; M146-F149 PolarHBondContact O-N 2.86Å; M146-C150 VanDerWaalsContact O-CB 3.3Å; M146-C150 WeakPolarHBondContact O-CB 3.49Å; M146-C150 PolarHBondContact O-N 2.98Å; M146-C150 PolarHBondContact O-SG 2.7Å
147G93.7Very high93.8Very high2 Ų263.2 Ų63.22%0.02132%0.319CS..Hα-helixtrans-55.9-42.2178.300000113.2V143 A144 Y145 C150 R151V143-G147 PolarHBondContact O-N 3.13Å; A144-G147 PolarHBondContact O-N 2.84Å; Y145-G147 VanDerWaalsContact C-N 3.28Å; Y145-G147 PolarHBondContact O-N 3.08Å; G147-C150 PolarHBondContact O-N 2.92Å; G147-R151 PolarHBondContact O-N 3.32Å
148I93.8Very high93.3Very high44 Ų4467.3 Ų67.323%0.22635%0.345CS..Hα-helixtrans-61.4-51.1178.1-67.6169.3000110H50 I53 A144 Y145 M146 R151 Q152H50-I148 HydrophobicContact CB-CD1 3.92Å; I53-I148 HydrophobicContact CB-CD1 4.26Å; I53-I148 HydrophobicContact CD1-CD1 4.3Å; I53-I148 HydrophobicContact CG2-CD1 4Å; A144-I148 WeakPolarHBondContact O-CG1 3.46Å; A144-I148 PolarHBondContact O-N 2.94Å; A144-I148 VanDerWaalsContact O-N 3.11Å; Y145-I148 PolarHBondContact O-N 3.38Å; M146-I148 VanDerWaalsContact C-N 3.31Å; M146-I148 PolarHBondContact O-N 2.82Å; I148-R151 PolarHBondContact O-N 2.91Å; I148-Q152 WeakPolarHBondContact O-CB 2.82Å; I148-Q152 PolarHBondContact O-N 3.19Å
149F93.7Very high93.1Very high93 Ų9366.4 Ų66.441%0.40834%0.341SS..Hα-helixtrans-68.1-36.6-178.9-74.4-81.9000112.3Y145 M146 R151 Q152 L153Y145-F149 AromaticContact CD2-CD2 3.99Å; Y145-F149 HydrophobicContact CD2-CD2 3.99Å; Y145-F149 AromaticContact CD2-CE2 3.64Å; Y145-F149 HydrophobicContact CD2-CE2 3.64Å; Y145-F149 AromaticContact CE2-CD2 3.75Å; Y145-F149 HydrophobicContact CE2-CD2 3.75Å; Y145-F149 AromaticContact CE2-CE2 3.16Å; Y145-F149 HydrophobicContact CE2-CE2 3.16Å; Y145-F149 HydrophobicContact CE2-CZ 4.07Å; Y145-F149 AromaticContact CZ-CE2 3.76Å; Y145-F149 WeakPolarHBondContact O-CD2 3.33Å; Y145-F149 PolarHBondContact O-N 3.01Å; M146-F149 PolarHBondContact O-N 2.86Å; F149-R151 PolarHBondContact O-N 3.37Å; F149-Q152 PolarHBondContact O-N 3.44Å; F149-L153 WeakPolarHBondContact O-CB 3.44Å; F149-L153 VanDerWaalsContact O-CG 3.31Å; F149-L153 WeakPolarHBondContact O-CG 3.36Å; F149-L153 PolarHBondContact O-N 3.09Å
150C92Very high92.9Very high40 Ų4067 Ų6727%0.2734%0.344SS..Hα-helixtrans-58.3-45.8172.3-78.80000111.7M146 G147 L153 A154 L157M146-C150 VanDerWaalsContact O-CB 3.3Å; M146-C150 WeakPolarHBondContact O-CB 3.49Å; M146-C150 PolarHBondContact O-N 2.98Å; M146-C150 PolarHBondContact O-SG 2.7Å; G147-C150 PolarHBondContact O-N 2.92Å; C150-L153 PolarHBondContact O-N 3.46Å; C150-A154 PolarHBondContact O-N 2.95Å; C150-L157 HydrophobicContact CB-CD2 3.66Å
151R89.7Confident92.7Very high76 Ų7674 Ų7429%0.28738%0.376SS..Hα-helixtrans-73.9-27.5176.2-75.3-163.2175.8174.20.5113.6W54 G147 I148 F149 A154 P155W54-R151 HydrophobicContact CH2-CG 4.33Å; W54-R151 VanDerWaalsContact CH2-CZ 3.48Å; G147-R151 PolarHBondContact O-N 3.32Å; I148-R151 PolarHBondContact O-N 2.91Å; F149-R151 PolarHBondContact O-N 3.37Å; R151-A154 CarbonylContact O-C 3.54Å; R151-A154 VanDerWaalsContact O-C 3.28Å; R151-P155 WeakPolarHBondContact O-CA 3.41Å; R151-P155 WeakPolarHBondContact O-CD 3.49Å
152Q91.4Very high92.4Very high141 Ų14177.5 Ų77.566%0.65939%0.393SS*.Hα-helixtrans-67.1-38.8171.6-173177.1-11.200111.5I148 F149I148-Q152 WeakPolarHBondContact O-CB 2.82Å; I148-Q152 PolarHBondContact O-N 3.19Å; F149-Q152 PolarHBondContact O-N 3.44Å
153L92.9Very high92.1Very high153 Ų15378.6 Ų78.680%0.80141%0.406SS*.Hα-helixtrans-75.8-37.2176.1-69171.4000112.5F149 C150F149-L153 WeakPolarHBondContact O-CB 3.44Å; F149-L153 VanDerWaalsContact O-CG 3.31Å; F149-L153 WeakPolarHBondContact O-CG 3.36Å; F149-L153 PolarHBondContact O-N 3.09Å; C150-L153 PolarHBondContact O-N 3.46Å
154A91.7Very high91.9Very high37 Ų3781.3 Ų81.331%0.30642%0.42SS..  trans-140.690.3-179.500000110.2C150 R151 Q156 L157C150-A154 PolarHBondContact O-N 2.95Å; R151-A154 CarbonylContact O-C 3.54Å; R151-A154 VanDerWaalsContact O-C 3.28Å; A154-Q156 PolarHBondContact O-N 3.01Å; A154-L157 HydrophobicContact CB-CB 4.01Å; A154-L157 HydrophobicContact CB-CD1 4.31Å; A154-L157 VanDerWaalsContact O-CB 3.3Å; A154-L157 WeakPolarHBondContact O-CB 3.29Å; A154-L157 PolarHBondContact O-N 3.03Å
155P88.5Confident91.6Very high94 Ų9481.6 Ų81.661%0.6142%0.421SS*.THydrogen-bonded Turntrans-57.2-24.8-174.7-29.636.2000115.7R151R151-P155 WeakPolarHBondContact O-CA 3.41Å; R151-P155 WeakPolarHBondContact O-CD 3.49Å
156Q88.1Confident91.3Very high181 Ų18179.7 Ų79.785%0.84642%0.417SS*.THydrogen-bonded Turntrans-113.432.5179.3-60.9-65.6-13.300111.6A154 P158A154-Q156 PolarHBondContact O-N 3.01Å; Q156-P158 VanDerWaalsContact O-CD 3.29Å; Q156-P158 WeakPolarHBondContact O-CD 3.29Å
157L87.6Confident90.8Very high60 Ų6082.9 Ų82.931%0.31443%0.429SS..PPolyproline II helixtrans-60.5117.4178-174.967.6000109.7T64 C150 A154T64-L157 HydrophobicContact CG2-CD2 3.63Å; T64-L157 HydrophobicContact CG2-CG 4.09Å; C150-L157 HydrophobicContact CB-CD2 3.66Å; A154-L157 HydrophobicContact CB-CB 4.01Å; A154-L157 HydrophobicContact CB-CD1 4.31Å; A154-L157 VanDerWaalsContact O-CB 3.3Å; A154-L157 WeakPolarHBondContact O-CB 3.29Å; A154-L157 PolarHBondContact O-N 3.03Å
158P86.7Confident90.5Very high96 Ų9684 Ų8462%0.62343%0.434SS*.PPolyproline II helixtrans-69.5165.9176.330-36.3000111.1Q156Q156-P158 VanDerWaalsContact O-CD 3.29Å; Q156-P158 WeakPolarHBondContact O-CD 3.29Å
159D90.4Very high90.1Very high88 Ų8882.4 Ų82.447%0.47143%0.425SS..PPolyproline II helixtrans-55.9151.8164.8-67.4-34.3000110.4P62 A63P62-D159 WeakPolarHBondContact CA-OD1 3.37Å; P62-D159 WeakPolarHBondContact CB-OD1 3.39Å; A63-D159 PolarHBondContact N-OD1 3.46Å
160M92.7Very high89.6Confident25 Ų2581.7 Ų81.712%0.12343%0.425CS..PPolyproline II helixtrans-60.2158.917372.7-172.1-67.200110.6A63 T66 A69 Q162 L164 L165A63-M160 HydrophobicContact CB-CG 4.46Å; A63-M160 HydrophobicContact CB-SD 4.46Å; A63-M160 VanDerWaalsContact O-CB 3.26Å; A63-M160 WeakPolarHBondContact O-CB 3.36Å; A63-M160 WeakPolarHBondContact O-CG 3.43Å; A63-M160 PolarHBondContact O-N 3.09Å; T66-M160 HydrophobicContact CG2-CE 4.31Å; A69-M160 HydrophobicContact CB-CE 4Å; A69-M160 HydrophobicContact CB-SD 3.69Å; M160-Q162 PolarHBondContact O-N 3.31Å; M160-L164 HydrophobicContact CE-CB 3.83Å; M160-L164 HydrophobicContact CE-CD2 3.59Å; M160-L164 HydrophobicContact CE-CG 3.47Å; M160-L164 VanDerWaalsContact CE-CG 3.47Å; M160-L165 HydrophobicContact CE-CB 4.46Å; M160-L165 HydrophobicContact CG-CB 4.05Å; M160-L165 HydrophobicContact SD-CB 4.05Å; M160-L165 HydrophobicContact SD-CD1 4.11Å
161Q92.3Very high88.6Confident148 Ų14881.5 Ų81.569%0.69242%0.419SS*.PPolyproline II helixtrans-56.1128.2176.6-65.5175.3-32.100110.7T163 L164 L165Q161-T163 PolarHBondContact O-N 2.64Å; Q161-L164 HydrophobicContact CB-CB 4.25Å; Q161-L164 WeakPolarHBondContact O-CA 3.4Å; Q161-L164 WeakPolarHBondContact O-CB 3.43Å; Q161-L164 PolarHBondContact O-N 2.78Å; Q161-L165 PolarHBondContact O-N 3.26Å
162Q93Very high87.5Confident108 Ų10880.5 Ų80.551%0.50542%0.416SS..Hα-helixtrans-52.8-41.7179.6-172.464.643.700112M160 L164 L165 D166M160-Q162 PolarHBondContact O-N 3.31Å; Q162-L164 PolarHBondContact O-N 2.93Å; Q162-L165 WeakPolarHBondContact O-CB 3.47Å; Q162-L165 PolarHBondContact O-N 3.36Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; Q162-D166 PolarHBondContact NE2-OD1 3.05Å; Q162-D166 WeakPolarHBondContact O-CB 3.31Å; Q162-D166 PolarHBondContact O-N 3.49Å
163T90.9Very high86.6Confident115 Ų11578.4 Ų78.471%0.70641%0.406SS*.Hα-helixtrans-57.2-35.4175.9-44.20000112.7Q161 K167Q161-T163 PolarHBondContact O-N 2.64Å; T163-K167 VanDerWaalsContact O-CB 3.25Å; T163-K167 WeakPolarHBondContact O-CB 3.19Å; T163-K167 PolarHBondContact O-N 3.28Å; T163-K167 VanDerWaalsContact O-N 3.07Å
164L91.1Very high85Confident61 Ų6171.9 Ų71.932%0.31938%0.376SS..Hα-helixtrans-78.4-39.1178.4-172.765.1000111.1T66 M160 Q161 Q162 K167 H168T66-L164 HydrophobicContact CG2-CD2 4.33Å; M160-L164 HydrophobicContact CE-CB 3.83Å; M160-L164 HydrophobicContact CE-CD2 3.59Å; M160-L164 HydrophobicContact CE-CG 3.47Å; M160-L164 VanDerWaalsContact CE-CG 3.47Å; Q161-L164 HydrophobicContact CB-CB 4.25Å; Q161-L164 WeakPolarHBondContact O-CA 3.4Å; Q161-L164 WeakPolarHBondContact O-CB 3.43Å; Q161-L164 PolarHBondContact O-N 2.78Å; Q162-L164 PolarHBondContact O-N 2.93Å; L164-K167 PolarHBondContact O-N 3.36Å; L164-H168 WeakPolarHBondContact O-CB 3.45Å; L164-H168 PolarHBondContact O-CD2 3.49Å; L164-H168 PolarHBondContact O-N 2.96Å
165L91.6Very high83.1Confident7 Ų775.7 Ų75.74%0.03741%0.408CS..Hα-helixtrans-58.2-53.3172.3176.863.1000110.3A63 A69 Y73 M160 Q161 Q162 K167 H168 Y169A63-L165 HydrophobicContact CB-CD1 4.46Å; A69-L165 HydrophobicContact CB-CD1 3.46Å; A69-L165 VanDerWaalsContact CB-CD1 3.46Å; Y73-L165 HydrophobicContact CD2-CD1 4.31Å; Y73-L165 HydrophobicContact CD2-CD2 4.41Å; Y73-L165 HydrophobicContact CD2-CG 4.03Å; Y73-L165 HydrophobicContact CE2-CD2 4.43Å; Y73-L165 HydrophobicContact CE2-CG 4.04Å; M160-L165 HydrophobicContact CE-CB 4.46Å; M160-L165 HydrophobicContact CG-CB 4.05Å; M160-L165 HydrophobicContact SD-CB 4.05Å; M160-L165 HydrophobicContact SD-CD1 4.11Å; Q161-L165 PolarHBondContact O-N 3.26Å; Q162-L165 WeakPolarHBondContact O-CB 3.47Å; Q162-L165 PolarHBondContact O-N 3.36Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.02Å; L165-H168 PolarHBondContact O-N 3.49Å; L165-H168 VanDerWaalsContact O-N 3.11Å; L165-Y169 WeakPolarHBondContact O-CB 3.42Å; L165-Y169 PolarHBondContact O-N 3.27Å
166D89.7Confident81.2Confident46 Ų4680.5 Ų80.525%0.24642%0.419CS..Hα-helixtrans-54.9-47.7176-66.7-12.4000111.2Y73 Q162 H168 L170Y73-D166 WeakPolarHBondContact CE2-OD1 3.27Å; Y73-D166 PolarHBondContact OH-OD1 2.89Å; Q162-D166 PolarHBondContact NE2-OD1 3.05Å; Q162-D166 WeakPolarHBondContact O-CB 3.31Å; Q162-D166 PolarHBondContact O-N 3.49Å; D166-H168 VanDerWaalsContact C-N 3.32Å; D166-H168 PolarHBondContact O-N 3.44Å; D166-L170 HydrophobicContact CB-CD1 4.09Å; D166-L170 WeakPolarHBondContact O-CA 3.31Å; D166-L170 WeakPolarHBondContact O-CB 3.49Å; D166-L170 VanDerWaalsContact O-CG 3.27Å; D166-L170 WeakPolarHBondContact O-CG 3.24Å; D166-L170 PolarHBondContact O-N 3.39Å
167K85.8Confident79.2Confident125 Ų12574.1 Ų74.154%0.54340%0.397SS..Hα-helixtrans-61.3-40.4179-177.3172.3-176.9173.40112.1T163 L164 L165 R171T163-K167 VanDerWaalsContact O-CB 3.25Å; T163-K167 WeakPolarHBondContact O-CB 3.19Å; T163-K167 PolarHBondContact O-N 3.28Å; T163-K167 VanDerWaalsContact O-N 3.07Å; L164-K167 PolarHBondContact O-N 3.36Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.02Å; K167-R171 WeakPolarHBondContact O-CB 3.1Å; K167-R171 WeakPolarHBondContact O-CD 3.37Å; K167-R171 WeakPolarHBondContact O-CG 3.29Å; K167-R171 PolarHBondContact O-N 2.94Å
168H86.6Confident77.1Confident25 Ų2578.4 Ų78.412%0.11641%0.41CS..Hα-helixtrans-78.4-37.6-177.2-90.9-96.4000113.6T66 A69 D70 L164 L165 D166 R171T66-H168 VanDerWaalsContact CB-CE1 3.42Å; T66-H168 WeakPolarHBondContact CB-CE1 3.28Å; T66-H168 WeakPolarHBondContact CB-ND1 3.38Å; T66-H168 WeakPolarHBondContact CG2-CE1 3.15Å; T66-H168 VanDerWaalsContact CG2-NE2 3.34Å; T66-H168 WeakPolarHBondContact CG2-NE2 3.13Å; A69-H168 HydrophobicContact CB-CB 3.6Å; D70-H168 IonicContact OD1-CG 2.72Å; D70-H168 IonicContact OD1-ND1 3.21Å; D70-H168 PolarHBondContact OD1-ND1 3.01Å; L164-H168 WeakPolarHBondContact O-CB 3.45Å; L164-H168 PolarHBondContact O-CD2 3.49Å; L164-H168 PolarHBondContact O-N 2.96Å; L165-H168 PolarHBondContact O-N 3.49Å; L165-H168 VanDerWaalsContact O-N 3.11Å; D166-H168 VanDerWaalsContact C-N 3.32Å; D166-H168 PolarHBondContact O-N 3.44Å; H168-R171 VanDerWaalsContact CE1-CZ 3.45Å; H168-R171 PolarHBondContact CE1-NH2 3.05Å; H168-R171 VanDerWaalsContact ND1-CZ 3.31Å; H168-R171 PolarHBondContact ND1-NH2 3.4Å; H168-R171 WeakPolarHBondContact O-CG 3.36Å; H168-R171 PolarHBondContact O-NE 3.49Å
169Y86.3Confident74.7Confident11 Ų1179 Ų794%0.04340%0.401CS..Hα-helixtrans-78.3-54.1179-171-94000111.2A69 Y73 Q112 L165 R171 K172 H173A69-Y169 VanDerWaalsContact O-CA 3.28Å; A69-Y169 WeakPolarHBondContact O-CA 3.32Å; A69-Y169 VanDerWaalsContact O-CB 3.29Å; A69-Y169 WeakPolarHBondContact O-CB 3.4Å; A69-Y169 WeakPolarHBondContact O-CD2 3.15Å; A69-Y169 PolarHBondContact O-N 3.41Å; Y73-Y169 HydrophobicContact CD1-CD1 4.39Å; Y73-Y169 VanDerWaalsContact CD2-CB 3.44Å; Y73-Y169 AromaticContact CD2-CD1 3.4Å; Y73-Y169 HydrophobicContact CD2-CD1 3.4Å; Y73-Y169 AromaticContact CD2-CD2 3.99Å; Y73-Y169 HydrophobicContact CD2-CD2 3.99Å; Y73-Y169 HydrophobicContact CD2-CE1 4.2Å; Y73-Y169 AromaticContact CD2-CG 3.3Å; Y73-Y169 HydrophobicContact CD2-CG 3.3Å; Y73-Y169 HydrophobicContact CE2-CD1 4.01Å; Y73-Y169 HydrophobicContact CE2-CG 4.12Å; Y73-Y169 AromaticContact CG-CD1 3.63Å; Y73-Y169 HydrophobicContact CG-CD1 3.63Å; Y73-Y169 HydrophobicContact CG-CD2 4.18Å; Y73-Y169 AromaticContact CG-CE1 3.96Å; Y73-Y169 HydrophobicContact CG-CE1 3.96Å; Y73-Y169 HydrophobicContact CG-CE2 4.47Å; Y73-Y169 AromaticContact CG-CG 3.78Å; Y73-Y169 HydrophobicContact CG-CG 3.78Å; Q112-Y169 WeakPolarHBondContact CA-OH 3.32Å; Q112-Y169 HydrophobicContact CB-CE1 4.31Å; Q112-Y169 WeakPolarHBondContact CB-OH 3.32Å; Q112-Y169 HydrophobicContact CG-CE1 4.25Å; L165-Y169 WeakPolarHBondContact O-CB 3.42Å; L165-Y169 PolarHBondContact O-N 3.27Å; Y169-R171 VanDerWaalsContact C-N 3.29Å; Y169-R171 PolarHBondContact O-N 3.03Å; Y169-K172 WeakPolarHBondContact O-CA 3.49Å; Y169-K172 PolarHBondContact O-N 3.45Å; Y169-H173 HydrophobicContact CD1-CB 4.22Å; Y169-H173 AromaticContact CD2-CD2 3.62Å; Y169-H173 HydrophobicContact CE1-CB 3.66Å; Y169-H173 HydrophobicContact CE2-CB 4.4Å; Y169-H173 AromaticContact CE2-CD2 3.33Å; Y169-H173 WeakPolarHBondContact CE2-CD2 3.48Å; Y169-H173 AromaticContact CE2-NE2 3.98Å; Y169-H173 AromaticContact CZ-CD2 3.57Å; Y169-H173 AromaticContact CZ-CG 3.8Å; Y169-H173 PolarHBondContact O-CD2 2.83Å; Y169-H173 PolarHBondContact O-N 3.03Å
170L83.2Confident72.1Confident79 Ų7977.1 Ų77.141%0.41440%0.402SS..Hα-helixtrans-70.4-22.6-174.5-58.6174000113.2D166 K172 G174D166-L170 HydrophobicContact CB-CD1 4.09Å; D166-L170 WeakPolarHBondContact O-CA 3.31Å; D166-L170 WeakPolarHBondContact O-CB 3.49Å; D166-L170 VanDerWaalsContact O-CG 3.27Å; D166-L170 WeakPolarHBondContact O-CG 3.24Å; D166-L170 PolarHBondContact O-N 3.39Å; L170-K172 PolarHBondContact O-N 2.84Å; L170-G174 VanDerWaalsContact O-CA 3.23Å; L170-G174 WeakPolarHBondContact O-CA 3.22Å; L170-G174 PolarHBondContact O-N 2.78Å
171R69.5Low69.9Low36 Ų3679.4 Ų79.414%0.13641%0.413CS..Hα-helixtrans-65.9-27.3171.170-179.9-175.9163.56.3112.5D70 K167 H168 Y169 A177 Y178 Y179D70-R171 IonicContact OD1-CZ 3.27Å; D70-R171 IonicContact OD1-NE 2.64Å; D70-R171 IonicContact OD1-NH2 3.03Å; D70-R171 PolarHBondContact OD1-NH2 3.21Å; D70-R171 IonicContact OD2-NH2 2.98Å; D70-R171 PolarHBondContact OD2-NH2 3.03Å; K167-R171 WeakPolarHBondContact O-CB 3.1Å; K167-R171 WeakPolarHBondContact O-CD 3.37Å; K167-R171 WeakPolarHBondContact O-CG 3.29Å; K167-R171 PolarHBondContact O-N 2.94Å; H168-R171 VanDerWaalsContact CE1-CZ 3.45Å; H168-R171 PolarHBondContact CE1-NH2 3.05Å; H168-R171 VanDerWaalsContact ND1-CZ 3.31Å; H168-R171 PolarHBondContact ND1-NH2 3.4Å; H168-R171 WeakPolarHBondContact O-CG 3.36Å; H168-R171 PolarHBondContact O-NE 3.49Å; Y169-R171 VanDerWaalsContact C-N 3.29Å; Y169-R171 PolarHBondContact O-N 3.03Å; R171-A177 CarbonylContact O-C 3.44Å; R171-A177 WeakPolarHBondContact O-CA 3.36Å; R171-A177 VanDerWaalsContact O-CB 3.31Å; R171-A177 WeakPolarHBondContact O-CB 3.31Å; R171-Y178 HydrophobicContact CB-CE1 4.09Å; R171-Y178 HydrophobicContact CB-CE2 4.49Å; R171-Y178 PolarHBondContact O-N 3.38Å; R171-Y178 VanDerWaalsContact O-N 3.11Å; R171-Y179 CarbonylContact C-O 3.58Å; R171-Y179 HydrophobicContact CG-CD1 4.49Å; R171-Y179 HydrophobicContact CG-CG 4.27Å; R171-Y179 CarbonylContact O-C 3.48Å; R171-Y179 WeakPolarHBondContact O-CA 3.49Å; R171-Y179 PolarHBondContact O-N 2.66Å
172K66.6Low67.9Low54 Ų5478.6 Ų78.624%0.23542%0.418CS..Hα-helixtrans-94-42.4178.2-87.5-179.2165.4-178.30113.2D70 Y169 L170 A177 Y179D70-K172 HydrophobicContact CB-CD 3.99Å; D70-K172 VanDerWaalsContact CG-NZ 3.29Å; D70-K172 WeakPolarHBondContact O-CD 3.33Å; D70-K172 WeakPolarHBondContact OD2-CE 3.43Å; D70-K172 IonicContact OD2-NZ 3.36Å; D70-K172 PolarHBondContact OD2-NZ 2.98Å; Y169-K172 WeakPolarHBondContact O-CA 3.49Å; Y169-K172 PolarHBondContact O-N 3.45Å; L170-K172 PolarHBondContact O-N 2.84Å; K172-A177 WeakPolarHBondContact O-CB 3.5Å; K172-Y179 WeakPolarHBondContact CA-O 3.4Å; K172-Y179 WeakPolarHBondContact CG-O 3.3Å; K172-Y179 PolarHBondContact N-O 3.17Å
173H74.4Confident66.6Low97 Ų9775.2 Ų75.245%0.44941%0.408SS..Hα-helixtrans-120.1-5.7-167.3-55-67.9000114D70 Y169D70-H173 PolarHBondContact O-NE2 3Å; Y169-H173 HydrophobicContact CD1-CB 4.22Å; Y169-H173 AromaticContact CD2-CD2 3.62Å; Y169-H173 HydrophobicContact CE1-CB 3.66Å; Y169-H173 HydrophobicContact CE2-CB 4.4Å; Y169-H173 AromaticContact CE2-CD2 3.33Å; Y169-H173 WeakPolarHBondContact CE2-CD2 3.48Å; Y169-H173 AromaticContact CE2-NE2 3.98Å; Y169-H173 AromaticContact CZ-CD2 3.57Å; Y169-H173 AromaticContact CZ-CG 3.8Å; Y169-H173 PolarHBondContact O-CD2 2.83Å; Y169-H173 PolarHBondContact O-N 3.03Å
174G58.5Low66.4Low16 Ų1671.7 Ų71.717%0.16538%0.384CS..SBendtrans-78162.3-178.600000113.3L170 K176 A177L170-G174 VanDerWaalsContact O-CA 3.23Å; L170-G174 WeakPolarHBondContact O-CA 3.22Å; L170-G174 PolarHBondContact O-N 2.78Å; G174-K176 PolarHBondContact O-N 2.89Å; G174-A177 VanDerWaalsContact O-CB 3.23Å; G174-A177 WeakPolarHBondContact O-CB 3.23Å; G174-A177 PolarHBondContact O-N 2.84Å
175A51.4Low66.6Low117 Ų11769.5 Ų69.597%0.96737%0.374SS*.THydrogen-bonded Turntrans-60.1-15.3-179.800000114.9
176K48.7Very low66.9Low195 Ų19569.1 Ų69.185%0.84837%0.372SS*.THydrogen-bonded Turntrans-117.829.3173.2-63.4-173.9179.4179.70112.1G174 Y178G174-K176 PolarHBondContact O-N 2.89Å; K176-Y178 PolarHBondContact O-N 2.92Å; K176-Y178 VanDerWaalsContact O-N 3.16Å
177A45.5Very low67.3Low48 Ų4867 Ų6740%0.39736%0.361SS..  trans-50.9122.3-179.700000110.5R171 K172 G174R171-A177 CarbonylContact O-C 3.44Å; R171-A177 WeakPolarHBondContact O-CA 3.36Å; R171-A177 VanDerWaalsContact O-CB 3.31Å; R171-A177 WeakPolarHBondContact O-CB 3.31Å; K172-A177 WeakPolarHBondContact O-CB 3.5Å; G174-A177 VanDerWaalsContact O-CB 3.23Å; G174-A177 WeakPolarHBondContact O-CB 3.23Å; G174-A177 PolarHBondContact O-N 2.84Å
178Y43.9Very low67.9Low149 Ų14961.1 Ų61.158%0.58434%0.335SS*.  trans-119.4-3.8177.263.1-93000111.5R171 K176R171-Y178 HydrophobicContact CB-CE1 4.09Å; R171-Y178 HydrophobicContact CB-CE2 4.49Å; R171-Y178 PolarHBondContact O-N 3.38Å; R171-Y178 VanDerWaalsContact O-N 3.11Å; K176-Y178 PolarHBondContact O-N 2.92Å; K176-Y178 VanDerWaalsContact O-N 3.16Å
179Y36.6Very low68.4Low108 Ų10860 Ų6042%0.42433%0.33SS..SBendtrans-128.999.7-174.5-149.2-87.5000108.7R171 K172R171-Y179 CarbonylContact C-O 3.58Å; R171-Y179 HydrophobicContact CG-CD1 4.49Å; R171-Y179 HydrophobicContact CG-CG 4.27Å; R171-Y179 CarbonylContact O-C 3.48Å; R171-Y179 WeakPolarHBondContact O-CA 3.49Å; R171-Y179 PolarHBondContact O-N 2.66Å; K172-Y179 WeakPolarHBondContact CA-O 3.4Å; K172-Y179 WeakPolarHBondContact CG-O 3.3Å; K172-Y179 PolarHBondContact N-O 3.17Å
180G36.9Very low69Low49 Ų4960.2 Ų60.251%0.50533%0.333SS..SBendtrans134.851.8-147.400000103.8V182G180-V182 PolarHBondContact O-N 2.96Å; G180-V182 VanDerWaalsContact O-N 3.14Å
181H45.4Very low69.7Low74 Ų7458.1 Ų58.134%0.34332%0.32SS..  trans-49.5127.2180-64.3-81.7000105.9A183 G309H181-A183 PolarHBondContact O-N 3.39Å; H181-G309 PolarHBondContact ND1-O 3.24Å
182V49.5Very low70.9Confident131 Ų13158.8 Ų58.879%0.79432%0.324SS*.  trans-61.591.4166.8-169.90000104.1G180 Q184G180-V182 PolarHBondContact O-N 2.96Å; G180-V182 VanDerWaalsContact O-N 3.14Å; V182-Q184 PolarHBondContact O-N 3.46Å
183A66.4Low72.4Confident37 Ų3759.8 Ų59.831%0.30633%0.326SS..  trans-57.3114.316700000103H181 W306 V307 E308H181-A183 PolarHBondContact O-N 3.39Å; A183-W306 HydrophobicContact CB-CD2 4.31Å; A183-W306 HydrophobicContact CB-CE3 3.64Å; A183-W306 HydrophobicContact CB-CZ3 4.11Å; A183-W306 WeakPolarHBondContact O-CZ3 3.29Å; A183-V307 WeakPolarHBondContact CA-O 3.47Å; A183-E308 HydrophobicContact CB-CG 4.24Å
184Q87.3Confident73.4Confident41 Ų4162.1 Ų62.119%0.19233%0.331CS..EExtended strand (participates in β ladder)trans-97.3132.5179.7-171.3171.9-8.900106.9V182 T208 V307V182-Q184 PolarHBondContact O-N 3.46Å; Q184-T208 HydrophobicContact CG-CG2 4.37Å; Q184-T208 VanDerWaalsContact NE2-CB 3.26Å; Q184-T208 PolarHBondContact NE2-OG1 3.5Å; Q184-V307 HydrophobicContact CB-CG1 3.99Å; Q184-V307 PolarHBondContact N-O 3.17Å; Q184-V307 VanDerWaalsContact N-O 3.13Å; Q184-V307 WeakPolarHBondContact O-CG1 3.48Å; Q184-V307 PolarHBondContact O-N 2.94Å
185A94.9Very high75.2Confident14 Ų1463.4 Ų63.412%0.11633%0.334CS..EExtended strand (participates in β ladder)trans-74140.7170.800000108.6W306 Y327A185-W306 HydrophobicContact CB-CE3 4.2Å; A185-W306 HydrophobicContact CB-CH2 4.14Å; A185-W306 HydrophobicContact CB-CZ3 3.82Å; A185-Y327 HydrophobicContact CB-CD1 4.4Å; A185-Y327 HydrophobicContact CB-CD2 3.44Å; A185-Y327 VanDerWaalsContact CB-CD2 3.44Å; A185-Y327 HydrophobicContact CB-CE2 3.76Å; A185-Y327 HydrophobicContact CB-CG 3.8Å
186G97Very high77.3Confident0 Ų059.5 Ų59.50%030%0.299CS..EExtended strand (participates in β ladder)trans-156.1164.4178.900000111.9A207 V305 Y327G186-A207 CarbonylContact C-O 3.6Å; G186-A207 WeakPolarHBondContact CA-O 3.48Å; G186-V305 PolarHBondContact N-O 2.89Å; G186-V305 WeakPolarHBondContact O-CG2 3.26Å; G186-V305 PolarHBondContact O-N 3.15Å; G186-Y327 VanDerWaalsContact C-CD1 3.47Å; G186-Y327 VanDerWaalsContact C-CE1 3.42Å; G186-Y327 VanDerWaalsContact CA-CE1 3.47Å; G186-Y327 WeakPolarHBondContact O-CD1 2.95Å
187F98.5Very high79.4Confident0 Ų056.5 Ų56.50%030%0.299CS..EExtended strand (participates in β ladder)trans-126.8121.4177.8-169.1-75.2000109.5L189 L206 A207 S303 P304 Y327 P329 L534 A537 V544F187-L189 HydrophobicContact CD1-CD2 4.39Å; F187-L189 PolarHBondContact O-N 2.97Å; F187-L206 CarbonylContact O-C 3.52Å; F187-L206 VanDerWaalsContact O-CA 3.27Å; F187-L206 WeakPolarHBondContact O-CA 3.28Å; F187-A207 PolarHBondContact N-O 3.43Å; F187-A207 PolarHBondContact O-N 2.95Å; F187-S303 WeakPolarHBondContact CA-O 3.41Å; F187-P304 HydrophobicContact CD2-CB 4.41Å; F187-P304 HydrophobicContact CD2-CG 3.96Å; F187-P304 HydrophobicContact CE2-CG 3.89Å; F187-Y327 HydrophobicContact CB-CD1 4.14Å; F187-Y327 HydrophobicContact CB-CE1 4Å; F187-P329 HydrophobicContact CB-CB 4.06Å; F187-P329 HydrophobicContact CB-CG 3.58Å; F187-P329 HydrophobicContact CD1-CG 4.37Å; F187-P329 HydrophobicContact CD2-CG 4.42Å; F187-P329 HydrophobicContact CG-CG 3.89Å; F187-L534 HydrophobicContact CD1-CD2 4.12Å; F187-L534 HydrophobicContact CE1-CD2 3.51Å; F187-L534 HydrophobicContact CE2-CB 4.43Å; F187-L534 HydrophobicContact CE2-CD2 4.15Å; F187-L534 HydrophobicContact CZ-CB 4.18Å; F187-L534 HydrophobicContact CZ-CD2 3.51Å; F187-L534 HydrophobicContact CZ-CG 4.45Å; F187-A537 HydrophobicContact CZ-CB 4.5Å; F187-V544 HydrophobicContact CE1-CG2 3.56Å; F187-V544 HydrophobicContact CZ-CG2 4.14Å
188I98.6Very high81.7Confident2 Ų261.3 Ų61.31%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-65117.9-177.4-61.4164.9000110.1R191 F204 L206 L296 I301 S303 V305 L321I188-R191 HydrophobicContact CG2-CG 3.93Å; I188-F204 HydrophobicContact CG2-CD1 4.14Å; I188-L206 HydrophobicContact CB-CD2 4.11Å; I188-L206 HydrophobicContact CG1-CD2 3.39Å; I188-L296 HydrophobicContact CD1-CD1 3.9Å; I188-L296 HydrophobicContact CD1-CD2 3.53Å; I188-L296 HydrophobicContact CD1-CG 4.38Å; I188-I301 HydrophobicContact CD1-CG2 3.91Å; I188-S303 WeakPolarHBondContact CG1-O 3.41Å; I188-S303 PolarHBondContact N-O 3.39Å; I188-V305 HydrophobicContact CD1-CG1 3.8Å; I188-V305 HydrophobicContact CG1-CG1 4.25Å; I188-V305 HydrophobicContact CG1-CG2 4.21Å; I188-L321 HydrophobicContact CD1-CD1 4.48Å
189L98.3Very high84.2Confident2 Ų254.5 Ų54.51%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-89.3-54.2171.9-58.7-174.8000111.2F187 W205 A207 L331 D399 L454F187-L189 HydrophobicContact CD1-CD2 4.39Å; F187-L189 PolarHBondContact O-N 2.97Å; L189-W205 PolarHBondContact N-O 2.84Å; L189-A207 HydrophobicContact CD1-CB 4.03Å; L189-A207 HydrophobicContact CD2-CB 3.97Å; L189-A207 HydrophobicContact CG-CB 4.01Å; L189-L331 HydrophobicContact CD2-CD2 4.01Å; L189-D399 HydrophobicContact CD1-CB 4.15Å; L189-L454 HydrophobicContact CB-CD2 4.21Å; L189-L454 HydrophobicContact CB-CG 4.31Å; L189-L454 HydrophobicContact CD2-CD1 3.87Å; L189-L454 HydrophobicContact CD2-CG 4.04Å; L189-L454 VanDerWaalsContact O-CD2 3.28Å; L189-L454 WeakPolarHBondContact O-CD2 3.38Å
190T98Very high87.1Confident16 Ų1649.4 Ų49.410%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-135.6154-175.164.30000111.9H192 F204 W205 G452 R453T190-H192 WeakPolarHBondContact CB-NE2 3.45Å; T190-H192 PolarHBondContact OG1-NE2 2.68Å; T190-F204 WeakPolarHBondContact O-CA 3.48Å; T190-W205 PolarHBondContact O-N 3.19Å; T190-W205 VanDerWaalsContact O-N 3.09Å; T190-G452 VanDerWaalsContact OG1-CA 3.25Å; T190-G452 WeakPolarHBondContact OG1-CA 3.46Å; T190-G452 PolarHBondContact OG1-N 3.04Å; T190-R453 VanDerWaalsContact CG2-O 3.27Å; T190-R453 WeakPolarHBondContact CG2-O 3.49Å
191R97.4Very high90Very high35 Ų3549.4 Ų49.413%0.13226%0.255CS..EExtended strand (participates in β ladder)trans-127.8130.6-170.6-54.3170.2-172.4172-2.4108.6I188 F204 P292 E293 L296 T302 G541I188-R191 HydrophobicContact CG2-CG 3.93Å; R191-F204 HydrophobicContact CB-CD1 4.22Å; R191-F204 HydrophobicContact CB-CE1 4.24Å; R191-F204 HydrophobicContact CG-CD1 3.98Å; R191-F204 HydrophobicContact CG-CE1 4.09Å; R191-P292 HydrophobicContact CB-CB 3.87Å; R191-P292 HydrophobicContact CB-CG 4.44Å; R191-E293 IonicContact NH1-OE1 2.78Å; R191-L296 HydrophobicContact CG-CD1 4.41Å; R191-T302 PolarHBondContact NH2-O 3.38Å; R191-G541 PolarHBondContact NH1-O 2.96Å; R191-G541 VanDerWaalsContact NH1-O 3.16Å; R191-G541 PolarHBondContact NH2-O 3.02Å
192H96.2Very high92.5Very high50 Ų5045.9 Ų45.923%0.23124%0.239CC..EExtended strand (participates in β ladder)trans-136.3148.1-172.3-56.3-77.4000111T190 S203 W205T190-H192 WeakPolarHBondContact CB-NE2 3.45Å; T190-H192 PolarHBondContact OG1-NE2 2.68Å; H192-S203 PolarHBondContact N-O 3.45Å; H192-S203 PolarHBondContact O-N 3.02Å; H192-W205 AromaticContact CD2-CD1 3.87Å; H192-W205 AromaticContact NE2-CD1 3.78Å
193W96.1Very high94.8Very high74 Ų7439.9 Ų39.928%0.2820%0.203SC..EExtended strand (participates in β ladder)trans-148.6151.816867.9-83.8000110.8T200 E201 V202 H267 R268 P291 P292W193-T200 HydrophobicContact CE3-CG2 4.11Å; W193-E201 CarbonylContact C-O 3.55Å; W193-E201 WeakPolarHBondContact CA-O 3.15Å; W193-V202 HydrophobicContact CB-CG2 4.31Å; W193-H267 HydrophobicContact CE3-CB 4.03Å; W193-H267 HydrophobicContact CH2-CB 4.04Å; W193-H267 AromaticContact CH2-CD2 3.59Å; W193-H267 AromaticContact CZ2-CD2 3.74Å; W193-H267 HydrophobicContact CZ3-CB 3.61Å; W193-R268 HydrophobicContact CH2-CG 4.33Å; W193-P291 HydrophobicContact CB-CB 4.21Å; W193-P291 HydrophobicContact CB-CG 4.26Å; W193-P291 HydrophobicContact CD2-CG 4.04Å; W193-P291 HydrophobicContact CE3-CG 4.25Å; W193-P291 HydrophobicContact CG-CB 4.42Å; W193-P291 HydrophobicContact CG-CG 4.04Å; W193-P292 HydrophobicContact CB-CG 3.89Å; W193-P292 HydrophobicContact CG-CG 4.16Å
194R95.5Very high96.3Very high146 Ų14638.1 Ų38.155%0.55119%0.188SC*.EExtended strand (participates in β ladder)trans-151145.4170.560.5-178.5177.2169.26.1110.7T196 E201R194-T196 HydrophobicContact CG-CG2 4.18Å; R194-E201 HydrophobicContact CG-CB 4.13Å; R194-E201 IonicContact CZ-OE1 3.87Å; R194-E201 VanDerWaalsContact CZ-OE1 3.31Å; R194-E201 IonicContact CZ-OE2 3.88Å; R194-E201 PolarHBondContact N-O 3.48Å; R194-E201 IonicContact NE-OE1 3.91Å; R194-E201 PolarHBondContact NE-OE1 3.11Å; R194-E201 IonicContact NE-OE2 3.61Å; R194-E201 IonicContact NH2-OE1 3.63Å; R194-E201 PolarHBondContact NH2-OE1 3.19Å; R194-E201 IonicContact NH2-OE2 2.94Å; R194-E201 PolarHBondContact NH2-OE2 2.72Å; R194-E201 PolarHBondContact O-N 2.82Å
195D96.1Very high96.9Very high43 Ų4337.2 Ų37.223%0.2318%0.183CC..EExtended strand (participates in β ladder)trans-78131.7171.1-67.3-36.5000109.7T200 A266 H267 R268D195-T200 PolarHBondContact OD1-OG1 3.39Å; D195-T200 VanDerWaalsContact OD1-OG1 3.14Å; D195-A266 HydrophobicContact CB-CB 4.22Å; D195-A266 WeakPolarHBondContact OD1-CA 3.34Å; D195-H267 PolarHBondContact OD1-N 2.93Å; D195-H267 PolarHBondContact OD2-N 2.72Å; D195-R268 WeakPolarHBondContact OD2-CB 3.37Å; D195-R268 WeakPolarHBondContact OD2-CG 3.46Å; D195-R268 PolarHBondContact OD2-N 3.36Å
196T95.5Very high97Very high36 Ų3636.6 Ų36.622%0.22118%0.178CC..EExtended strand (participates in β ladder)trans-126.6164.217575.90000109.7R194 Q198 G199 E201R194-T196 HydrophobicContact CG-CG2 4.18Å; T196-Q198 PolarHBondContact O-N 3.27Å; T196-Q198 VanDerWaalsContact O-N 3.15Å; T196-Q198 PolarHBondContact OG1-N 3.25Å; T196-G199 WeakPolarHBondContact CB-O 3.45Å; T196-G199 PolarHBondContact N-O 3.13Å; T196-G199 PolarHBondContact O-N 3.45Å; T196-G199 PolarHBondContact OG1-N 2.82Å; T196-G199 PolarHBondContact OG1-O 3.45Å; T196-E201 HydrophobicContact CG2-CB 4.1Å
197P94.3Very high97.1Very high131 Ų13136.6 Ų36.685%0.85118%0.178SC*.THydrogen-bonded Turntrans-55.8-27.7172.7-26.436.1000114
198Q93.9Very high97Very high149 Ų14936.8 Ų36.870%0.69618%0.179SC*.THydrogen-bonded Turntrans-83-11.1178.7-65.274.419.600113.2T196T196-Q198 PolarHBondContact O-N 3.27Å; T196-Q198 VanDerWaalsContact O-N 3.15Å; T196-Q198 PolarHBondContact OG1-N 3.25Å
199G95.6Very high96.9Very high7 Ų741.9 Ų41.97%0.07221%0.207CC..EExtended strand (participates in β ladder)trans129-176.4-17700000112.7T196 E201T196-G199 WeakPolarHBondContact CB-O 3.45Å; T196-G199 PolarHBondContact N-O 3.13Å; T196-G199 PolarHBondContact O-N 3.45Å; T196-G199 PolarHBondContact OG1-N 2.82Å; T196-G199 PolarHBondContact OG1-O 3.45Å; G199-E201 PolarHBondContact O-N 3.35Å
200T97.9Very high96.6Very high0 Ų048.9 Ų48.90%024%0.244CC..EExtended strand (participates in β ladder)trans-74.1111.3178.7-48.50000109.9W193 D195 V202 P219 Q220 R265 A266 H267 P291W193-T200 HydrophobicContact CE3-CG2 4.11Å; D195-T200 PolarHBondContact OD1-OG1 3.39Å; D195-T200 VanDerWaalsContact OD1-OG1 3.14Å; T200-V202 HydrophobicContact CG2-CG2 4.42Å; T200-P219 WeakPolarHBondContact O-CA 3.49Å; T200-Q220 VanDerWaalsContact CB-O 3.26Å; T200-Q220 WeakPolarHBondContact CB-O 3.36Å; T200-Q220 PolarHBondContact O-N 3.38Å; T200-Q220 PolarHBondContact OG1-O 3.27Å; T200-R265 PolarHBondContact N-O 3.39Å; T200-R265 PolarHBondContact OG1-O 3.28Å; T200-R265 VanDerWaalsContact OG1-O 3.09Å; T200-A266 WeakPolarHBondContact OG1-CA 3.13Å; T200-H267 HydrophobicContact CG2-CB 4.45Å; T200-H267 PolarHBondContact OG1-N 2.89Å; T200-P291 HydrophobicContact CG2-CB 4.11Å; T200-P291 HydrophobicContact CG2-CG 3.86Å
201E97.9Very high96.4Very high49 Ų4949.2 Ų49.223%0.22925%0.25CS..EExtended strand (participates in β ladder)trans-79.2130.3172.4-172.2-167.689.200108.8W193 R194 T196 G199 T216W193-E201 CarbonylContact C-O 3.55Å; W193-E201 WeakPolarHBondContact CA-O 3.15Å; R194-E201 HydrophobicContact CG-CB 4.13Å; R194-E201 IonicContact CZ-OE1 3.87Å; R194-E201 VanDerWaalsContact CZ-OE1 3.31Å; R194-E201 IonicContact CZ-OE2 3.88Å; R194-E201 PolarHBondContact N-O 3.48Å; R194-E201 IonicContact NE-OE1 3.91Å; R194-E201 PolarHBondContact NE-OE1 3.11Å; R194-E201 IonicContact NE-OE2 3.61Å; R194-E201 IonicContact NH2-OE1 3.63Å; R194-E201 PolarHBondContact NH2-OE1 3.19Å; R194-E201 IonicContact NH2-OE2 2.94Å; R194-E201 PolarHBondContact NH2-OE2 2.72Å; R194-E201 PolarHBondContact O-N 2.82Å; T196-E201 HydrophobicContact CG2-CB 4.1Å; G199-E201 PolarHBondContact O-N 3.35Å; E201-T216 HydrophobicContact CG-CG2 3.84Å
202V98.2Very high96.4Very high0 Ų049.9 Ų49.90%026%0.259CS..EExtended strand (participates in β ladder)trans-121.2128.5176.4177.20000108.1W193 T200 F204 L217 Q220 P291 P292W193-V202 HydrophobicContact CB-CG2 4.31Å; T200-V202 HydrophobicContact CG2-CG2 4.42Å; V202-F204 HydrophobicContact CG1-CE2 3.81Å; V202-F204 HydrophobicContact CG1-CZ 3.77Å; V202-L217 HydrophobicContact CB-CB 4.39Å; V202-L217 HydrophobicContact CB-CD1 3.95Å; V202-L217 HydrophobicContact CB-CG 4.22Å; V202-L217 HydrophobicContact CG1-CD1 3.79Å; V202-L217 HydrophobicContact CG1-CG 4.24Å; V202-L217 PolarHBondContact O-N 2.81Å; V202-Q220 HydrophobicContact CB-CG 4.18Å; V202-Q220 HydrophobicContact CG2-CB 4.03Å; V202-Q220 HydrophobicContact CG2-CG 3.69Å; V202-P291 HydrophobicContact CG2-CB 3.66Å; V202-P292 HydrophobicContact CG1-CB 4.18Å; V202-P292 HydrophobicContact CG1-CG 4.19Å
203S97.6Very high96.4Very high5 Ų547.9 Ų47.94%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-137.2153.9178.556.80000113H192 V215H192-S203 PolarHBondContact N-O 3.45Å; H192-S203 PolarHBondContact O-N 3.02Å; S203-V215 CarbonylContact C-O 3.57Å; S203-V215 WeakPolarHBondContact CA-O 3.45Å; S203-V215 VanDerWaalsContact CB-O 3.26Å; S203-V215 WeakPolarHBondContact CB-O 3.14Å
204F98.3Very high96.5Very high0 Ų046.5 Ų46.50%025%0.247CC..EExtended strand (participates in β ladder)trans-129.8151.8179.4-55.4-81.4000109.2I188 T190 R191 V202 L206 V215 L217 P292 Y295 L296 L321I188-F204 HydrophobicContact CG2-CD1 4.14Å; T190-F204 WeakPolarHBondContact O-CA 3.48Å; R191-F204 HydrophobicContact CB-CD1 4.22Å; R191-F204 HydrophobicContact CB-CE1 4.24Å; R191-F204 HydrophobicContact CG-CD1 3.98Å; R191-F204 HydrophobicContact CG-CE1 4.09Å; V202-F204 HydrophobicContact CG1-CE2 3.81Å; V202-F204 HydrophobicContact CG1-CZ 3.77Å; F204-L206 HydrophobicContact CB-CD2 4.26Å; F204-V215 PolarHBondContact N-O 2.88Å; F204-V215 PolarHBondContact O-N 2.94Å; F204-L217 HydrophobicContact CE2-CD1 3.94Å; F204-L217 HydrophobicContact CE2-CD2 4.16Å; F204-L217 HydrophobicContact CE2-CG 4.03Å; F204-P292 HydrophobicContact CE1-CB 3.83Å; F204-P292 HydrophobicContact CZ-CB 4.12Å; F204-Y295 HydrophobicContact CE2-CD1 4.2Å; F204-Y295 HydrophobicContact CZ-CD1 4.21Å; F204-L296 HydrophobicContact CD1-CD1 4.44Å; F204-L296 HydrophobicContact CE1-CD1 3.7Å; F204-L296 HydrophobicContact CE1-CD2 3.83Å; F204-L296 HydrophobicContact CE1-CG 3.81Å; F204-L296 HydrophobicContact CE2-CD2 4.44Å; F204-L296 HydrophobicContact CZ-CD1 4.33Å; F204-L296 HydrophobicContact CZ-CD2 3.77Å; F204-L296 HydrophobicContact CZ-CG 3.92Å; F204-L321 HydrophobicContact CD2-CD1 3.65Å; F204-L321 HydrophobicContact CE2-CD1 3.83Å; F204-L321 HydrophobicContact CG-CD1 4.22Å
205W98.4Very high96.5Very high23 Ų2339.5 Ų39.59%0.08722%0.221CC..EExtended strand (participates in β ladder)trans-111125.3164.1-79.383.8000108.8L189 T190 H192 P212 Q214 R429 D430L189-W205 PolarHBondContact N-O 2.84Å; T190-W205 PolarHBondContact O-N 3.19Å; T190-W205 VanDerWaalsContact O-N 3.09Å; H192-W205 AromaticContact CD2-CD1 3.87Å; H192-W205 AromaticContact NE2-CD1 3.78Å; W205-P212 HydrophobicContact CE3-CB 4.17Å; W205-P212 HydrophobicContact CZ3-CB 4.12Å; W205-Q214 HydrophobicContact CD2-CB 4.18Å; W205-Q214 HydrophobicContact CD2-CG 4.49Å; W205-Q214 HydrophobicContact CE3-CB 4.23Å; W205-Q214 HydrophobicContact CH2-CB 3.92Å; W205-Q214 HydrophobicContact CZ2-CB 3.84Å; W205-Q214 HydrophobicContact CZ2-CG 4.04Å; W205-Q214 HydrophobicContact CZ3-CB 4.1Å; W205-R429 HydrophobicContact CH2-CB 3.84Å; W205-R429 HydrophobicContact CZ2-CB 3.85Å; W205-R429 HydrophobicContact CZ3-CB 4.2Å; W205-R429 VanDerWaalsContact CZ3-CD 3.47Å; W205-R429 HydrophobicContact CZ3-CG 4.44Å; W205-D430 HydrophobicContact CZ2-CB 4.35Å
206L98.3Very high96.6Very high0 Ų038.6 Ų38.60%022%0.217CC..EExtended strand (participates in β ladder)trans-105141.1178.1-47.5-176000109.8F187 I188 F204 T208 P212 L213 V215 V305 V307F187-L206 CarbonylContact O-C 3.52Å; F187-L206 VanDerWaalsContact O-CA 3.27Å; F187-L206 WeakPolarHBondContact O-CA 3.28Å; I188-L206 HydrophobicContact CB-CD2 4.11Å; I188-L206 HydrophobicContact CG1-CD2 3.39Å; F204-L206 HydrophobicContact CB-CD2 4.26Å; L206-T208 HydrophobicContact CB-CG2 4.2Å; L206-P212 WeakPolarHBondContact O-CA 3.48Å; L206-L213 HydrophobicContact CB-CB 4.4Å; L206-L213 PolarHBondContact N-O 3.12Å; L206-L213 PolarHBondContact O-N 2.97Å; L206-V215 HydrophobicContact CD1-CG2 3.62Å; L206-V215 HydrophobicContact CG-CG2 3.82Å; L206-V305 HydrophobicContact CD1-CG2 3.86Å; L206-V305 HydrophobicContact CD2-CG2 3.9Å; L206-V307 HydrophobicContact CD1-CB 4.01Å; L206-V307 HydrophobicContact CD1-CG1 3.81Å
207A98.5Very high96.7Very high1 Ų137.3 Ų37.31%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-85.8127157.700000108.8G186 F187 L189 P329 L331G186-A207 CarbonylContact C-O 3.6Å; G186-A207 WeakPolarHBondContact CA-O 3.48Å; F187-A207 PolarHBondContact N-O 3.43Å; F187-A207 PolarHBondContact O-N 2.95Å; L189-A207 HydrophobicContact CD1-CB 4.03Å; L189-A207 HydrophobicContact CD2-CB 3.97Å; L189-A207 HydrophobicContact CG-CB 4.01Å; A207-P329 HydrophobicContact CB-CB 3.47Å; A207-P329 VanDerWaalsContact CB-CB 3.47Å; A207-P329 HydrophobicContact CB-CG 3.89Å; A207-L331 HydrophobicContact CB-CD2 3.61Å
208T97.3Very high96.8Very high3 Ų333 Ų332%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-124167.5178.578.80000109.5Q184 L206 N210 G211 L213 Y327Q184-T208 HydrophobicContact CG-CG2 4.37Å; Q184-T208 VanDerWaalsContact NE2-CB 3.26Å; Q184-T208 PolarHBondContact NE2-OG1 3.5Å; L206-T208 HydrophobicContact CB-CG2 4.2Å; T208-N210 PolarHBondContact O-N 3.03Å; T208-N210 VanDerWaalsContact O-N 3.11Å; T208-N210 PolarHBondContact OG1-N 3.46Å; T208-G211 WeakPolarHBondContact CA-O 3.31Å; T208-G211 WeakPolarHBondContact CB-O 3.4Å; T208-G211 PolarHBondContact N-O 3.43Å; T208-G211 PolarHBondContact O-N 3.24Å; T208-G211 PolarHBondContact OG1-O 2.9Å; T208-L213 HydrophobicContact CG2-CB 3.81Å; T208-L213 HydrophobicContact CG2-CD2 4.06Å; T208-Y327 WeakPolarHBondContact CA-OH 3.44Å
209D95Very high96.9Very high110 Ų11029.7 Ų29.759%0.58818%0.175SC*.THydrogen-bonded Turntrans-57.5-26.6174.7-64.2-31.5000112.8G211 Y327 P330D209-G211 VanDerWaalsContact C-N 3.34Å; D209-Y327 PolarHBondContact N-OH 3.25Å; D209-Y327 PolarHBondContact OD1-OH 2.98Å; D209-P330 WeakPolarHBondContact OD1-CD 3.41Å
210N93Very high97Very high148 Ų14831.9 Ų31.979%0.79118%0.184SC*.THydrogen-bonded Turntrans-93.814.1178.7-61.2-51.4000113.2T208T208-N210 PolarHBondContact O-N 3.03Å; T208-N210 VanDerWaalsContact O-N 3.11Å; T208-N210 PolarHBondContact OG1-N 3.46Å
211G93.5Very high97Very high23 Ų2334.8 Ų34.824%0.23720%0.197CC..EExtended strand (participates in β ladder)trans91.4-154.8-175.500000112.8T208 D209T208-G211 WeakPolarHBondContact CA-O 3.31Å; T208-G211 WeakPolarHBondContact CB-O 3.4Å; T208-G211 PolarHBondContact N-O 3.43Å; T208-G211 PolarHBondContact O-N 3.24Å; T208-G211 PolarHBondContact OG1-O 2.9Å; D209-G211 VanDerWaalsContact C-N 3.34Å
212P97.1Very high97Very high49 Ų4932.8 Ų32.832%0.31819%0.189SC..EExtended strand (participates in β ladder)trans-83.1142.9-167.234.7-39.3000114.4W205 L206 D397 R429W205-P212 HydrophobicContact CE3-CB 4.17Å; W205-P212 HydrophobicContact CZ3-CB 4.12Å; L206-P212 WeakPolarHBondContact O-CA 3.48Å; P212-D397 WeakPolarHBondContact CG-OD2 3.2Å; P212-R429 VanDerWaalsContact CB-NH2 3.32Å
213L96.8Very high97.1Very high9 Ų934 Ų345%0.04720%0.196CC..EExtended strand (participates in β ladder)trans-131.6117.8-178.9-175.262.5000110.5L206 T208 V215 V307 I316L206-L213 HydrophobicContact CB-CB 4.4Å; L206-L213 PolarHBondContact N-O 3.12Å; L206-L213 PolarHBondContact O-N 2.97Å; T208-L213 HydrophobicContact CG2-CB 3.81Å; T208-L213 HydrophobicContact CG2-CD2 4.06Å; L213-V215 HydrophobicContact CD2-CG2 4.34Å; L213-V215 HydrophobicContact CG-CG2 4.11Å; L213-V307 HydrophobicContact CD2-CG1 4.03Å; L213-I316 HydrophobicContact CD1-CG1 4.15Å; L213-I316 HydrophobicContact CD2-CD1 3.73Å; L213-I316 HydrophobicContact CD2-CG1 4.23Å; L213-I316 HydrophobicContact CG-CD1 4.44Å; L213-I316 HydrophobicContact CG-CG1 4.42Å
214Q97.7Very high97.1Very high44 Ų4433.7 Ų33.721%0.20619%0.194CC..EExtended strand (participates in β ladder)trans-79.2133.8169.2-171.6-179.59.400109.6W205 A315 I316W205-Q214 HydrophobicContact CD2-CB 4.18Å; W205-Q214 HydrophobicContact CD2-CG 4.49Å; W205-Q214 HydrophobicContact CE3-CB 4.23Å; W205-Q214 HydrophobicContact CH2-CB 3.92Å; W205-Q214 HydrophobicContact CZ2-CB 3.84Å; W205-Q214 HydrophobicContact CZ2-CG 4.04Å; W205-Q214 HydrophobicContact CZ3-CB 4.1Å; Q214-A315 HydrophobicContact CB-CB 3.99Å; Q214-A315 HydrophobicContact CG-CB 4.49Å; Q214-A315 CarbonylContact O-C 3.59Å; Q214-A315 WeakPolarHBondContact O-CA 3.18Å; Q214-A315 WeakPolarHBondContact O-CB 3.41Å; Q214-I316 PolarHBondContact O-N 3.37Å
215V96.8Very high97.1Very high0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-128.1126.3-179.1-178.40000109.3S203 F204 L206 L213 V307 I316 A319 L321S203-V215 CarbonylContact C-O 3.57Å; S203-V215 WeakPolarHBondContact CA-O 3.45Å; S203-V215 VanDerWaalsContact CB-O 3.26Å; S203-V215 WeakPolarHBondContact CB-O 3.14Å; F204-V215 PolarHBondContact N-O 2.88Å; F204-V215 PolarHBondContact O-N 2.94Å; L206-V215 HydrophobicContact CD1-CG2 3.62Å; L206-V215 HydrophobicContact CG-CG2 3.82Å; L213-V215 HydrophobicContact CD2-CG2 4.34Å; L213-V215 HydrophobicContact CG-CG2 4.11Å; V215-V307 HydrophobicContact CG1-CG2 3.8Å; V215-V307 HydrophobicContact CG2-CG2 3.95Å; V215-I316 CarbonylContact C-O 3.53Å; V215-I316 WeakPolarHBondContact CA-O 3.02Å; V215-I316 HydrophobicContact CG2-CB 4.42Å; V215-A319 HydrophobicContact CG1-CB 3.19Å; V215-L321 HydrophobicContact CG1-CD2 4.22Å
216T97.4Very high97.1Very high24 Ų2433.1 Ų33.115%0.14719%0.192CC..EExtended strand (participates in β ladder)trans-122.9126.9-179.3-57.90000110E201 I316 V317 N318 A319E201-T216 HydrophobicContact CG-CG2 3.84Å; T216-I316 PolarHBondContact N-O 3.1Å; T216-V317 CarbonylContact O-C 3.58Å; T216-V317 WeakPolarHBondContact O-CA 3.23Å; T216-N318 PolarHBondContact O-N 2.94Å; T216-A319 PolarHBondContact O-N 3.16Å; T216-A319 VanDerWaalsContact O-N 3.13Å
217L97.4Very high97.2Very high8 Ų833.2 Ų33.24%0.04219%0.193CC..PPolyproline II helixtrans-78.7164.5177.2-52.8-170.7000111.1V202 F204 Q220 Y295 A319V202-L217 HydrophobicContact CB-CB 4.39Å; V202-L217 HydrophobicContact CB-CD1 3.95Å; V202-L217 HydrophobicContact CB-CG 4.22Å; V202-L217 HydrophobicContact CG1-CD1 3.79Å; V202-L217 HydrophobicContact CG1-CG 4.24Å; V202-L217 PolarHBondContact O-N 2.81Å; F204-L217 HydrophobicContact CE2-CD1 3.94Å; F204-L217 HydrophobicContact CE2-CD2 4.16Å; F204-L217 HydrophobicContact CE2-CG 4.03Å; L217-Q220 HydrophobicContact CD1-CG 4.17Å; L217-Y295 HydrophobicContact CD1-CD1 3.66Å; L217-Y295 HydrophobicContact CD1-CD2 3.44Å; L217-Y295 VanDerWaalsContact CD1-CD2 3.44Å; L217-Y295 HydrophobicContact CD1-CE1 3.75Å; L217-Y295 HydrophobicContact CD1-CE2 3.52Å; L217-Y295 HydrophobicContact CD1-CG 3.49Å; L217-Y295 VanDerWaalsContact CD1-CG 3.49Å; L217-Y295 HydrophobicContact CD2-CE1 4Å; L217-Y295 HydrophobicContact CD2-CE2 4.39Å; L217-A319 HydrophobicContact CD2-CB 4.13Å; L217-A319 WeakPolarHBondContact CD2-O 3.41Å
218A95.6Very high97.1Very high42 Ų4234.8 Ų34.835%0.34721%0.206SC..SBendtrans-6016015900000110.7Q220A218-Q220 PolarHBondContact O-N 3.24Å; A218-Q220 PolarHBondContact O-NE2 2.92Å
219P96.8Very high97.1Very high78 Ų7839.7 Ų39.751%0.50623%0.232SC..PPolyproline II helixtrans-53.2129.6178.8-27.335.1000112.7T200T200-P219 WeakPolarHBondContact O-CA 3.49Å
220Q97.9Very high97.3Very high54 Ų5436.5 Ų36.525%0.25221%0.213SC..BIsolated β-bridgetrans-100.6137.1-179.5-59.8-58.3-6200110.5T200 V202 L217 A218T200-Q220 VanDerWaalsContact CB-O 3.26Å; T200-Q220 WeakPolarHBondContact CB-O 3.36Å; T200-Q220 PolarHBondContact O-N 3.38Å; T200-Q220 PolarHBondContact OG1-O 3.27Å; V202-Q220 HydrophobicContact CB-CG 4.18Å; V202-Q220 HydrophobicContact CG2-CB 4.03Å; V202-Q220 HydrophobicContact CG2-CG 3.69Å; L217-Q220 HydrophobicContact CD1-CG 4.17Å; A218-Q220 PolarHBondContact O-N 3.24Å; A218-Q220 PolarHBondContact O-NE2 2.92Å
221E98Very high97.5Very high60 Ų6029.9 Ų29.928%0.2818%0.178SC..PPolyproline II helixtrans-82.3142.8167.3-65.9-172.212300109.9R245 C264 R265E221-R245 IonicContact OE1-CZ 4Å; E221-R245 IonicContact OE1-NH1 2.66Å; E221-R245 PolarHBondContact OE1-NH1 3.43Å; E221-R245 IonicContact OE2-CZ 3.4Å; E221-R245 VanDerWaalsContact OE2-CZ 3.22Å; E221-R245 IonicContact OE2-NH1 3.58Å; E221-R245 PolarHBondContact OE2-NH1 2.99Å; E221-R245 IonicContact OE2-NH2 3.43Å; E221-R245 PolarHBondContact OE2-NH2 2.7Å; E221-C264 WeakPolarHBondContact CA-O 3.21Å; E221-R265 IonicContact OE1-CZ 2.81Å; E221-R265 IonicContact OE1-NE 3.77Å; E221-R265 PolarHBondContact OE1-NE 2.86Å; E221-R265 IonicContact OE1-NH1 3.02Å; E221-R265 IonicContact OE1-NH2 3.38Å
222S98.4Very high97.7Very high7 Ų732.8 Ų32.85%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-90134.3171-690000109.6Y263 C264 H267S222-Y263 CarbonylContact O-C 3.52Å; S222-Y263 WeakPolarHBondContact O-CA 3.31Å; S222-C264 PolarHBondContact N-O 3.29Å; S222-C264 PolarHBondContact O-N 2.95Å; S222-H267 WeakPolarHBondContact OG-CA 3.24Å; S222-H267 WeakPolarHBondContact OG-CB 3.5Å; S222-H267 PolarHBondContact OG-ND1 3.18Å
223V98.6Very high97.8Very high25 Ų2537.4 Ų37.415%0.15220%0.204CC..EExtended strand (participates in β ladder)trans-125.1139.8-176.965.50000112F225 L262 Y263V223-F225 HydrophobicContact CG2-CE1 4.19Å; V223-F225 HydrophobicContact CG2-CZ 4.38Å; V223-L262 VanDerWaalsContact CA-O 3.28Å; V223-L262 WeakPolarHBondContact CA-O 3.49Å; V223-Y263 HydrophobicContact CB-CD1 3.86Å; V223-Y263 HydrophobicContact CB-CE1 3.91Å; V223-Y263 HydrophobicContact CG2-CD1 3.77Å; V223-Y263 HydrophobicContact CG2-CD2 4.41Å; V223-Y263 HydrophobicContact CG2-CE1 3.55Å; V223-Y263 HydrophobicContact CG2-CE2 4.22Å; V223-Y263 HydrophobicContact CG2-CG 4.19Å
224A98.6Very high97.8Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-131.7172.4165.400000109.8G261 L262 L270 V284 Y285 A287A224-G261 CarbonylContact O-C 2.84Å; A224-G261 WeakPolarHBondContact O-CA 3.33Å; A224-L262 PolarHBondContact N-O 3.16Å; A224-L262 PolarHBondContact O-N 3.29Å; A224-L270 HydrophobicContact CB-CD1 3.74Å; A224-L270 HydrophobicContact CB-CD2 4.28Å; A224-V284 HydrophobicContact CB-CG1 3.7Å; A224-Y285 WeakPolarHBondContact CA-O 3.48Å; A224-Y285 VanDerWaalsContact CB-O 3.3Å; A224-Y285 WeakPolarHBondContact CB-O 3.36Å; A224-A287 HydrophobicContact CB-CB 3.97Å
225F98.7Very high97.8Very high11 Ų1140.1 Ų40.15%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-123.7142.4-177.4-48.6-82000112.5V223 L249 L251 V259 Y260 V284 Y285 E286 V568V223-F225 HydrophobicContact CG2-CE1 4.19Å; V223-F225 HydrophobicContact CG2-CZ 4.38Å; F225-L249 HydrophobicContact CD1-CD1 3.9Å; F225-L249 HydrophobicContact CE1-CD1 3.65Å; F225-L251 HydrophobicContact CE1-CD1 4.02Å; F225-L251 HydrophobicContact CZ-CD1 4.47Å; F225-V259 HydrophobicContact CB-CB 4.24Å; F225-V259 HydrophobicContact CB-CG2 4.21Å; F225-V259 HydrophobicContact CD1-CG2 4.31Å; F225-Y260 CarbonylContact C-O 3.57Å; F225-Y260 VanDerWaalsContact CA-O 3.3Å; F225-Y260 WeakPolarHBondContact CA-O 3.44Å; F225-V284 WeakPolarHBondContact O-CA 3.04Å; F225-Y285 HydrophobicContact CB-CD2 4.29Å; F225-Y285 PolarHBondContact N-O 2.81Å; F225-Y285 PolarHBondContact O-N 3.19Å; F225-E286 HydrophobicContact CD2-CB 4.12Å; F225-E286 HydrophobicContact CD2-CG 4.17Å; F225-E286 HydrophobicContact CE2-CB 4.14Å; F225-E286 HydrophobicContact CE2-CG 4.22Å; F225-V568 HydrophobicContact CB-CB 4.42Å; F225-V568 HydrophobicContact CB-CG1 4.24Å; F225-V568 HydrophobicContact CB-CG2 4.12Å; F225-V568 HydrophobicContact CD1-CG1 3.83Å; F225-V568 HydrophobicContact CD2-CB 3.8Å; F225-V568 HydrophobicContact CD2-CG1 3.55Å; F225-V568 HydrophobicContact CD2-CG2 4.39Å; F225-V568 HydrophobicContact CE1-CG1 3.99Å; F225-V568 HydrophobicContact CE2-CB 4.24Å; F225-V568 HydrophobicContact CE2-CG1 3.73Å; F225-V568 HydrophobicContact CG-CB 4.1Å; F225-V568 HydrophobicContact CG-CG1 3.59Å; F225-V568 HydrophobicContact CG-CG2 4.33Å; F225-V568 HydrophobicContact CZ-CG1 3.95Å
226I98.7Very high97.8Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-129.9132.5-179.3-57.3-178.9000108.9A228 Q230 V231 A234 L246 V259 Y260 L262 L277 V282 V284I226-A228 PolarHBondContact O-N 3.07Å; I226-Q230 HydrophobicContact CG2-CB 4.14Å; I226-V231 HydrophobicContact CG2-CG2 4.44Å; I226-A234 HydrophobicContact CD1-CB 3.83Å; I226-A234 HydrophobicContact CG2-CB 4.43Å; I226-L246 HydrophobicContact CD1-CD2 4.03Å; I226-V259 CarbonylContact O-C 3.55Å; I226-V259 WeakPolarHBondContact O-CA 3.38Å; I226-Y260 PolarHBondContact N-O 2.89Å; I226-Y260 PolarHBondContact O-N 3.19Å; I226-L262 HydrophobicContact CD1-CB 4.32Å; I226-L262 HydrophobicContact CD1-CD2 4.25Å; I226-L277 HydrophobicContact CD1-CD1 3.86Å; I226-V282 HydrophobicContact CD1-CG1 4.37Å; I226-V282 HydrophobicContact CG2-CG1 3.69Å; I226-V284 HydrophobicContact CG1-CG2 4.44Å
227P98.5Very high97.8Very high2 Ų246.1 Ų46.11%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-52.3136.6171.1-28.436.9000112.8D229 Q230 V231 T283 Y285P227-D229 WeakPolarHBondContact CB-OD1 3.49Å; P227-D229 PolarHBondContact O-N 2.83Å; P227-Q230 HydrophobicContact CB-CB 4.41Å; P227-Q230 HydrophobicContact CB-CG 4.23Å; P227-Q230 PolarHBondContact O-N 2.94Å; P227-V231 PolarHBondContact O-N 3.43Å; P227-T283 WeakPolarHBondContact CD-O 3.39Å; P227-Y285 HydrophobicContact CG-CE2 3.75Å
228A98.1Very high97.8Very high33 Ų3345.9 Ų45.927%0.27324%0.242SC..G310 helixtrans-58.2-34.9-174.200000113.4I226 Q230 V231 P258 Y260I226-A228 PolarHBondContact O-N 3.07Å; A228-Q230 VanDerWaalsContact C-N 3.27Å; A228-Q230 PolarHBondContact O-N 3.25Å; A228-V231 WeakPolarHBondContact O-CB 3.5Å; A228-V231 PolarHBondContact O-N 3.36Å; A228-P258 HydrophobicContact CB-CB 4.26Å; A228-P258 VanDerWaalsContact CB-O 3.26Å; A228-P258 WeakPolarHBondContact CB-O 3.44Å; A228-P258 PolarHBondContact N-O 3.5Å; A228-Y260 HydrophobicContact CB-CD2 3.98Å; A228-Y260 HydrophobicContact CB-CE2 3.85Å
229D97.6Very high97.7Very high107 Ų10752.7 Ų52.757%0.57226%0.259SS*.G310 helixtrans-69.3-21.7176.766-34.8000113.3P227P227-D229 WeakPolarHBondContact CB-OD1 3.49Å; P227-D229 PolarHBondContact O-N 2.83Å
230Q98.1Very high97.6Very high42 Ų4252.6 Ų52.620%0.19627%0.272CS..G310 helixtrans-96.4-8179.4-61.5-179.837.200113.4I226 P227 A228 R233 A234 V282 T283I226-Q230 HydrophobicContact CG2-CB 4.14Å; P227-Q230 HydrophobicContact CB-CB 4.41Å; P227-Q230 HydrophobicContact CB-CG 4.23Å; P227-Q230 PolarHBondContact O-N 2.94Å; A228-Q230 VanDerWaalsContact C-N 3.27Å; A228-Q230 PolarHBondContact O-N 3.25Å; Q230-R233 PolarHBondContact O-N 2.99Å; Q230-R233 VanDerWaalsContact O-N 3.12Å; Q230-A234 PolarHBondContact O-N 2.92Å; Q230-V282 HydrophobicContact CB-CG1 4.27Å; Q230-T283 PolarHBondContact NE2-OG1 2.89Å; Q230-T283 PolarHBondContact OE1-OG1 2.89Å; Q230-T283 VanDerWaalsContact OE1-OG1 3.11Å
231V97.9Very high97.6Very high10 Ų1053.2 Ų53.26%0.06128%0.275CS..Hα-helixtrans-54.9-43.2178.4171.30000113.5I226 P227 A228 R233 A234 Q235 L246 Y260I226-V231 HydrophobicContact CG2-CG2 4.44Å; P227-V231 PolarHBondContact O-N 3.43Å; A228-V231 WeakPolarHBondContact O-CB 3.5Å; A228-V231 PolarHBondContact O-N 3.36Å; V231-R233 VanDerWaalsContact C-N 3.28Å; V231-R233 PolarHBondContact O-N 2.98Å; V231-A234 WeakPolarHBondContact O-CB 3.45Å; V231-A234 PolarHBondContact O-N 3.17Å; V231-A234 VanDerWaalsContact O-N 3.11Å; V231-Q235 HydrophobicContact CG1-CG 4.29Å; V231-Q235 WeakPolarHBondContact O-CG 3.4Å; V231-Q235 PolarHBondContact O-N 3.08Å; V231-L246 HydrophobicContact CG1-CD1 4.31Å; V231-Y260 HydrophobicContact CG1-CD1 4.47Å; V231-Y260 HydrophobicContact CG2-CD1 4.11Å; V231-Y260 HydrophobicContact CG2-CD2 3.64Å; V231-Y260 HydrophobicContact CG2-CE2 4.18Å; V231-Y260 HydrophobicContact CG2-CG 3.6Å
232P97.7Very high97.4Very high84 Ų8458.1 Ų58.155%0.54530%0.298SS..Hα-helixtrans-59.5-38.1177.6-25.936000113.1H236P232-H236 PolarHBondContact O-N 3.49Å; P232-H236 VanDerWaalsContact O-N 3.13Å
233R97.6Very high97.2Very high145 Ų14559.9 Ų59.955%0.54732%0.317SS..Hα-helixtrans-69.8-40.3175.2-175178.6-72.1171.7-2.7111.1Q230 V231 Q235 H236 I237 G281 V282Q230-R233 PolarHBondContact O-N 2.99Å; Q230-R233 VanDerWaalsContact O-N 3.12Å; V231-R233 VanDerWaalsContact C-N 3.28Å; V231-R233 PolarHBondContact O-N 2.98Å; R233-Q235 VanDerWaalsContact C-N 3.34Å; R233-Q235 PolarHBondContact O-N 3.07Å; R233-H236 WeakPolarHBondContact O-CB 3.35Å; R233-H236 PolarHBondContact O-N 3.39Å; R233-H236 VanDerWaalsContact O-N 3.14Å; R233-I237 HydrophobicContact CG-CD1 4.05Å; R233-I237 WeakPolarHBondContact O-CG1 3.47Å; R233-I237 PolarHBondContact O-N 3.05Å; R233-G281 PolarHBondContact NH1-O 2.91Å; R233-G281 VanDerWaalsContact NH1-O 3.16Å; R233-V282 HydrophobicContact CB-CG2 3.88Å; R233-V282 HydrophobicContact CG-CG2 3.56Å
234A97.7Very high97.1Very high0 Ų061.4 Ų61.40%032%0.322CS..Hα-helixtrans-59.3-44.8175.100000112I226 Q230 V231 H236 I237 L238 L277 V282I226-A234 HydrophobicContact CD1-CB 3.83Å; I226-A234 HydrophobicContact CG2-CB 4.43Å; Q230-A234 PolarHBondContact O-N 2.92Å; V231-A234 WeakPolarHBondContact O-CB 3.45Å; V231-A234 PolarHBondContact O-N 3.17Å; V231-A234 VanDerWaalsContact O-N 3.11Å; A234-H236 VanDerWaalsContact C-N 3.28Å; A234-H236 PolarHBondContact O-N 2.94Å; A234-I237 PolarHBondContact O-N 3.49Å; A234-L238 WeakPolarHBondContact O-CB 3.47Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.08Å; A234-L277 HydrophobicContact CB-CD2 3.71Å; A234-V282 HydrophobicContact CB-CG1 4.18Å
235Q97.5Very high97.1Very high110 Ų11065.9 Ų65.951%0.51434%0.339SS..Hα-helixtrans-62.6-33.6175.3-71.9175.2-23.700112.6V231 R233 R239 L246V231-Q235 HydrophobicContact CG1-CG 4.29Å; V231-Q235 WeakPolarHBondContact O-CG 3.4Å; V231-Q235 PolarHBondContact O-N 3.08Å; R233-Q235 VanDerWaalsContact C-N 3.34Å; R233-Q235 PolarHBondContact O-N 3.07Å; Q235-R239 PolarHBondContact O-N 2.62Å; Q235-L246 HydrophobicContact CG-CD1 3.94Å
236H96.9Very high97.1Very high116 Ų11667 Ų6754%0.53735%0.345SS..Hα-helixtrans-66.5-46.7174-177.976.7000112P232 R233 A234 L238 R239P232-H236 PolarHBondContact O-N 3.49Å; P232-H236 VanDerWaalsContact O-N 3.13Å; R233-H236 WeakPolarHBondContact O-CB 3.35Å; R233-H236 PolarHBondContact O-N 3.39Å; R233-H236 VanDerWaalsContact O-N 3.14Å; A234-H236 VanDerWaalsContact C-N 3.28Å; A234-H236 PolarHBondContact O-N 2.94Å; H236-L238 VanDerWaalsContact C-N 3.33Å; H236-L238 PolarHBondContact O-N 2.9Å; H236-R239 PolarHBondContact ND1-NH2 2.91Å; H236-R239 VanDerWaalsContact O-CB 3.31Å; H236-R239 WeakPolarHBondContact O-CB 3.34Å; H236-R239 PolarHBondContact O-N 3.17Å
237I97.3Very high97.1Very high35 Ų3569.2 Ų69.218%0.17936%0.359CS..Hα-helixtrans-66.1-35.1-179.8-66.8164.8000112R233 A234 R276 L277 V282R233-I237 HydrophobicContact CG-CD1 4.05Å; R233-I237 WeakPolarHBondContact O-CG1 3.47Å; R233-I237 PolarHBondContact O-N 3.05Å; A234-I237 PolarHBondContact O-N 3.49Å; I237-R276 HydrophobicContact CG2-CB 4.16Å; I237-R276 PolarHBondContact O-NH2 2.96Å; I237-L277 HydrophobicContact CB-CD2 4.05Å; I237-L277 HydrophobicContact CD1-CD2 4.1Å; I237-L277 HydrophobicContact CG2-CD2 4.05Å; I237-V282 HydrophobicContact CD1-CG2 3.66Å
238L97Very high97Very high3 Ų373 Ų732%0.01638%0.383CS..THydrogen-bonded Turntrans-95.216180-58.5-178.9000113.1A234 H236 G240 E241 F244 L262 Y273 L277A234-L238 WeakPolarHBondContact O-CB 3.47Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.08Å; H236-L238 VanDerWaalsContact C-N 3.33Å; H236-L238 PolarHBondContact O-N 2.9Å; L238-G240 PolarHBondContact O-N 3.15Å; L238-E241 HydrophobicContact CB-CB 4.42Å; L238-E241 HydrophobicContact CB-CG 4.24Å; L238-E241 HydrophobicContact CD2-CG 4.31Å; L238-E241 VanDerWaalsContact O-CB 3.27Å; L238-E241 WeakPolarHBondContact O-CB 3.36Å; L238-E241 WeakPolarHBondContact O-CG 3.36Å; L238-E241 PolarHBondContact O-N 3.46Å; L238-E241 VanDerWaalsContact O-N 3.14Å; L238-F244 HydrophobicContact CB-CE1 4.29Å; L238-F244 HydrophobicContact CB-CE2 4.37Å; L238-F244 HydrophobicContact CB-CZ 3.79Å; L238-F244 HydrophobicContact CD1-CD2 4.29Å; L238-F244 HydrophobicContact CD1-CE2 3.82Å; L238-F244 HydrophobicContact CD1-CZ 4.06Å; L238-L262 HydrophobicContact CD1-CD1 4.21Å; L238-Y273 HydrophobicContact CD1-CD2 4.09Å; L238-Y273 HydrophobicContact CD1-CG 4.39Å; L238-Y273 HydrophobicContact CD2-CD1 3.61Å; L238-Y273 HydrophobicContact CD2-CD2 4.03Å; L238-Y273 HydrophobicContact CD2-CE1 4.03Å; L238-Y273 HydrophobicContact CD2-CE2 4.41Å; L238-Y273 HydrophobicContact CD2-CG 3.62Å; L238-L277 HydrophobicContact CD1-CD1 4.23Å; L238-L277 HydrophobicContact CD1-CD2 4.35Å; L238-L277 HydrophobicContact CD2-CG 4.47Å; L238-L277 HydrophobicContact CG-CD2 4.14Å
239R95.1Very high97Very high185 Ų18573.8 Ų73.870%0.69838%0.383SS*.THydrogen-bonded Turntrans-61.7126.8177.7-174-179-65.9-179.3-2.6110.3Q235 H236 E241Q235-R239 PolarHBondContact O-N 2.62Å; H236-R239 PolarHBondContact ND1-NH2 2.91Å; H236-R239 VanDerWaalsContact O-CB 3.31Å; H236-R239 WeakPolarHBondContact O-CB 3.34Å; H236-R239 PolarHBondContact O-N 3.17Å; R239-E241 VanDerWaalsContact C-N 3.34Å
240G94.9Very high97Very high75 Ų7573.8 Ų73.877%0.77340%0.397SS*.THydrogen-bonded Turntrans90.7-9.4-179.300000114.6L238L238-G240 PolarHBondContact O-N 3.15Å
241E96.1Very high97Very high67 Ų6773.2 Ų73.231%0.31340%0.395SS..  trans-73.4151.1172.1-64.4-61.7151.700111.6L238 R239 F244 Y273 R276L238-E241 HydrophobicContact CB-CB 4.42Å; L238-E241 HydrophobicContact CB-CG 4.24Å; L238-E241 HydrophobicContact CD2-CG 4.31Å; L238-E241 VanDerWaalsContact O-CB 3.27Å; L238-E241 WeakPolarHBondContact O-CB 3.36Å; L238-E241 WeakPolarHBondContact O-CG 3.36Å; L238-E241 PolarHBondContact O-N 3.46Å; L238-E241 VanDerWaalsContact O-N 3.14Å; R239-E241 VanDerWaalsContact C-N 3.34Å; E241-F244 HydrophobicContact CB-CD1 4.03Å; E241-F244 HydrophobicContact CB-CE1 3.61Å; E241-F244 WeakPolarHBondContact O-CE1 3.48Å; E241-Y273 HydrophobicContact CB-CE1 4.39Å; E241-Y273 VanDerWaalsContact CB-OH 3.3Å; E241-Y273 WeakPolarHBondContact CB-OH 3.36Å; E241-Y273 HydrophobicContact CG-CE1 3.82Å; E241-Y273 VanDerWaalsContact OE2-CE1 3.3Å; E241-Y273 WeakPolarHBondContact OE2-CE1 3.42Å; E241-Y273 PolarHBondContact OE2-OH 2.97Å; E241-R276 IonicContact OE1-CZ 3.51Å; E241-R276 IonicContact OE1-NH1 3.32Å; E241-R276 PolarHBondContact OE1-NH1 2.89Å; E241-R276 IonicContact OE1-NH2 3.18Å; E241-R276 PolarHBondContact OE1-NH2 2.91Å; E241-R276 IonicContact OE2-NH1 3.72Å
242Q94.3Very high97.1Very high164 Ų16476.6 Ų76.677%0.76641%0.409SS*.  trans-130.4171.5177.2-65.9-171.5-5.700111F244 Q269Q242-F244 VanDerWaalsContact C-N 3.31Å; Q242-F244 PolarHBondContact O-N 2.82Å; Q242-Q269 PolarHBondContact O-NE2 2.91Å
243G94Very high97.1Very high44 Ų4472.8 Ų72.845%0.45438%0.384SS..SBendtrans73.322.2177.200000114.3R265 Q269G243-R265 PolarHBondContact O-N 3.38Å; G243-Q269 PolarHBondContact O-OE1 3.29Å
244F97.9Very high97.1Very high56 Ų5667.5 Ų67.525%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-136.6162.4173.382.2-80.9000111.7L238 E241 Q242 L246 L262 Y263 Y273L238-F244 HydrophobicContact CB-CE1 4.29Å; L238-F244 HydrophobicContact CB-CE2 4.37Å; L238-F244 HydrophobicContact CB-CZ 3.79Å; L238-F244 HydrophobicContact CD1-CD2 4.29Å; L238-F244 HydrophobicContact CD1-CE2 3.82Å; L238-F244 HydrophobicContact CD1-CZ 4.06Å; E241-F244 HydrophobicContact CB-CD1 4.03Å; E241-F244 HydrophobicContact CB-CE1 3.61Å; E241-F244 WeakPolarHBondContact O-CE1 3.48Å; Q242-F244 VanDerWaalsContact C-N 3.31Å; Q242-F244 PolarHBondContact O-N 2.82Å; F244-L246 HydrophobicContact CE2-CD1 4.31Å; F244-L246 HydrophobicContact CE2-CG 4.35Å; F244-L262 HydrophobicContact CB-CD1 4.43Å; F244-L262 HydrophobicContact CD2-CD1 3.51Å; F244-L262 HydrophobicContact CE2-CD1 4.19Å; F244-L262 HydrophobicContact CG-CD1 4.33Å; F244-Y263 CarbonylContact C-O 3.57Å; F244-Y263 WeakPolarHBondContact CA-O 3.33Å; F244-Y263 VanDerWaalsContact CB-O 3.31Å; F244-Y263 WeakPolarHBondContact CB-O 3.46Å; F244-Y273 HydrophobicContact CB-CE2 4.03Å; F244-Y273 HydrophobicContact CD1-CE2 4.03Å; F244-Y273 HydrophobicContact CG-CE2 4.03Å
245R98Very high97.1Very high95 Ų9573.1 Ų73.136%0.35839%0.391SS..EExtended strand (participates in β ladder)trans-138.3153.216864.4174.1-176.3-75.7-0.5111.3E221 L262 Y263E221-R245 IonicContact OE1-CZ 4Å; E221-R245 IonicContact OE1-NH1 2.66Å; E221-R245 PolarHBondContact OE1-NH1 3.43Å; E221-R245 IonicContact OE2-CZ 3.4Å; E221-R245 VanDerWaalsContact OE2-CZ 3.22Å; E221-R245 IonicContact OE2-NH1 3.58Å; E221-R245 PolarHBondContact OE2-NH1 2.99Å; E221-R245 IonicContact OE2-NH2 3.43Å; E221-R245 PolarHBondContact OE2-NH2 2.7Å; R245-L262 WeakPolarHBondContact O-CA 3.39Å; R245-Y263 HydrophobicContact CG-CD2 4Å; R245-Y263 HydrophobicContact CG-CG 4.27Å; R245-Y263 PolarHBondContact N-O 3.33Å; R245-Y263 VanDerWaalsContact NH2-CD1 3.29Å; R245-Y263 VanDerWaalsContact NH2-CG 3.33Å; R245-Y263 PolarHBondContact O-N 3.37Å
246L98.2Very high97.1Very high33 Ų3373.2 Ų73.217%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-111.4124.5166.8-77.3163.8000108.2I226 V231 Q235 F244 Y260 G261 L262I226-L246 HydrophobicContact CD1-CD2 4.03Å; V231-L246 HydrophobicContact CG1-CD1 4.31Å; Q235-L246 HydrophobicContact CG-CD1 3.94Å; F244-L246 HydrophobicContact CE2-CD1 4.31Å; F244-L246 HydrophobicContact CE2-CG 4.35Å; L246-Y260 HydrophobicContact CB-CD1 4.26Å; L246-G261 WeakPolarHBondContact CA-O 3.26Å; L246-L262 HydrophobicContact CD2-CB 3.84Å; L246-L262 HydrophobicContact CD2-CD1 3.97Å; L246-L262 HydrophobicContact CG-CD1 4.2Å
247T98.2Very high97.1Very high48 Ų4872 Ų7229%0.29438%0.381SS..EExtended strand (participates in β ladder)trans-132.6130.2-175.4-54.50000110.1Y260 G261T247-Y260 VanDerWaalsContact C-CD1 3.46Å; T247-Y260 CarbonylContact O-C 3.47Å; T247-Y260 VanDerWaalsContact O-CA 3.27Å; T247-Y260 WeakPolarHBondContact O-CA 3.49Å; T247-G261 PolarHBondContact N-O 2.95Å; T247-G261 PolarHBondContact O-N 3.1Å
248P98Very high97.2Very high82 Ų8273.4 Ų73.453%0.53239%0.393SS..EExtended strand (participates in β ladder)trans-64.7139175.727.5-33.3000110.1Y260P248-Y260 HydrophobicContact CB-CD1 4.35Å; P248-Y260 HydrophobicContact CB-CD2 4.38Å; P248-Y260 HydrophobicContact CB-CE1 3.94Å; P248-Y260 HydrophobicContact CB-CE2 3.97Å; P248-Y260 HydrophobicContact CG-CE1 4.2Å
249L98Very high97.3Very high49 Ų4973.3 Ų73.326%0.25739%0.392SS..EExtended strand (participates in β ladder)trans-123.2156.2-179.8-59.9177.7000110.9F225 L251 V259F225-L249 HydrophobicContact CD1-CD1 3.9Å; F225-L249 HydrophobicContact CE1-CD1 3.65Å; L249-L251 HydrophobicContact CB-CB 4.32Å; L249-L251 HydrophobicContact CB-CD1 4.43Å; L249-L251 HydrophobicContact CB-CG 4.33Å; L249-L251 HydrophobicContact CD1-CD1 4.16Å; L249-L251 PolarHBondContact O-N 2.85Å; L249-V259 PolarHBondContact N-O 2.81Å
250A97.5Very high97.4Very high106 Ų10667.9 Ų67.988%0.87637%0.372SS*.EExtended strand (participates in β ladder)trans-78.748.5170.300000111.3
251L98.4Very high97.6Very high30 Ų3064.3 Ų64.316%0.15734%0.336CS..EExtended strand (participates in β ladder)trans-132.1156.8-179.1-65.4176000109.9F225 L249 V259 H563 G566 V568F225-L251 HydrophobicContact CE1-CD1 4.02Å; F225-L251 HydrophobicContact CZ-CD1 4.47Å; L249-L251 HydrophobicContact CB-CB 4.32Å; L249-L251 HydrophobicContact CB-CD1 4.43Å; L249-L251 HydrophobicContact CB-CG 4.33Å; L249-L251 HydrophobicContact CD1-CD1 4.16Å; L249-L251 PolarHBondContact O-N 2.85Å; L251-V259 HydrophobicContact CB-CG2 3.74Å; L251-V259 PolarHBondContact O-N 3.29Å; L251-V259 VanDerWaalsContact O-N 3.13Å; L251-H563 WeakPolarHBondContact CD2-O 3.49Å; L251-G566 CarbonylContact C-O 3.47Å; L251-G566 WeakPolarHBondContact CA-O 3.41Å; L251-V568 HydrophobicContact CB-CG1 4.14Å; L251-V568 HydrophobicContact CD1-CG1 3.83Å
252K98.6Very high97.7Very high82 Ų8261.1 Ų61.136%0.35732%0.321SS..EExtended strand (participates in β ladder)trans-128.7157.1176.5-60.2178.5-176.9-178.70111.2Q257 G566 Y567 V568K252-Q257 CarbonylContact C-O 3.59Å; K252-Q257 WeakPolarHBondContact CA-O 3.42Å; K252-G566 PolarHBondContact N-O 2.87Å; K252-Y567 HydrophobicContact CB-CD1 4.06Å; K252-Y567 HydrophobicContact CB-CE1 4Å; K252-Y567 CarbonylContact O-C 3.52Å; K252-Y567 WeakPolarHBondContact O-CA 3.5Å; K252-V568 PolarHBondContact O-N 3.13Å
253D98.2Very high97.9Very high4 Ų455.7 Ų55.72%0.02129%0.293CS..  trans-83.4179.2164.569.411.7000111.7H255 R256 Q257 V259 Y285 Y567 V568D253-H255 PolarHBondContact O-N 3.03Å; D253-H255 WeakPolarHBondContact OD1-CA 3.49Å; D253-H255 WeakPolarHBondContact OD1-CB 3.31Å; D253-H255 PolarHBondContact OD1-N 2.8Å; D253-R256 WeakPolarHBondContact O-CA 3.19Å; D253-R256 PolarHBondContact O-N 3.47Å; D253-R256 PolarHBondContact OD1-N 2.78Å; D253-R256 VanDerWaalsContact OD1-N 3.16Å; D253-Q257 PolarHBondContact N-O 2.87Å; D253-Q257 WeakPolarHBondContact OD1-CB 3.2Å; D253-Q257 PolarHBondContact OD1-N 3.03Å; D253-V259 HydrophobicContact CB-CG1 4.01Å; D253-Y285 HydrophobicContact CB-CD2 4.38Å; D253-Y285 HydrophobicContact CB-CE2 3.57Å; D253-Y285 PolarHBondContact OD2-OH 3.47Å; D253-Y567 VanDerWaalsContact O-CD1 3.29Å; D253-Y567 WeakPolarHBondContact O-CD1 3.45Å; D253-Y567 WeakPolarHBondContact O-CE1 3.35Å; D253-V568 HydrophobicContact CB-CG2 4.17Å
254F97.9Very high98.1Very high34 Ų3453.6 Ų53.615%0.14927%0.272CS..THydrogen-bonded Turntrans-71.5-7.7-179.6-83.436.5000113.4R256 M562 Y567 V568 P570 P616 V617 V620 F691F254-R256 VanDerWaalsContact C-N 3.28Å; F254-M562 HydrophobicContact CE1-CG 4.22Å; F254-M562 HydrophobicContact CE1-SD 3.77Å; F254-M562 HydrophobicContact CZ-SD 4Å; F254-Y567 HydrophobicContact CD1-CD1 4.33Å; F254-V568 WeakPolarHBondContact CD1-O 3.49Å; F254-V568 WeakPolarHBondContact CE1-O 3.27Å; F254-P570 HydrophobicContact CB-CB 4.49Å; F254-P570 HydrophobicContact CD2-CB 4.37Å; F254-P570 HydrophobicContact CD2-CG 3.84Å; F254-P570 HydrophobicContact CE2-CG 4Å; F254-P570 HydrophobicContact CG-CB 4.37Å; F254-P570 HydrophobicContact CG-CG 4.2Å; F254-P570 HydrophobicContact CZ-CG 4.48Å; F254-P616 HydrophobicContact CE2-CB 3.76Å; F254-P616 HydrophobicContact CZ-CB 4.12Å; F254-V617 HydrophobicContact CE1-CG2 4.35Å; F254-V617 HydrophobicContact CZ-CG2 4.15Å; F254-V620 HydrophobicContact CB-CG2 4.02Å; F254-V620 HydrophobicContact CD2-CG2 3.79Å; F254-V620 HydrophobicContact CE2-CG2 4.38Å; F254-V620 HydrophobicContact CG-CG2 3.9Å; F254-F691 AromaticContact CE2-CD1 3.9Å; F254-F691 HydrophobicContact CE2-CD1 3.9Å; F254-F691 HydrophobicContact CE2-CE1 4.24Å; F254-F691 AromaticContact CZ-CD1 3.88Å; F254-F691 HydrophobicContact CZ-CD1 3.88Å; F254-F691 AromaticContact CZ-CE1 3.75Å; F254-F691 HydrophobicContact CZ-CE1 3.75Å
255H97Very high98.1Very high117 Ų11758 Ų5854%0.54229%0.287SS..THydrogen-bonded Turntrans-91.18167.9-62.388.5000112.1D253 Q257 E574D253-H255 PolarHBondContact O-N 3.03Å; D253-H255 WeakPolarHBondContact OD1-CA 3.49Å; D253-H255 WeakPolarHBondContact OD1-CB 3.31Å; D253-H255 PolarHBondContact OD1-N 2.8Å; H255-Q257 HydrophobicContact CB-CG 4.36Å; H255-Q257 PolarHBondContact O-N 3.44Å; H255-E574 IonicContact CE1-OE2 3.99Å; H255-E574 PolarHBondContact CE1-OE2 2.71Å; H255-E574 VanDerWaalsContact CE1-OE2 3.27Å; H255-E574 IonicContact ND1-OE2 2.99Å
256R97.4Very high98.1Very high113 Ų11354.6 Ų54.643%0.42628%0.279SS..  trans63.318.5-178.6-52.6174.170.6-144.86113.4D253 F254 Y567 V620D253-R256 WeakPolarHBondContact O-CA 3.19Å; D253-R256 PolarHBondContact O-N 3.47Å; D253-R256 PolarHBondContact OD1-N 2.78Å; D253-R256 VanDerWaalsContact OD1-N 3.16Å; F254-R256 VanDerWaalsContact C-N 3.28Å; R256-Y567 HydrophobicContact CG-CE1 4.46Å; R256-V620 HydrophobicContact CG-CG1 3.62Å
257Q97.8Very high98Very high90 Ų9053 Ų5342%0.42127%0.271SS..  trans-81.7133.8175-64.7-62.9-18.700110.1K252 D253 H255K252-Q257 CarbonylContact C-O 3.59Å; K252-Q257 WeakPolarHBondContact CA-O 3.42Å; D253-Q257 PolarHBondContact N-O 2.87Å; D253-Q257 WeakPolarHBondContact OD1-CB 3.2Å; D253-Q257 PolarHBondContact OD1-N 3.03Å; H255-Q257 HydrophobicContact CB-CG 4.36Å; H255-Q257 PolarHBondContact O-N 3.44Å
258P98.4Very high97.9Very high65 Ų6559 Ų5942%0.42229%0.288SS..EExtended strand (participates in β ladder)trans-56.2144170.8-23.533.8000111.4A228A228-P258 HydrophobicContact CB-CB 4.26Å; A228-P258 VanDerWaalsContact CB-O 3.26Å; A228-P258 WeakPolarHBondContact CB-O 3.44Å; A228-P258 PolarHBondContact N-O 3.5Å
259V98.7Very high97.9Very high1 Ų156.7 Ų56.71%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-119.3153.4-179.8-60.80000113.1F225 I226 L249 L251 D253 V568F225-V259 HydrophobicContact CB-CB 4.24Å; F225-V259 HydrophobicContact CB-CG2 4.21Å; F225-V259 HydrophobicContact CD1-CG2 4.31Å; I226-V259 CarbonylContact O-C 3.55Å; I226-V259 WeakPolarHBondContact O-CA 3.38Å; L249-V259 PolarHBondContact N-O 2.81Å; L251-V259 HydrophobicContact CB-CG2 3.74Å; L251-V259 PolarHBondContact O-N 3.29Å; L251-V259 VanDerWaalsContact O-N 3.13Å; D253-V259 HydrophobicContact CB-CG1 4.01Å; V259-V568 HydrophobicContact CG1-CG2 4.09Å; V259-V568 HydrophobicContact CG2-CG1 4.12Å; V259-V568 HydrophobicContact CG2-CG2 4.16Å
260Y98.7Very high97.9Very high71 Ų7154.4 Ų54.428%0.27826%0.258SS..EExtended strand (participates in β ladder)trans-101.4140.9167.8-82.2-121.6000109.6F225 I226 A228 V231 L246 T247 P248F225-Y260 CarbonylContact C-O 3.57Å; F225-Y260 VanDerWaalsContact CA-O 3.3Å; F225-Y260 WeakPolarHBondContact CA-O 3.44Å; I226-Y260 PolarHBondContact N-O 2.89Å; I226-Y260 PolarHBondContact O-N 3.19Å; A228-Y260 HydrophobicContact CB-CD2 3.98Å; A228-Y260 HydrophobicContact CB-CE2 3.85Å; V231-Y260 HydrophobicContact CG1-CD1 4.47Å; V231-Y260 HydrophobicContact CG2-CD1 4.11Å; V231-Y260 HydrophobicContact CG2-CD2 3.64Å; V231-Y260 HydrophobicContact CG2-CE2 4.18Å; V231-Y260 HydrophobicContact CG2-CG 3.6Å; L246-Y260 HydrophobicContact CB-CD1 4.26Å; T247-Y260 VanDerWaalsContact C-CD1 3.46Å; T247-Y260 CarbonylContact O-C 3.47Å; T247-Y260 VanDerWaalsContact O-CA 3.27Å; T247-Y260 WeakPolarHBondContact O-CA 3.49Å; P248-Y260 HydrophobicContact CB-CD1 4.35Å; P248-Y260 HydrophobicContact CB-CD2 4.38Å; P248-Y260 HydrophobicContact CB-CE1 3.94Å; P248-Y260 HydrophobicContact CB-CE2 3.97Å; P248-Y260 HydrophobicContact CG-CE1 4.2Å
261G98.6Very high97.8Very high0 Ų052.9 Ų52.90%023%0.234CC..EExtended strand (participates in β ladder)trans-80.9122.9166.700000110.8A224 L246 T247 Y263A224-G261 CarbonylContact O-C 2.84Å; A224-G261 WeakPolarHBondContact O-CA 3.33Å; L246-G261 WeakPolarHBondContact CA-O 3.26Å; T247-G261 PolarHBondContact N-O 2.95Å; T247-G261 PolarHBondContact O-N 3.1Å; G261-Y263 WeakPolarHBondContact O-CD2 3.32Å
262L98.5Very high97.8Very high0 Ų056.3 Ų56.30%025%0.252CS..EExtended strand (participates in β ladder)trans-89.7106.1166.2173.562.4000108.5V223 A224 I226 L238 F244 R245 L246 L270 L277V223-L262 VanDerWaalsContact CA-O 3.28Å; V223-L262 WeakPolarHBondContact CA-O 3.49Å; A224-L262 PolarHBondContact N-O 3.16Å; A224-L262 PolarHBondContact O-N 3.29Å; I226-L262 HydrophobicContact CD1-CB 4.32Å; I226-L262 HydrophobicContact CD1-CD2 4.25Å; L238-L262 HydrophobicContact CD1-CD1 4.21Å; F244-L262 HydrophobicContact CB-CD1 4.43Å; F244-L262 HydrophobicContact CD2-CD1 3.51Å; F244-L262 HydrophobicContact CE2-CD1 4.19Å; F244-L262 HydrophobicContact CG-CD1 4.33Å; R245-L262 WeakPolarHBondContact O-CA 3.39Å; L246-L262 HydrophobicContact CD2-CB 3.84Å; L246-L262 HydrophobicContact CD2-CD1 3.97Å; L246-L262 HydrophobicContact CG-CD1 4.2Å; L262-L270 HydrophobicContact CD2-CD1 3.91Å; L262-L270 HydrophobicContact CG-CD1 4.26Å; L262-L277 HydrophobicContact CD2-CD1 3.8Å
263Y98.6Very high97.7Very high49 Ų4952.6 Ų52.619%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-104.5128.6-179.9-61.2-96.6000110.5S222 V223 F244 R245 G261S222-Y263 CarbonylContact O-C 3.52Å; S222-Y263 WeakPolarHBondContact O-CA 3.31Å; V223-Y263 HydrophobicContact CB-CD1 3.86Å; V223-Y263 HydrophobicContact CB-CE1 3.91Å; V223-Y263 HydrophobicContact CG2-CD1 3.77Å; V223-Y263 HydrophobicContact CG2-CD2 4.41Å; V223-Y263 HydrophobicContact CG2-CE1 3.55Å; V223-Y263 HydrophobicContact CG2-CE2 4.22Å; V223-Y263 HydrophobicContact CG2-CG 4.19Å; F244-Y263 CarbonylContact C-O 3.57Å; F244-Y263 WeakPolarHBondContact CA-O 3.33Å; F244-Y263 VanDerWaalsContact CB-O 3.31Å; F244-Y263 WeakPolarHBondContact CB-O 3.46Å; R245-Y263 HydrophobicContact CG-CD2 4Å; R245-Y263 HydrophobicContact CG-CG 4.27Å; R245-Y263 PolarHBondContact N-O 3.33Å; R245-Y263 VanDerWaalsContact NH2-CD1 3.29Å; R245-Y263 VanDerWaalsContact NH2-CG 3.33Å; R245-Y263 PolarHBondContact O-N 3.37Å; G261-Y263 WeakPolarHBondContact O-CD2 3.32Å
264C98.3Very high97.7Very high0 Ų054.2 Ų54.20%024%0.243CC..EExtended strand (participates in β ladder)trans-121.2146.1178.1-63.20000110.9E221 S222 A266 Q269 L270E221-C264 WeakPolarHBondContact CA-O 3.21Å; S222-C264 PolarHBondContact N-O 3.29Å; S222-C264 PolarHBondContact O-N 2.95Å; C264-A266 VanDerWaalsContact C-N 3.34Å; C264-Q269 HydrophobicContact CB-CB 4.47Å; C264-Q269 HydrophobicContact CB-CG 4.29Å; C264-L270 HydrophobicContact CB-CB 4.14Å
265R97.3Very high97.6Very high150 Ų15057.9 Ų57.957%0.56626%0.259SS*.SBendtrans-73.3-26.2177.2-68.4-66.6-174.5177.8-2.4113.4T200 E221 G243T200-R265 PolarHBondContact N-O 3.39Å; T200-R265 PolarHBondContact OG1-O 3.28Å; T200-R265 VanDerWaalsContact OG1-O 3.09Å; E221-R265 IonicContact OE1-CZ 2.81Å; E221-R265 IonicContact OE1-NE 3.77Å; E221-R265 PolarHBondContact OE1-NE 2.86Å; E221-R265 IonicContact OE1-NH1 3.02Å; E221-R265 IonicContact OE1-NH2 3.38Å; G243-R265 PolarHBondContact O-N 3.38Å
266A97.5Very high97.7Very high23 Ų2356.4 Ų56.419%0.1925%0.249CC..SBendtrans-120.7144.1177.500000111.3D195 T200 C264 Q269 L270D195-A266 HydrophobicContact CB-CB 4.22Å; D195-A266 WeakPolarHBondContact OD1-CA 3.34Å; T200-A266 WeakPolarHBondContact OG1-CA 3.13Å; C264-A266 VanDerWaalsContact C-N 3.34Å; A266-Q269 HydrophobicContact CB-CB 3.91Å; A266-Q269 WeakPolarHBondContact O-CB 3.47Å; A266-Q269 PolarHBondContact O-N 2.8Å; A266-L270 PolarHBondContact O-N 3.49Å
267H97.7Very high97.7Very high0 Ų051 Ų510%023%0.229CC..Hα-helixtrans-73.3-39.3178.2-167.167.2000112.2W193 D195 T200 S222 Q269 L270 M271 V289 R290 P291W193-H267 HydrophobicContact CE3-CB 4.03Å; W193-H267 HydrophobicContact CH2-CB 4.04Å; W193-H267 AromaticContact CH2-CD2 3.59Å; W193-H267 AromaticContact CZ2-CD2 3.74Å; W193-H267 HydrophobicContact CZ3-CB 3.61Å; D195-H267 PolarHBondContact OD1-N 2.93Å; D195-H267 PolarHBondContact OD2-N 2.72Å; T200-H267 HydrophobicContact CG2-CB 4.45Å; T200-H267 PolarHBondContact OG1-N 2.89Å; S222-H267 WeakPolarHBondContact OG-CA 3.24Å; S222-H267 WeakPolarHBondContact OG-CB 3.5Å; S222-H267 PolarHBondContact OG-ND1 3.18Å; H267-Q269 PolarHBondContact O-N 3.46Å; H267-L270 WeakPolarHBondContact O-CB 3.45Å; H267-L270 PolarHBondContact O-N 2.86Å; H267-L270 VanDerWaalsContact O-N 3.07Å; H267-M271 WeakPolarHBondContact O-CG 3.12Å; H267-M271 PolarHBondContact O-N 3.04Å; H267-V289 PolarHBondContact CE1-O 2.99Å; H267-R290 WeakPolarHBondContact NE2-CD 3.41Å; H267-R290 PolarHBondContact NE2-NH1 2.83Å; H267-P291 HydrophobicContact CB-CG 3.84Å
268R95.8Very high97.6Very high172 Ų17254 Ų5465%0.64924%0.236SC*.Hα-helixtrans-62-31173.7-71176.1-178.2-164.42.7112.3W193 D195 M271 N272W193-R268 HydrophobicContact CH2-CG 4.33Å; D195-R268 WeakPolarHBondContact OD2-CB 3.37Å; D195-R268 WeakPolarHBondContact OD2-CG 3.46Å; D195-R268 PolarHBondContact OD2-N 3.36Å; R268-M271 PolarHBondContact O-N 3.41Å; R268-N272 VanDerWaalsContact O-CG 3.24Å; R268-N272 PolarHBondContact O-N 2.93Å; R268-N272 PolarHBondContact O-ND2 2.95Å
269Q97.4Very high97.5Very high35 Ų3557.4 Ų57.416%0.16425%0.246CC..Hα-helixtrans-63.4-47.4171.8179.1-174.526.500110.9Q242 G243 C264 A266 H267 M271 N272 Y273Q242-Q269 PolarHBondContact O-NE2 2.91Å; G243-Q269 PolarHBondContact O-OE1 3.29Å; C264-Q269 HydrophobicContact CB-CB 4.47Å; C264-Q269 HydrophobicContact CB-CG 4.29Å; A266-Q269 HydrophobicContact CB-CB 3.91Å; A266-Q269 WeakPolarHBondContact O-CB 3.47Å; A266-Q269 PolarHBondContact O-N 2.8Å; H267-Q269 PolarHBondContact O-N 3.46Å; Q269-M271 VanDerWaalsContact C-N 3.34Å; Q269-M271 PolarHBondContact O-N 3.2Å; Q269-N272 PolarHBondContact O-N 3.12Å; Q269-Y273 HydrophobicContact CG-CD2 4.21Å; Q269-Y273 HydrophobicContact CG-CE1 4.14Å; Q269-Y273 HydrophobicContact CG-CE2 3.62Å; Q269-Y273 PolarHBondContact NE2-OH 2.92Å; Q269-Y273 PolarHBondContact O-N 2.7Å
270L98.2Very high97.4Very high1 Ų159 Ų591%0.00526%0.263CS..Hα-helixtrans-59.2-44.1175.3-179.862.9000111.9A224 L262 C264 A266 H267 N272 Y273 E274 A287A224-L270 HydrophobicContact CB-CD1 3.74Å; A224-L270 HydrophobicContact CB-CD2 4.28Å; L262-L270 HydrophobicContact CD2-CD1 3.91Å; L262-L270 HydrophobicContact CG-CD1 4.26Å; C264-L270 HydrophobicContact CB-CB 4.14Å; A266-L270 PolarHBondContact O-N 3.49Å; H267-L270 WeakPolarHBondContact O-CB 3.45Å; H267-L270 PolarHBondContact O-N 2.86Å; H267-L270 VanDerWaalsContact O-N 3.07Å; L270-N272 VanDerWaalsContact C-N 3.3Å; L270-N272 PolarHBondContact O-N 3.02Å; L270-Y273 PolarHBondContact O-N 2.93Å; L270-Y273 VanDerWaalsContact O-N 3.15Å; L270-E274 WeakPolarHBondContact O-CB 3.21Å; L270-E274 PolarHBondContact O-N 3.35Å; L270-A287 HydrophobicContact CG-CB 4.47Å
271M96Very high97.3Very high73 Ų7357.7 Ų57.736%0.3627%0.271SS..Hα-helixtrans-59.9-39.6177.3-67.5176.565.100112.3H267 R268 Q269 K275H267-M271 WeakPolarHBondContact O-CG 3.12Å; H267-M271 PolarHBondContact O-N 3.04Å; R268-M271 PolarHBondContact O-N 3.41Å; Q269-M271 VanDerWaalsContact C-N 3.34Å; Q269-M271 PolarHBondContact O-N 3.2Å; M271-K275 PolarHBondContact O-N 2.84Å
272N96.8Very high97.3Very high102 Ų10257.9 Ų57.955%0.54527%0.272SS..Hα-helixtrans-67.4-39.3175.5-70.9-22.8000112R268 Q269 L270 R276R268-N272 VanDerWaalsContact O-CG 3.24Å; R268-N272 PolarHBondContact O-N 2.93Å; R268-N272 PolarHBondContact O-ND2 2.95Å; Q269-N272 PolarHBondContact O-N 3.12Å; L270-N272 VanDerWaalsContact C-N 3.3Å; L270-N272 PolarHBondContact O-N 3.02Å; N272-R276 WeakPolarHBondContact O-CG 3.37Å; N272-R276 PolarHBondContact O-N 3.34Å; N272-R276 VanDerWaalsContact O-N 3.15Å
273Y98.1Very high97.2Very high5 Ų560 Ų602%0.0229%0.285CS..Hα-helixtrans-70.3-41.4178.4-67.9-5.1000111.9L238 E241 F244 Q269 L270 K275 R276 L277L238-Y273 HydrophobicContact CD1-CD2 4.09Å; L238-Y273 HydrophobicContact CD1-CG 4.39Å; L238-Y273 HydrophobicContact CD2-CD1 3.61Å; L238-Y273 HydrophobicContact CD2-CD2 4.03Å; L238-Y273 HydrophobicContact CD2-CE1 4.03Å; L238-Y273 HydrophobicContact CD2-CE2 4.41Å; L238-Y273 HydrophobicContact CD2-CG 3.62Å; E241-Y273 HydrophobicContact CB-CE1 4.39Å; E241-Y273 VanDerWaalsContact CB-OH 3.3Å; E241-Y273 WeakPolarHBondContact CB-OH 3.36Å; E241-Y273 HydrophobicContact CG-CE1 3.82Å; E241-Y273 VanDerWaalsContact OE2-CE1 3.3Å; E241-Y273 WeakPolarHBondContact OE2-CE1 3.42Å; E241-Y273 PolarHBondContact OE2-OH 2.97Å; F244-Y273 HydrophobicContact CB-CE2 4.03Å; F244-Y273 HydrophobicContact CD1-CE2 4.03Å; F244-Y273 HydrophobicContact CG-CE2 4.03Å; Q269-Y273 HydrophobicContact CG-CD2 4.21Å; Q269-Y273 HydrophobicContact CG-CE1 4.14Å; Q269-Y273 HydrophobicContact CG-CE2 3.62Å; Q269-Y273 PolarHBondContact NE2-OH 2.92Å; Q269-Y273 PolarHBondContact O-N 2.7Å; L270-Y273 PolarHBondContact O-N 2.93Å; L270-Y273 VanDerWaalsContact O-N 3.15Å; Y273-K275 VanDerWaalsContact C-N 3.3Å; Y273-K275 PolarHBondContact O-N 3.27Å; Y273-R276 PolarHBondContact O-N 3.42Å; Y273-L277 WeakPolarHBondContact O-CB 3.19Å; Y273-L277 WeakPolarHBondContact O-CD1 3.49Å; Y273-L277 WeakPolarHBondContact O-CG 3.24Å; Y273-L277 PolarHBondContact O-N 3.41Å
274E97.5Very high97.2Very high38 Ų3857.9 Ų57.918%0.17828%0.277CS..Hα-helixtrans-50.8-52.1172.2-178.2-77.8155.400110.8L270 R276 L277 R278 V284 A287L270-E274 WeakPolarHBondContact O-CB 3.21Å; L270-E274 PolarHBondContact O-N 3.35Å; E274-R276 PolarHBondContact O-N 3.17Å; E274-L277 PolarHBondContact O-N 2.94Å; E274-R278 WeakPolarHBondContact O-CB 3.2Å; E274-R278 PolarHBondContact O-N 3.04Å; E274-R278 IonicContact OE1-CZ 3Å; E274-R278 IonicContact OE1-NE 3.68Å; E274-R278 PolarHBondContact OE1-NE 3.33Å; E274-R278 IonicContact OE1-NH1 3.73Å; E274-R278 IonicContact OE1-NH2 2.76Å; E274-R278 PolarHBondContact OE1-NH2 3.33Å; E274-R278 IonicContact OE2-CZ 3.82Å; E274-R278 IonicContact OE2-NE 3.47Å; E274-R278 IonicContact OE2-NH2 2.8Å; E274-R278 PolarHBondContact OE2-NH2 3.39Å; E274-V284 HydrophobicContact CB-CG1 4.5Å; E274-V284 HydrophobicContact CG-CG1 4.34Å; E274-A287 HydrophobicContact CB-CB 3.8Å; E274-A287 HydrophobicContact CG-CB 3.52Å
275K96.1Very high97.2Very high111 Ų11158.1 Ų58.148%0.48328%0.278SS..Hα-helixtrans-59.4-52.2-178.9-178.7177.5176.2-179.80111.4M271 Y273 R278 E279M271-K275 PolarHBondContact O-N 2.84Å; Y273-K275 VanDerWaalsContact C-N 3.3Å; Y273-K275 PolarHBondContact O-N 3.27Å; K275-R278 PolarHBondContact O-N 3.36Å; K275-E279 WeakPolarHBondContact CE-OE1 3.43Å; K275-E279 HydrophobicContact CG-CG 4.48Å; K275-E279 WeakPolarHBondContact CG-OE1 3.35Å; K275-E279 IonicContact NZ-OE1 3.9Å; K275-E279 WeakPolarHBondContact O-CB 3.36Å; K275-E279 VanDerWaalsContact O-CG 3.28Å; K275-E279 WeakPolarHBondContact O-CG 3.2Å; K275-E279 PolarHBondContact O-N 3.22Å
276R97.6Very high97.3Very high86 Ų8651 Ų5133%0.32525%0.251SS..Hα-helixtrans-63.3-42.8-178.5-75.216857-178.5-1.2112.9I237 E241 N272 Y273 E274 G280I237-R276 HydrophobicContact CG2-CB 4.16Å; I237-R276 PolarHBondContact O-NH2 2.96Å; E241-R276 IonicContact OE1-CZ 3.51Å; E241-R276 IonicContact OE1-NH1 3.32Å; E241-R276 PolarHBondContact OE1-NH1 2.89Å; E241-R276 IonicContact OE1-NH2 3.18Å; E241-R276 PolarHBondContact OE1-NH2 2.91Å; E241-R276 IonicContact OE2-NH1 3.72Å; N272-R276 WeakPolarHBondContact O-CG 3.37Å; N272-R276 PolarHBondContact O-N 3.34Å; N272-R276 VanDerWaalsContact O-N 3.15Å; Y273-R276 PolarHBondContact O-N 3.42Å; E274-R276 PolarHBondContact O-N 3.17Å; R276-G280 PolarHBondContact O-N 3.41Å
277L98.1Very high97.3Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-65.3-47179.2-74.2169.4000110.4I226 A234 I237 L238 L262 Y273 E274 G280 G281 V282 V284I226-L277 HydrophobicContact CD1-CD1 3.86Å; A234-L277 HydrophobicContact CB-CD2 3.71Å; I237-L277 HydrophobicContact CB-CD2 4.05Å; I237-L277 HydrophobicContact CD1-CD2 4.1Å; I237-L277 HydrophobicContact CG2-CD2 4.05Å; L238-L277 HydrophobicContact CD1-CD1 4.23Å; L238-L277 HydrophobicContact CD1-CD2 4.35Å; L238-L277 HydrophobicContact CD2-CG 4.47Å; L238-L277 HydrophobicContact CG-CD2 4.14Å; L262-L277 HydrophobicContact CD2-CD1 3.8Å; Y273-L277 WeakPolarHBondContact O-CB 3.19Å; Y273-L277 WeakPolarHBondContact O-CD1 3.49Å; Y273-L277 WeakPolarHBondContact O-CG 3.24Å; Y273-L277 PolarHBondContact O-N 3.41Å; E274-L277 PolarHBondContact O-N 2.94Å; L277-G280 CarbonylContact O-C 3.52Å; L277-G280 WeakPolarHBondContact O-CA 3.22Å; L277-G280 PolarHBondContact O-N 3.45Å; L277-G280 VanDerWaalsContact O-N 3.14Å; L277-G281 PolarHBondContact O-N 2.91Å; L277-V282 CarbonylContact C-O 3.35Å; L277-V282 HydrophobicContact CB-CB 4.11Å; L277-V282 HydrophobicContact CB-CG1 4.38Å; L277-V282 HydrophobicContact CD2-CB 4.21Å; L277-V282 HydrophobicContact CD2-CG1 4.22Å; L277-V282 HydrophobicContact CD2-CG2 4.35Å; L277-V282 WeakPolarHBondContact O-CB 3.43Å; L277-V282 PolarHBondContact O-N 3.41Å; L277-V284 HydrophobicContact CB-CG2 3.51Å; L277-V284 HydrophobicContact CD1-CG2 3.73Å; L277-V284 HydrophobicContact CG-CG2 4.27Å
278R95.9Very high97.1Very high152 Ų15254.4 Ų54.457%0.57427%0.267SS*.Hα-helixtrans-63.2-45.9177.5-177.2175.352.6170.7-17.1112.2E274 K275 G280 G281 V282E274-R278 WeakPolarHBondContact O-CB 3.2Å; E274-R278 PolarHBondContact O-N 3.04Å; E274-R278 IonicContact OE1-CZ 3Å; E274-R278 IonicContact OE1-NE 3.68Å; E274-R278 PolarHBondContact OE1-NE 3.33Å; E274-R278 IonicContact OE1-NH1 3.73Å; E274-R278 IonicContact OE1-NH2 2.76Å; E274-R278 PolarHBondContact OE1-NH2 3.33Å; E274-R278 IonicContact OE2-CZ 3.82Å; E274-R278 IonicContact OE2-NE 3.47Å; E274-R278 IonicContact OE2-NH2 2.8Å; E274-R278 PolarHBondContact OE2-NH2 3.39Å; K275-R278 PolarHBondContact O-N 3.36Å; R278-G280 PolarHBondContact O-N 2.9Å; R278-G281 PolarHBondContact O-N 3.24Å; R278-V282 WeakPolarHBondContact CA-O 3.31Å
279E96.1Very high97.1Very high137 Ų13747 Ų4764%0.6424%0.241SC*.Hα-helixtrans-61-32.5173.6-74.4172.4175.800111.9K275 G281K275-E279 WeakPolarHBondContact CE-OE1 3.43Å; K275-E279 HydrophobicContact CG-CG 4.48Å; K275-E279 WeakPolarHBondContact CG-OE1 3.35Å; K275-E279 IonicContact NZ-OE1 3.9Å; K275-E279 WeakPolarHBondContact O-CB 3.36Å; K275-E279 VanDerWaalsContact O-CG 3.28Å; K275-E279 WeakPolarHBondContact O-CG 3.2Å; K275-E279 PolarHBondContact O-N 3.22Å; E279-G281 VanDerWaalsContact C-N 3.25Å; E279-G281 PolarHBondContact O-N 3.06Å
280G96.8Very high97.1Very high35 Ų3549.4 Ų49.436%0.36125%0.249SC..THydrogen-bonded Turntrans-81.48.7173.500000115.1R276 L277 R278R276-G280 PolarHBondContact O-N 3.41Å; L277-G280 CarbonylContact O-C 3.52Å; L277-G280 WeakPolarHBondContact O-CA 3.22Å; L277-G280 PolarHBondContact O-N 3.45Å; L277-G280 VanDerWaalsContact O-N 3.14Å; R278-G280 PolarHBondContact O-N 2.9Å
281G96.3Very high97.1Very high42 Ų4249.9 Ų49.943%0.43325%0.251SS..THydrogen-bonded Turntrans69.835.2177.900000113.9R233 L277 R278 E279R233-G281 PolarHBondContact NH1-O 2.91Å; R233-G281 VanDerWaalsContact NH1-O 3.16Å; L277-G281 PolarHBondContact O-N 2.91Å; R278-G281 PolarHBondContact O-N 3.24Å; E279-G281 VanDerWaalsContact C-N 3.25Å; E279-G281 PolarHBondContact O-N 3.06Å
282V97.9Very high97.2Very high4 Ų446.4 Ų46.42%0.02424%0.235CC..  trans-109.9132.3167.8175.50000109.1I226 Q230 R233 A234 I237 L277 R278 V284I226-V282 HydrophobicContact CD1-CG1 4.37Å; I226-V282 HydrophobicContact CG2-CG1 3.69Å; Q230-V282 HydrophobicContact CB-CG1 4.27Å; R233-V282 HydrophobicContact CB-CG2 3.88Å; R233-V282 HydrophobicContact CG-CG2 3.56Å; A234-V282 HydrophobicContact CB-CG1 4.18Å; I237-V282 HydrophobicContact CD1-CG2 3.66Å; L277-V282 CarbonylContact C-O 3.35Å; L277-V282 HydrophobicContact CB-CB 4.11Å; L277-V282 HydrophobicContact CB-CG1 4.38Å; L277-V282 HydrophobicContact CD2-CB 4.21Å; L277-V282 HydrophobicContact CD2-CG1 4.22Å; L277-V282 HydrophobicContact CD2-CG2 4.35Å; L277-V282 WeakPolarHBondContact O-CB 3.43Å; L277-V282 PolarHBondContact O-N 3.41Å; R278-V282 WeakPolarHBondContact CA-O 3.31Å; V282-V284 HydrophobicContact CG1-CG2 4.43Å
283T98Very high97.2Very high44 Ų4443.9 Ų43.927%0.2722%0.219SC..  trans-77127.6176.6-47.90000109.4P227 Q230 Y285P227-T283 WeakPolarHBondContact CD-O 3.39Å; Q230-T283 PolarHBondContact NE2-OG1 2.89Å; Q230-T283 PolarHBondContact OE1-OG1 2.89Å; Q230-T283 VanDerWaalsContact OE1-OG1 3.11Å; T283-Y285 HydrophobicContact CG2-CD1 4.14Å; T283-Y285 HydrophobicContact CG2-CE1 3.45Å; T283-Y285 VanDerWaalsContact CG2-CE1 3.45Å; T283-Y285 HydrophobicContact CG2-CE2 4.02Å
284V98.3Very high97.2Very high5 Ų545.1 Ų45.13%0.0322%0.224CC..  trans-128.4117.3179.4-176.30000108.5A224 F225 I226 E274 L277 V282 A287 N571A224-V284 HydrophobicContact CB-CG1 3.7Å; F225-V284 WeakPolarHBondContact O-CA 3.04Å; I226-V284 HydrophobicContact CG1-CG2 4.44Å; E274-V284 HydrophobicContact CB-CG1 4.5Å; E274-V284 HydrophobicContact CG-CG1 4.34Å; L277-V284 HydrophobicContact CB-CG2 3.51Å; L277-V284 HydrophobicContact CD1-CG2 3.73Å; L277-V284 HydrophobicContact CG-CG2 4.27Å; V282-V284 HydrophobicContact CG1-CG2 4.43Å; V284-A287 HydrophobicContact CG1-CB 4.03Å; V284-N571 PolarHBondContact O-ND2 3.47Å
285Y98.4Very high97.3Very high5 Ų544.3 Ų44.32%0.0222%0.219CC..BIsolated β-bridgetrans-97.6148.5-178.9-53.3-69.4000111.8A224 F225 P227 D253 T283 A287 V568 A569 E574A224-Y285 WeakPolarHBondContact CA-O 3.48Å; A224-Y285 VanDerWaalsContact CB-O 3.3Å; A224-Y285 WeakPolarHBondContact CB-O 3.36Å; F225-Y285 HydrophobicContact CB-CD2 4.29Å; F225-Y285 PolarHBondContact N-O 2.81Å; F225-Y285 PolarHBondContact O-N 3.19Å; P227-Y285 HydrophobicContact CG-CE2 3.75Å; D253-Y285 HydrophobicContact CB-CD2 4.38Å; D253-Y285 HydrophobicContact CB-CE2 3.57Å; D253-Y285 PolarHBondContact OD2-OH 3.47Å; T283-Y285 HydrophobicContact CG2-CD1 4.14Å; T283-Y285 HydrophobicContact CG2-CE1 3.45Å; T283-Y285 VanDerWaalsContact CG2-CE1 3.45Å; T283-Y285 HydrophobicContact CG2-CE2 4.02Å; Y285-A287 PolarHBondContact O-N 2.81Å; Y285-V568 HydrophobicContact CD2-CG2 4.09Å; Y285-V568 HydrophobicContact CG-CG2 4.45Å; Y285-A569 WeakPolarHBondContact CB-O 3.22Å; Y285-A569 WeakPolarHBondContact CD1-O 3.19Å; Y285-E574 WeakPolarHBondContact CE1-OE1 3.44Å
286E98.1Very high97.4Very high0 Ų039 Ų390%020%0.196CC..SBendtrans57.916.7170.7-54.7-173.8-150.500117.7F225 D288 V289 R294 F559 H563 V568 A569F225-E286 HydrophobicContact CD2-CB 4.12Å; F225-E286 HydrophobicContact CD2-CG 4.17Å; F225-E286 HydrophobicContact CE2-CB 4.14Å; F225-E286 HydrophobicContact CE2-CG 4.22Å; E286-D288 WeakPolarHBondContact CA-OD1 3.39Å; E286-D288 PolarHBondContact O-N 3.02Å; E286-V289 HydrophobicContact CB-CG2 4.19Å; E286-V289 PolarHBondContact O-N 3.45Å; E286-R294 VanDerWaalsContact CB-NH2 3.35Å; E286-R294 IonicContact OE2-CZ 3.4Å; E286-R294 IonicContact OE2-NH1 3.09Å; E286-R294 PolarHBondContact OE2-NH1 3.29Å; E286-R294 IonicContact OE2-NH2 2.98Å; E286-R294 PolarHBondContact OE2-NH2 3.5Å; E286-F559 HydrophobicContact CB-CE2 4.48Å; E286-F559 HydrophobicContact CG-CE2 3.83Å; E286-F559 HydrophobicContact CG-CZ 4.42Å; E286-F559 WeakPolarHBondContact OE2-CE2 3.47Å; E286-H563 IonicContact OE1-CE1 2.89Å; E286-H563 IonicContact OE1-NE2 2.62Å; E286-H563 PolarHBondContact OE1-NE2 2.8Å; E286-H563 IonicContact OE2-CE1 3.22Å; E286-H563 IonicContact OE2-NE2 2.63Å; E286-H563 PolarHBondContact OE2-NE2 3Å; E286-V568 WeakPolarHBondContact OE1-CA 3.5Å; E286-V568 WeakPolarHBondContact OE1-CB 3.45Å; E286-A569 HydrophobicContact CG-CB 3.93Å; E286-A569 PolarHBondContact OE1-N 3.39Å
287A97.3Very high97.4Very high7 Ų735.6 Ų35.66%0.05818%0.184CC..THydrogen-bonded Turntrans-67.7-13.4173.100000113.4A224 L270 E274 V284 Y285 V289A224-A287 HydrophobicContact CB-CB 3.97Å; L270-A287 HydrophobicContact CG-CB 4.47Å; E274-A287 HydrophobicContact CB-CB 3.8Å; E274-A287 HydrophobicContact CG-CB 3.52Å; V284-A287 HydrophobicContact CG1-CB 4.03Å; Y285-A287 PolarHBondContact O-N 2.81Å; A287-V289 VanDerWaalsContact C-N 3.33Å
288D94.5Very high97.4Very high88 Ų8837.5 Ų37.547%0.47119%0.193SC..THydrogen-bonded Turntrans-75.8-18.2175.363.3-64.1000113.6E286 R290 R690E286-D288 WeakPolarHBondContact CA-OD1 3.39Å; E286-D288 PolarHBondContact O-N 3.02Å; D288-R290 PolarHBondContact O-N 2.97Å; D288-R290 PolarHBondContact O-NH1 3.07Å; D288-R690 VanDerWaalsContact CG-NH1 3.26Å; D288-R690 IonicContact OD1-CZ 3.75Å; D288-R690 IonicContact OD1-NH1 2.96Å; D288-R690 PolarHBondContact OD1-NH1 2.99Å; D288-R690 IonicContact OD1-NH2 2.94Å; D288-R690 PolarHBondContact OD1-NH2 3.38Å; D288-R690 IonicContact OD2-NH1 2.64Å; D288-R690 PolarHBondContact OD2-NH1 3.25Å
289V96.6Very high97.4Very high16 Ų1635 Ų3510%0.09718%0.184CC..  trans-74.1115.9-178.4-171.80000110.2H267 E286 A287 E293 R294 M297 F559H267-V289 PolarHBondContact CE1-O 2.99Å; E286-V289 HydrophobicContact CB-CG2 4.19Å; E286-V289 PolarHBondContact O-N 3.45Å; A287-V289 VanDerWaalsContact C-N 3.33Å; V289-E293 HydrophobicContact CG1-CB 4.35Å; V289-R294 HydrophobicContact CG1-CB 3.84Å; V289-M297 HydrophobicContact CG1-CE 4.12Å; V289-F559 HydrophobicContact CG2-CD2 4.41Å; V289-F559 HydrophobicContact CG2-CE2 3.7Å; V289-F559 HydrophobicContact CG2-CZ 4.47Å
290R96.6Very high97.4Very high87 Ų8732.6 Ų32.633%0.32817%0.171SC..  trans-73.3153.4-179.7-65.9-68.6174.3-97.7-10.2111.6H267 D288 E293 R294H267-R290 WeakPolarHBondContact NE2-CD 3.41Å; H267-R290 PolarHBondContact NE2-NH1 2.83Å; D288-R290 PolarHBondContact O-N 2.97Å; D288-R290 PolarHBondContact O-NH1 3.07Å; R290-E293 WeakPolarHBondContact CB-OE2 3.34Å; R290-E293 PolarHBondContact O-N 2.92Å; R290-R294 PolarHBondContact O-N 2.98Å
291P98.1Very high97.4Very high10 Ų1030.9 Ų30.97%0.06515%0.154CC..Hα-helixtrans-56-44.2-174.1-24.433000115.6W193 T200 V202 H267 R294 Y295W193-P291 HydrophobicContact CB-CB 4.21Å; W193-P291 HydrophobicContact CB-CG 4.26Å; W193-P291 HydrophobicContact CD2-CG 4.04Å; W193-P291 HydrophobicContact CE3-CG 4.25Å; W193-P291 HydrophobicContact CG-CB 4.42Å; W193-P291 HydrophobicContact CG-CG 4.04Å; T200-P291 HydrophobicContact CG2-CB 4.11Å; T200-P291 HydrophobicContact CG2-CG 3.86Å; V202-P291 HydrophobicContact CG2-CB 3.66Å; H267-P291 HydrophobicContact CB-CG 3.84Å; P291-R294 PolarHBondContact O-N 3.43Å; P291-Y295 PolarHBondContact O-N 2.99Å; P291-Y295 VanDerWaalsContact O-N 3.15Å
292P97.9Very high97.4Very high1 Ų129.9 Ų29.91%0.00614%0.14CC..Hα-helixtrans-63.5-47.3177.8-19.232.1000111.5R191 W193 V202 F204 R294 Y295 L296R191-P292 HydrophobicContact CB-CB 3.87Å; R191-P292 HydrophobicContact CB-CG 4.44Å; W193-P292 HydrophobicContact CB-CG 3.89Å; W193-P292 HydrophobicContact CG-CG 4.16Å; V202-P292 HydrophobicContact CG1-CB 4.18Å; V202-P292 HydrophobicContact CG1-CG 4.19Å; F204-P292 HydrophobicContact CE1-CB 3.83Å; F204-P292 HydrophobicContact CZ-CB 4.12Å; P292-R294 PolarHBondContact O-N 2.61Å; P292-Y295 PolarHBondContact O-N 3.46Å; P292-L296 WeakPolarHBondContact O-CG 3.45Å; P292-L296 PolarHBondContact O-N 2.91Å; P292-L296 VanDerWaalsContact O-N 3.09Å
293E97.6Very high97.4Very high48 Ų4829.7 Ų29.722%0.22414%0.138CC..Hα-helixtrans-58.8-45.8178-75.565.6-153.100111.3R191 V289 R290 Y295 L296 M297R191-E293 IonicContact NH1-OE1 2.78Å; V289-E293 HydrophobicContact CG1-CB 4.35Å; R290-E293 WeakPolarHBondContact CB-OE2 3.34Å; R290-E293 PolarHBondContact O-N 2.92Å; E293-Y295 VanDerWaalsContact C-N 3.34Å; E293-Y295 PolarHBondContact O-N 3.36Å; E293-L296 PolarHBondContact O-N 3.13Å; E293-M297 HydrophobicContact CB-CE 4.41Å; E293-M297 WeakPolarHBondContact O-CB 3.43Å; E293-M297 PolarHBondContact O-N 2.86Å
294R98.2Very high97.3Very high31 Ų3127.8 Ų27.812%0.11713%0.127CC..Hα-helixtrans-56.1-48.6177.2178.162.970.1-177.96.2111.3E286 V289 R290 P291 P292 E298 H563E286-R294 VanDerWaalsContact CB-NH2 3.35Å; E286-R294 IonicContact OE2-CZ 3.4Å; E286-R294 IonicContact OE2-NH1 3.09Å; E286-R294 PolarHBondContact OE2-NH1 3.29Å; E286-R294 IonicContact OE2-NH2 2.98Å; E286-R294 PolarHBondContact OE2-NH2 3.5Å; V289-R294 HydrophobicContact CG1-CB 3.84Å; R290-R294 PolarHBondContact O-N 2.98Å; P291-R294 PolarHBondContact O-N 3.43Å; P292-R294 PolarHBondContact O-N 2.61Å; R294-E298 IonicContact NH1-OE1 3.22Å; R294-E298 PolarHBondContact NH1-OE1 3.33Å; R294-E298 WeakPolarHBondContact O-CG 3.2Å; R294-E298 PolarHBondContact O-N 3.11Å; R294-E298 VanDerWaalsContact O-N 3.12Å; R294-H563 PolarHBondContact NH1-CE1 2.76Å; R294-H563 VanDerWaalsContact NH1-CE1 3.27Å
295Y98.3Very high97.3Very high21 Ų2127.5 Ų27.58%0.08213%0.125CC..Hα-helixtrans-63-45.5-177.4-178.9-91.5000112.3F204 L217 P291 P292 E293 R299 L321F204-Y295 HydrophobicContact CE2-CD1 4.2Å; F204-Y295 HydrophobicContact CZ-CD1 4.21Å; L217-Y295 HydrophobicContact CD1-CD1 3.66Å; L217-Y295 HydrophobicContact CD1-CD2 3.44Å; L217-Y295 VanDerWaalsContact CD1-CD2 3.44Å; L217-Y295 HydrophobicContact CD1-CE1 3.75Å; L217-Y295 HydrophobicContact CD1-CE2 3.52Å; L217-Y295 HydrophobicContact CD1-CG 3.49Å; L217-Y295 VanDerWaalsContact CD1-CG 3.49Å; L217-Y295 HydrophobicContact CD2-CE1 4Å; L217-Y295 HydrophobicContact CD2-CE2 4.39Å; P291-Y295 PolarHBondContact O-N 2.99Å; P291-Y295 VanDerWaalsContact O-N 3.15Å; P292-Y295 PolarHBondContact O-N 3.46Å; E293-Y295 VanDerWaalsContact C-N 3.34Å; E293-Y295 PolarHBondContact O-N 3.36Å; Y295-R299 WeakPolarHBondContact O-CD 3.37Å; Y295-R299 WeakPolarHBondContact O-CG 3.26Å; Y295-L321 HydrophobicContact CE1-CB 4Å; Y295-L321 HydrophobicContact CE1-CD1 4.23Å; Y295-L321 HydrophobicContact CE1-CG 4.19Å; Y295-L321 PolarHBondContact OH-N 3.2Å; Y295-L321 VanDerWaalsContact OH-N 3.14Å
296L98.3Very high97.2Very high0 Ų031.7 Ų31.70%014%0.141CC..Hα-helixtrans-67.7-46.7178.9-60.5179.3000111.4I188 R191 F204 P292 E293 R299 F300 I301 L321I188-L296 HydrophobicContact CD1-CD1 3.9Å; I188-L296 HydrophobicContact CD1-CD2 3.53Å; I188-L296 HydrophobicContact CD1-CG 4.38Å; R191-L296 HydrophobicContact CG-CD1 4.41Å; F204-L296 HydrophobicContact CD1-CD1 4.44Å; F204-L296 HydrophobicContact CE1-CD1 3.7Å; F204-L296 HydrophobicContact CE1-CD2 3.83Å; F204-L296 HydrophobicContact CE1-CG 3.81Å; F204-L296 HydrophobicContact CE2-CD2 4.44Å; F204-L296 HydrophobicContact CZ-CD1 4.33Å; F204-L296 HydrophobicContact CZ-CD2 3.77Å; F204-L296 HydrophobicContact CZ-CG 3.92Å; P292-L296 WeakPolarHBondContact O-CG 3.45Å; P292-L296 PolarHBondContact O-N 2.91Å; P292-L296 VanDerWaalsContact O-N 3.09Å; E293-L296 PolarHBondContact O-N 3.13Å; L296-R299 CarbonylContact O-C 3.51Å; L296-R299 PolarHBondContact O-N 3.09Å; L296-F300 PolarHBondContact O-N 3.09Å; L296-I301 HydrophobicContact CB-CB 4.13Å; L296-I301 HydrophobicContact CB-CG2 4.36Å; L296-I301 HydrophobicContact CD2-CB 4.11Å; L296-I301 HydrophobicContact CD2-CD1 4.23Å; L296-I301 HydrophobicContact CD2-CG2 3.71Å; L296-I301 PolarHBondContact O-N 3.38Å; L296-L321 HydrophobicContact CD2-CD1 4.13Å
297M97.6Very high97.1Very high14 Ų1431.7 Ų31.77%0.06914%0.141CC..Hα-helixtrans-57.5-52.5-177.2-177.8-178.4-50.800112.6V289 E293 R299 F300 H556 F559 P560V289-M297 HydrophobicContact CG1-CE 4.12Å; E293-M297 HydrophobicContact CB-CE 4.41Å; E293-M297 WeakPolarHBondContact O-CB 3.43Å; E293-M297 PolarHBondContact O-N 2.86Å; M297-R299 PolarHBondContact O-N 3.22Å; M297-R299 VanDerWaalsContact O-N 3.1Å; M297-F300 PolarHBondContact O-N 2.92Å; M297-F300 VanDerWaalsContact O-N 3.07Å; M297-H556 VanDerWaalsContact CA-CE1 3.44Å; M297-H556 WeakPolarHBondContact CA-CE1 3.26Å; M297-H556 HydrophobicContact CE-CB 4.41Å; M297-F559 HydrophobicContact CG-CB 3.83Å; M297-F559 HydrophobicContact SD-CB 3.29Å; M297-F559 WeakPolarHBondContact SD-CB 3.44Å; M297-F559 HydrophobicContact SD-CD1 4.39Å; M297-F559 HydrophobicContact SD-CD2 3.46Å; M297-F559 WeakPolarHBondContact SD-CD2 3.33Å; M297-F559 HydrophobicContact SD-CE2 4.37Å; M297-F559 HydrophobicContact SD-CG 3.47Å; M297-F559 WeakPolarHBondContact SD-CG 3.43Å; M297-P560 VanDerWaalsContact O-CB 3.3Å; M297-P560 WeakPolarHBondContact O-CB 3.3Å; M297-P560 WeakPolarHBondContact O-CG 3.34Å
298E97.7Very high96.8Very high40 Ų4032.7 Ų32.719%0.18714%0.144CC..THydrogen-bonded Turntrans-67-14.3-178.5-64.6-50.2138.600114.2R294 H563 R564R294-E298 IonicContact NH1-OE1 3.22Å; R294-E298 PolarHBondContact NH1-OE1 3.33Å; R294-E298 WeakPolarHBondContact O-CG 3.2Å; R294-E298 PolarHBondContact O-N 3.11Å; R294-E298 VanDerWaalsContact O-N 3.12Å; E298-H563 IonicContact OE1-CE1 2.97Å; E298-H563 PolarHBondContact OE1-CE1 3.16Å; E298-H563 IonicContact OE1-ND1 2.69Å; E298-H563 PolarHBondContact OE1-ND1 3.28Å; E298-H563 IonicContact OE2-CE1 2.67Å; E298-H563 IonicContact OE2-CG 3.67Å; E298-H563 IonicContact OE2-ND1 2.64Å; E298-H563 PolarHBondContact OE2-ND1 3.18Å; E298-R564 PolarHBondContact O-NH2 2.7Å; E298-R564 VanDerWaalsContact O-NH2 3.16Å; E298-R564 IonicContact OE2-NH1 2.92Å
299R97Very high96.5Very high100 Ų10029.4 Ų29.438%0.37713%0.132SC..THydrogen-bonded Turntrans-102.78.4178.4-69.4177168-98.3-10.2113.1Y295 L296 M297 I301 L321 P323Y295-R299 WeakPolarHBondContact O-CD 3.37Å; Y295-R299 WeakPolarHBondContact O-CG 3.26Å; L296-R299 CarbonylContact O-C 3.51Å; L296-R299 PolarHBondContact O-N 3.09Å; M297-R299 PolarHBondContact O-N 3.22Å; M297-R299 VanDerWaalsContact O-N 3.1Å; R299-I301 HydrophobicContact CB-CD1 3.73Å; R299-I301 HydrophobicContact CB-CG1 3.87Å; R299-I301 PolarHBondContact O-N 3.07Å; R299-L321 PolarHBondContact NH1-O 3.16Å; R299-P323 VanDerWaalsContact O-CG 3.24Å; R299-P323 WeakPolarHBondContact O-CG 3.17Å
300F95.7Very high96.2Very high86 Ų8632.4 Ų32.438%0.37715%0.147SC..THydrogen-bonded Turntrans5725.5-176.1-58.2-93.3000113.3L296 M297 P323 P560 R561L296-F300 PolarHBondContact O-N 3.09Å; M297-F300 PolarHBondContact O-N 2.92Å; M297-F300 VanDerWaalsContact O-N 3.07Å; F300-P323 HydrophobicContact CB-CG 4.44Å; F300-P560 HydrophobicContact CD1-CB 4.11Å; F300-P560 HydrophobicContact CD1-CG 3.92Å; F300-P560 HydrophobicContact CD2-CB 4.47Å; F300-P560 HydrophobicContact CE1-CB 3.74Å; F300-P560 HydrophobicContact CE1-CG 3.81Å; F300-P560 HydrophobicContact CE2-CB 4.12Å; F300-P560 HydrophobicContact CG-CB 4.47Å; F300-P560 HydrophobicContact CZ-CB 3.75Å; F300-P560 HydrophobicContact CZ-CG 4.34Å; F300-R561 HydrophobicContact CE1-CG 3.86Å; F300-R561 HydrophobicContact CZ-CG 4.47Å
301I97.1Very high95.9Very high0 Ų034 Ų340%016%0.159CC..  trans-87.8135.5179.1-63.1169000109I188 L296 R299 V305 L321 P323 H556I188-I301 HydrophobicContact CD1-CG2 3.91Å; L296-I301 HydrophobicContact CB-CB 4.13Å; L296-I301 HydrophobicContact CB-CG2 4.36Å; L296-I301 HydrophobicContact CD2-CB 4.11Å; L296-I301 HydrophobicContact CD2-CD1 4.23Å; L296-I301 HydrophobicContact CD2-CG2 3.71Å; L296-I301 PolarHBondContact O-N 3.38Å; R299-I301 HydrophobicContact CB-CD1 3.73Å; R299-I301 HydrophobicContact CB-CG1 3.87Å; R299-I301 PolarHBondContact O-N 3.07Å; I301-V305 HydrophobicContact CB-CG1 4.49Å; I301-V305 HydrophobicContact CD1-CG1 4.3Å; I301-V305 HydrophobicContact CG1-CG1 4.41Å; I301-V305 HydrophobicContact CG2-CG1 3.33Å; I301-L321 HydrophobicContact CD1-CB 3.61Å; I301-P323 HydrophobicContact CG1-CG 3.79Å; I301-H556 PolarHBondContact O-CE1 2.75Å; I301-H556 PolarHBondContact O-NE2 3.43Å
302T96.2Very high95.4Very high21 Ų2138.8 Ų38.813%0.12918%0.181CC..SBendtrans-106.7-77.5169.6540000110.6R191 T538 L557R191-T302 PolarHBondContact NH2-O 3.38Å; T302-T538 WeakPolarHBondContact CB-O 3.27Å; T302-T538 VanDerWaalsContact CG2-O 3.22Å; T302-T538 WeakPolarHBondContact CG2-O 3.23Å; T302-T538 PolarHBondContact OG1-O 3.5Å; T302-L557 HydrophobicContact CG2-CD2 4.34Å
303S97.6Very high95Very high0 Ų045.9 Ų45.90%022%0.219CC..SBendtrans-135-45.5176.4-53.70000114.2F187 I188 V305F187-S303 WeakPolarHBondContact CA-O 3.41Å; I188-S303 WeakPolarHBondContact CG1-O 3.41Å; I188-S303 PolarHBondContact N-O 3.39Å; S303-V305 PolarHBondContact O-N 2.89Å
304P97Very high94.5Very high3 Ų346.3 Ų46.32%0.01924%0.236CC..EExtended strand (participates in β ladder)trans-70.5130.6175.7-16.431.7000111.1F187 H324 T538F187-P304 HydrophobicContact CD2-CB 4.41Å; F187-P304 HydrophobicContact CD2-CG 3.96Å; F187-P304 HydrophobicContact CE2-CG 3.89Å; P304-H324 HydrophobicContact CB-CB 3.89Å; P304-H324 PolarHBondContact O-N 2.93Å; P304-T538 HydrophobicContact CG-CG2 3.7Å
305V97.8Very high94.2Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-141.1148.5-175.4-67.60000113.3G186 I188 L206 I301 S303 L321 K322G186-V305 PolarHBondContact N-O 2.89Å; G186-V305 WeakPolarHBondContact O-CG2 3.26Å; G186-V305 PolarHBondContact O-N 3.15Å; I188-V305 HydrophobicContact CD1-CG1 3.8Å; I188-V305 HydrophobicContact CG1-CG1 4.25Å; I188-V305 HydrophobicContact CG1-CG2 4.21Å; L206-V305 HydrophobicContact CD1-CG2 3.86Å; L206-V305 HydrophobicContact CD2-CG2 3.9Å; I301-V305 HydrophobicContact CB-CG1 4.49Å; I301-V305 HydrophobicContact CD1-CG1 4.3Å; I301-V305 HydrophobicContact CG1-CG1 4.41Å; I301-V305 HydrophobicContact CG2-CG1 3.33Å; S303-V305 PolarHBondContact O-N 2.89Å; V305-L321 HydrophobicContact CB-CD2 4.45Å; V305-L321 HydrophobicContact CG1-CB 4.37Å; V305-L321 HydrophobicContact CG2-CD2 4.25Å; V305-K322 CarbonylContact C-O 3.41Å; V305-K322 WeakPolarHBondContact CA-O 3.26Å; V305-K322 WeakPolarHBondContact CB-O 3.38Å
306W96.5Very high93.9Very high93 Ų9344.9 Ų44.935%0.35223%0.234SC..EExtended strand (participates in β ladder)trans-86.2132.5150.8-74.8111.4000108.8A183 A185 L321 K322 H324A183-W306 HydrophobicContact CB-CD2 4.31Å; A183-W306 HydrophobicContact CB-CE3 3.64Å; A183-W306 HydrophobicContact CB-CZ3 4.11Å; A183-W306 WeakPolarHBondContact O-CZ3 3.29Å; A185-W306 HydrophobicContact CB-CE3 4.2Å; A185-W306 HydrophobicContact CB-CH2 4.14Å; A185-W306 HydrophobicContact CB-CZ3 3.82Å; W306-L321 WeakPolarHBondContact O-CA 3.26Å; W306-K322 HydrophobicContact CB-CB 4.47Å; W306-K322 PolarHBondContact N-O 2.86Å; W306-K322 PolarHBondContact O-N 2.72Å; W306-H324 AromaticContact CD1-CD2 3.78Å; W306-H324 AromaticContact CD2-CD2 3.63Å; W306-H324 AromaticContact CE2-CD2 3.25Å; W306-H324 AromaticContact CE2-NE2 3.39Å; W306-H324 AromaticContact CG-CD2 3.98Å; W306-H324 AromaticContact CH2-NE2 3.76Å; W306-H324 AromaticContact CZ2-CD2 3.61Å; W306-H324 AromaticContact CZ2-NE2 3.2Å; W306-H324 WeakPolarHBondContact CZ2-NE2 3.32Å; W306-H324 AromaticContact NE1-CD2 3.35Å; W306-H324 PolarHBondContact NE1-CD2 3.16Å; W306-H324 VanDerWaalsContact NE1-CD2 3.35Å; W306-H324 AromaticContact NE1-CG 3.89Å; W306-H324 AromaticContact NE1-NE2 3.71Å
307V95.3Very high93.7Very high0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-112.7134170.859.90000111.2A183 Q184 L206 L213 V215 I316 A319 L321A183-V307 WeakPolarHBondContact CA-O 3.47Å; Q184-V307 HydrophobicContact CB-CG1 3.99Å; Q184-V307 PolarHBondContact N-O 3.17Å; Q184-V307 VanDerWaalsContact N-O 3.13Å; Q184-V307 WeakPolarHBondContact O-CG1 3.48Å; Q184-V307 PolarHBondContact O-N 2.94Å; L206-V307 HydrophobicContact CD1-CB 4.01Å; L206-V307 HydrophobicContact CD1-CG1 3.81Å; L213-V307 HydrophobicContact CD2-CG1 4.03Å; V215-V307 HydrophobicContact CG1-CG2 3.8Å; V215-V307 HydrophobicContact CG2-CG2 3.95Å; V307-I316 HydrophobicContact CB-CD1 4.45Å; V307-I316 HydrophobicContact CG1-CD1 3.86Å; V307-I316 HydrophobicContact CG2-CB 4.48Å; V307-I316 HydrophobicContact CG2-CD1 3.73Å; V307-I316 HydrophobicContact CG2-CG2 4.19Å; V307-A319 HydrophobicContact CG2-CB 4.29Å; V307-L321 HydrophobicContact CB-CD2 3.52Å; V307-L321 HydrophobicContact CG2-CD2 3.58Å
308E91Very high93.4Very high27 Ų2750.6 Ų50.613%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-127.4144.4172.2-60.5167.1-150.400109A183 A319 R320 K322A183-E308 HydrophobicContact CB-CG 4.24Å; E308-A319 CarbonylContact O-C 3.52Å; E308-A319 VanDerWaalsContact O-CA 3.23Å; E308-A319 WeakPolarHBondContact O-CA 3.41Å; E308-R320 PolarHBondContact N-O 3.1Å; E308-R320 PolarHBondContact O-N 3.07Å; E308-R320 IonicContact OE2-CZ 2.89Å; E308-R320 IonicContact OE2-NE 3.83Å; E308-R320 PolarHBondContact OE2-NE 2.84Å; E308-R320 IonicContact OE2-NH2 3.69Å; E308-R320 PolarHBondContact OE2-NH2 2.9Å; E308-K322 IonicContact OE1-NZ 3.22Å; E308-K322 PolarHBondContact OE1-NZ 2.9Å; E308-K322 IonicContact OE2-NZ 2.76Å
309G89.5Confident93.3Very high20 Ų2049 Ų4921%0.20626%0.259CS..EExtended strand (participates in β ladder)trans166.5-164.6174.500000112.4H181 I316H181-G309 PolarHBondContact ND1-O 3.24Å; G309-I316 VanDerWaalsContact CA-CG2 3.5Å
310D89.5Confident93.2Very high78 Ų7850.2 Ų50.242%0.41726%0.264SS..EExtended strand (participates in β ladder)trans-96.3126.7-179.7-54.2-50.3000109.8H312 I316 V317 N318D310-H312 PolarHBondContact O-N 3.14Å; D310-I316 CarbonylContact O-C 3.44Å; D310-I316 WeakPolarHBondContact O-CA 3.36Å; D310-V317 HydrophobicContact CB-CG2 4.02Å; D310-V317 PolarHBondContact N-O 3.16Å; D310-V317 PolarHBondContact O-N 3.5Å; D310-N318 PolarHBondContact OD2-ND2 3.36Å
311M89.4Confident93.2Very high120 Ų12046.1 Ų46.159%0.59125%0.246SC*.EExtended strand (participates in β ladder)trans-73.9125.2174.7-17463.169.300110.1A315 I316M311-A315 CarbonylContact C-O 3.57Å; M311-I316 HydrophobicContact CE-CG1 4.15Å
312H89Confident93.1Very high111 Ų11150.6 Ų50.651%0.51427%0.266SS..EExtended strand (participates in β ladder)trans-141.9114.3178.2-171.369.9000110.2D310 G314 A315 V317D310-H312 PolarHBondContact O-N 3.14Å; H312-G314 VanDerWaalsContact C-N 3.26Å; H312-G314 PolarHBondContact O-N 2.86Å; H312-A315 PolarHBondContact N-O 3.49Å; H312-A315 PolarHBondContact O-N 3.36Å; H312-V317 HydrophobicContact CB-CG1 4.19Å; H312-V317 HydrophobicContact CB-CG2 3.94Å
313N88.7Confident93Very high151 Ų15152.5 Ų52.581%0.80728%0.278SS*.THydrogen-bonded Turntrans50.639.9-179.4-61-23.2000114.3A315N313-A315 VanDerWaalsContact C-N 3.27Å; N313-A315 PolarHBondContact O-N 2.76Å
314G86.2Confident92.8Very high56 Ų5653.6 Ų53.658%0.57728%0.283SS*.THydrogen-bonded Turntrans79.60.7-179.400000115.2H312H312-G314 VanDerWaalsContact C-N 3.26Å; H312-G314 PolarHBondContact O-N 2.86Å
315A92.2Very high92.1Very high13 Ų1358.5 Ų58.511%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-109.9156.8171.700000110.8Q214 M311 H312 N313Q214-A315 HydrophobicContact CB-CB 3.99Å; Q214-A315 HydrophobicContact CG-CB 4.49Å; Q214-A315 CarbonylContact O-C 3.59Å; Q214-A315 WeakPolarHBondContact O-CA 3.18Å; Q214-A315 WeakPolarHBondContact O-CB 3.41Å; M311-A315 CarbonylContact C-O 3.57Å; H312-A315 PolarHBondContact N-O 3.49Å; H312-A315 PolarHBondContact O-N 3.36Å; N313-A315 VanDerWaalsContact C-N 3.27Å; N313-A315 PolarHBondContact O-N 2.76Å
316I92.9Very high91.5Very high9 Ų963.8 Ų63.85%0.04634%0.343CS..EExtended strand (participates in β ladder)trans-95.3123.2170.4-60.4-175.4000109.1L213 Q214 V215 T216 V307 G309 D310 M311 A319L213-I316 HydrophobicContact CD1-CG1 4.15Å; L213-I316 HydrophobicContact CD2-CD1 3.73Å; L213-I316 HydrophobicContact CD2-CG1 4.23Å; L213-I316 HydrophobicContact CG-CD1 4.44Å; L213-I316 HydrophobicContact CG-CG1 4.42Å; Q214-I316 PolarHBondContact O-N 3.37Å; V215-I316 CarbonylContact C-O 3.53Å; V215-I316 WeakPolarHBondContact CA-O 3.02Å; V215-I316 HydrophobicContact CG2-CB 4.42Å; T216-I316 PolarHBondContact N-O 3.1Å; V307-I316 HydrophobicContact CB-CD1 4.45Å; V307-I316 HydrophobicContact CG1-CD1 3.86Å; V307-I316 HydrophobicContact CG2-CB 4.48Å; V307-I316 HydrophobicContact CG2-CD1 3.73Å; V307-I316 HydrophobicContact CG2-CG2 4.19Å; G309-I316 VanDerWaalsContact CA-CG2 3.5Å; D310-I316 CarbonylContact O-C 3.44Å; D310-I316 WeakPolarHBondContact O-CA 3.36Å; M311-I316 HydrophobicContact CE-CG1 4.15Å; I316-A319 HydrophobicContact CG2-CB 3.81Å
317V93.7Very high91.3Very high39 Ų3960.3 Ų60.324%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-107.7165.3172.3-59.90000110.8T216 D310 H312 A319T216-V317 CarbonylContact O-C 3.58Å; T216-V317 WeakPolarHBondContact O-CA 3.23Å; D310-V317 HydrophobicContact CB-CG2 4.02Å; D310-V317 PolarHBondContact N-O 3.16Å; D310-V317 PolarHBondContact O-N 3.5Å; H312-V317 HydrophobicContact CB-CG1 4.19Å; H312-V317 HydrophobicContact CB-CG2 3.94Å; V317-A319 PolarHBondContact O-N 3.01Å; V317-A319 VanDerWaalsContact O-N 3.15Å
318N92.5Very high91.2Very high95 Ų9563.8 Ų63.851%0.50834%0.343SS..EExtended strand (participates in β ladder)trans53.632.6-174.1-56.2-44.1000112.7T216 D310T216-N318 PolarHBondContact O-N 2.94Å; D310-N318 PolarHBondContact OD2-ND2 3.36Å
319A94.5Very high91.5Very high6 Ų663.1 Ų63.15%0.0534%0.341CS..EExtended strand (participates in β ladder)trans-72.6152.5-164.600000113.3V215 T216 L217 V307 E308 I316 V317V215-A319 HydrophobicContact CG1-CB 3.19Å; T216-A319 PolarHBondContact O-N 3.16Å; T216-A319 VanDerWaalsContact O-N 3.13Å; L217-A319 HydrophobicContact CD2-CB 4.13Å; L217-A319 WeakPolarHBondContact CD2-O 3.41Å; V307-A319 HydrophobicContact CG2-CB 4.29Å; E308-A319 CarbonylContact O-C 3.52Å; E308-A319 VanDerWaalsContact O-CA 3.23Å; E308-A319 WeakPolarHBondContact O-CA 3.41Å; I316-A319 HydrophobicContact CG2-CB 3.81Å; V317-A319 PolarHBondContact O-N 3.01Å; V317-A319 VanDerWaalsContact O-N 3.15Å
320R94.6Very high91.9Very high126 Ų12665.5 Ų65.548%0.47535%0.353SS..EExtended strand (participates in β ladder)trans-124.7124.9170.2-56.2-175.5-59.9-164.2-1.3108.3E308E308-R320 PolarHBondContact N-O 3.1Å; E308-R320 PolarHBondContact O-N 3.07Å; E308-R320 IonicContact OE2-CZ 2.89Å; E308-R320 IonicContact OE2-NE 3.83Å; E308-R320 PolarHBondContact OE2-NE 2.84Å; E308-R320 IonicContact OE2-NH2 3.69Å; E308-R320 PolarHBondContact OE2-NH2 2.9Å
321L96.5Very high92.3Very high0 Ų063.4 Ų63.40%034%0.342CS..EExtended strand (participates in β ladder)trans-103.9144.7173.6-54.1178.1000110.8I188 F204 V215 Y295 L296 R299 I301 V305 W306 V307I188-L321 HydrophobicContact CD1-CD1 4.48Å; F204-L321 HydrophobicContact CD2-CD1 3.65Å; F204-L321 HydrophobicContact CE2-CD1 3.83Å; F204-L321 HydrophobicContact CG-CD1 4.22Å; V215-L321 HydrophobicContact CG1-CD2 4.22Å; Y295-L321 HydrophobicContact CE1-CB 4Å; Y295-L321 HydrophobicContact CE1-CD1 4.23Å; Y295-L321 HydrophobicContact CE1-CG 4.19Å; Y295-L321 PolarHBondContact OH-N 3.2Å; Y295-L321 VanDerWaalsContact OH-N 3.14Å; L296-L321 HydrophobicContact CD2-CD1 4.13Å; R299-L321 PolarHBondContact NH1-O 3.16Å; I301-L321 HydrophobicContact CD1-CB 3.61Å; V305-L321 HydrophobicContact CB-CD2 4.45Å; V305-L321 HydrophobicContact CG1-CB 4.37Å; V305-L321 HydrophobicContact CG2-CD2 4.25Å; W306-L321 WeakPolarHBondContact O-CA 3.26Å; V307-L321 HydrophobicContact CB-CD2 3.52Å; V307-L321 HydrophobicContact CG2-CD2 3.58Å
322K94.5Very high92.7Very high95 Ų9563.7 Ų63.741%0.41334%0.34SS..EExtended strand (participates in β ladder)trans-135.2153171.4-63.3171.1-175.2159.30109.1V305 W306 E308V305-K322 CarbonylContact C-O 3.41Å; V305-K322 WeakPolarHBondContact CA-O 3.26Å; V305-K322 WeakPolarHBondContact CB-O 3.38Å; W306-K322 HydrophobicContact CB-CB 4.47Å; W306-K322 PolarHBondContact N-O 2.86Å; W306-K322 PolarHBondContact O-N 2.72Å; E308-K322 IonicContact OE1-NZ 3.22Å; E308-K322 PolarHBondContact OE1-NZ 2.9Å; E308-K322 IonicContact OE2-NZ 2.76Å
323P94.4Very high93.2Very high60 Ų6060.5 Ų60.539%0.3932%0.323SS..EExtended strand (participates in β ladder)trans-59.5140.5176.2-20.732000111.7R299 F300 I301R299-P323 VanDerWaalsContact O-CG 3.24Å; R299-P323 WeakPolarHBondContact O-CG 3.17Å; F300-P323 HydrophobicContact CB-CG 4.44Å; I301-P323 HydrophobicContact CG1-CG 3.79Å
324H92.5Very high93.6Very high24 Ų2453.3 Ų53.311%0.11129%0.285CS..  trans-103136.2166.5-163.4-60.1000109.1P304 W306 D326 Y327P304-H324 HydrophobicContact CB-CB 3.89Å; P304-H324 PolarHBondContact O-N 2.93Å; W306-H324 AromaticContact CD1-CD2 3.78Å; W306-H324 AromaticContact CD2-CD2 3.63Å; W306-H324 AromaticContact CE2-CD2 3.25Å; W306-H324 AromaticContact CE2-NE2 3.39Å; W306-H324 AromaticContact CG-CD2 3.98Å; W306-H324 AromaticContact CH2-NE2 3.76Å; W306-H324 AromaticContact CZ2-CD2 3.61Å; W306-H324 AromaticContact CZ2-NE2 3.2Å; W306-H324 WeakPolarHBondContact CZ2-NE2 3.32Å; W306-H324 AromaticContact NE1-CD2 3.35Å; W306-H324 PolarHBondContact NE1-CD2 3.16Å; W306-H324 VanDerWaalsContact NE1-CD2 3.35Å; W306-H324 AromaticContact NE1-CG 3.89Å; W306-H324 AromaticContact NE1-NE2 3.71Å; H324-D326 IonicContact CE1-OD1 3.07Å; H324-D326 PolarHBondContact CE1-OD1 3.43Å; H324-D326 PolarHBondContact ND1-N 3.15Å; H324-D326 IonicContact ND1-OD1 3.87Å; H324-D326 PolarHBondContact ND1-OD1 3.25Å; H324-Y327 WeakPolarHBondContact ND1-CB 3.48Å; H324-Y327 PolarHBondContact ND1-N 2.88Å; H324-Y327 VanDerWaalsContact ND1-N 3.18Å
325P83Confident94.2Very high105 Ų10550.7 Ų50.768%0.68226%0.258SS*.SBendtrans-64.9-42.2-175.121.2-33.2000114.3
326D85.4Confident94.5Very high111 Ų11150.2 Ų50.259%0.59425%0.253SS*.SBendtrans-139.4-10.1-163.3527.3000115.9H324 R328H324-D326 IonicContact CE1-OD1 3.07Å; H324-D326 PolarHBondContact CE1-OD1 3.43Å; H324-D326 PolarHBondContact ND1-N 3.15Å; H324-D326 IonicContact ND1-OD1 3.87Å; H324-D326 PolarHBondContact ND1-OD1 3.25Å; D326-R328 PolarHBondContact O-N 2.8Å; D326-R328 PolarHBondContact O-NH1 2.67Å
327Y92.2Very high94.8Very high20 Ų2050.7 Ų50.78%0.07826%0.256CS..  trans-54.3132.7-175.4-178.9-98.5000113.4A185 G186 F187 T208 D209 H324 P329A185-Y327 HydrophobicContact CB-CD1 4.4Å; A185-Y327 HydrophobicContact CB-CD2 3.44Å; A185-Y327 VanDerWaalsContact CB-CD2 3.44Å; A185-Y327 HydrophobicContact CB-CE2 3.76Å; A185-Y327 HydrophobicContact CB-CG 3.8Å; G186-Y327 VanDerWaalsContact C-CD1 3.47Å; G186-Y327 VanDerWaalsContact C-CE1 3.42Å; G186-Y327 VanDerWaalsContact CA-CE1 3.47Å; G186-Y327 WeakPolarHBondContact O-CD1 2.95Å; F187-Y327 HydrophobicContact CB-CD1 4.14Å; F187-Y327 HydrophobicContact CB-CE1 4Å; T208-Y327 WeakPolarHBondContact CA-OH 3.44Å; D209-Y327 PolarHBondContact N-OH 3.25Å; D209-Y327 PolarHBondContact OD1-OH 2.98Å; H324-Y327 WeakPolarHBondContact ND1-CB 3.48Å; H324-Y327 PolarHBondContact ND1-N 2.88Å; H324-Y327 VanDerWaalsContact ND1-N 3.18Å; Y327-P329 HydrophobicContact CE1-CB 3.94Å
328R93.8Very high95Very high73 Ų7348.9 Ų48.928%0.27525%0.245SC..  trans-131.7129.7171.6-63.2-62.8179-83.9-5.3108.3D326 E535D326-R328 PolarHBondContact O-N 2.8Å; D326-R328 PolarHBondContact O-NH1 2.67Å; R328-E535 IonicContact CZ-OE1 3.64Å; R328-E535 IonicContact CZ-OE2 2.99Å; R328-E535 IonicContact NE-OE1 3.62Å; R328-E535 PolarHBondContact NE-OE1 3.39Å; R328-E535 IonicContact NE-OE2 3.86Å; R328-E535 VanDerWaalsContact NH2-CD 3.29Å; R328-E535 IonicContact NH2-OE1 3.2Å; R328-E535 PolarHBondContact NH2-OE1 2.79Å; R328-E535 VanDerWaalsContact NH2-OE1 3.11Å; R328-E535 IonicContact NH2-OE2 2.78Å; R328-E535 PolarHBondContact NH2-OE2 3.08Å
329P96.9Very high95.2Very high14 Ų1445.1 Ų45.19%0.09122%0.224CC..  trans-81.3152-173.435.3-37.4000111.7F187 A207 Y327 L331F187-P329 HydrophobicContact CB-CB 4.06Å; F187-P329 HydrophobicContact CB-CG 3.58Å; F187-P329 HydrophobicContact CD1-CG 4.37Å; F187-P329 HydrophobicContact CD2-CG 4.42Å; F187-P329 HydrophobicContact CG-CG 3.89Å; A207-P329 HydrophobicContact CB-CB 3.47Å; A207-P329 VanDerWaalsContact CB-CB 3.47Å; A207-P329 HydrophobicContact CB-CG 3.89Å; Y327-P329 HydrophobicContact CE1-CB 3.94Å; P329-L331 HydrophobicContact CB-CD2 4.22Å; P329-L331 HydrophobicContact CG-CD1 4.37Å; P329-L331 HydrophobicContact CG-CD2 3.82Å; P329-L331 HydrophobicContact CG-CG 3.98Å
330P96.6Very high95.3Very high70 Ų7045.3 Ų45.346%0.45523%0.225SC..  trans-65.9141.6152.730.5-32.4000109.3D209D209-P330 WeakPolarHBondContact OD1-CD 3.41Å
331L98.3Very high95.3Very high34 Ų3440.2 Ų40.218%0.17821%0.208CC..  trans-132131.8-179-65.1174.7000110.5L189 A207 P329 D399 V400 M530 L534L189-L331 HydrophobicContact CD2-CD2 4.01Å; A207-L331 HydrophobicContact CB-CD2 3.61Å; P329-L331 HydrophobicContact CB-CD2 4.22Å; P329-L331 HydrophobicContact CG-CD1 4.37Å; P329-L331 HydrophobicContact CG-CD2 3.82Å; P329-L331 HydrophobicContact CG-CG 3.98Å; L331-D399 HydrophobicContact CB-CB 4.37Å; L331-D399 HydrophobicContact CD2-CB 3.81Å; L331-V400 HydrophobicContact CB-CG2 4.21Å; L331-V400 HydrophobicContact CD1-CG2 4.07Å; L331-M530 HydrophobicContact CD1-CE 3.81Å; L331-L534 HydrophobicContact CD1-CD1 4.04Å; L331-L534 HydrophobicContact CD1-CD2 4.18Å
332K98.4Very high94.8Very high126 Ų12647 Ų4755%0.54823%0.233SC..  trans-89130.3169.6-64.8179.6-177176.60110.2D399 V400K332-D399 PolarHBondContact N-OD2 2.95Å; K332-D399 WeakPolarHBondContact O-CA 3.46Å; K332-D399 WeakPolarHBondContact O-CB 3.35Å; K332-D399 PolarHBondContact O-N 3.5Å; K332-V400 PolarHBondContact O-N 3.39Å
333W98.5Very high94.6Very high44 Ų4450 Ų5017%0.16725%0.248CC..EExtended strand (participates in β ladder)trans-108.5155.5-179.9-51-14.4000110.6G353 C354 V400 I402 F524 H525 M530W333-G353 CarbonylContact O-C 3.59Å; W333-G353 VanDerWaalsContact O-CA 3.25Å; W333-G353 WeakPolarHBondContact O-CA 3.13Å; W333-C354 PolarHBondContact O-N 2.97Å; W333-C354 VanDerWaalsContact O-N 3.15Å; W333-V400 CarbonylContact C-O 3.47Å; W333-V400 WeakPolarHBondContact CA-O 3.2Å; W333-V400 HydrophobicContact CG-CB 4.22Å; W333-I402 HydrophobicContact CE3-CD1 4.21Å; W333-F524 HydrophobicContact CZ3-CB 4.13Å; W333-H525 AromaticContact CH2-CE1 3.68Å; W333-H525 AromaticContact CH2-ND1 3.91Å; W333-H525 AromaticContact CZ3-CE1 3.39Å; W333-H525 WeakPolarHBondContact CZ3-CE1 3.48Å; W333-H525 AromaticContact CZ3-ND1 3.81Å; W333-H525 AromaticContact CZ3-NE2 3.59Å; W333-M530 HydrophobicContact CH2-CB 3.96Å; W333-M530 HydrophobicContact CH2-CG 3.84Å; W333-M530 HydrophobicContact CZ2-CB 3.53Å; W333-M530 HydrophobicContact CZ2-CG 3.46Å; W333-M530 VanDerWaalsContact CZ2-CG 3.46Å
334V98.8Very high94.4Very high0 Ų047.5 Ų47.50%023%0.234CC..EExtended strand (participates in β ladder)trans-129122.4159.363.60000108.9L351 E352 W392 F393 P398 V400 I401 I402V334-L351 HydrophobicContact CG2-CB 4.17Å; V334-L351 HydrophobicContact CG2-CD2 3.94Å; V334-E352 CarbonylContact C-O 3.51Å; V334-E352 VanDerWaalsContact CA-O 3.32Å; V334-E352 WeakPolarHBondContact CA-O 3.3Å; V334-W392 HydrophobicContact CB-CH2 3.72Å; V334-W392 HydrophobicContact CB-CZ3 3.84Å; V334-W392 HydrophobicContact CG1-CZ3 4.26Å; V334-W392 HydrophobicContact CG2-CE3 4.5Å; V334-W392 HydrophobicContact CG2-CH2 3.41Å; V334-W392 VanDerWaalsContact CG2-CH2 3.41Å; V334-W392 HydrophobicContact CG2-CZ2 4.21Å; V334-W392 HydrophobicContact CG2-CZ3 3.57Å; V334-F393 HydrophobicContact CG1-CE1 4.12Å; V334-F393 HydrophobicContact CG1-CZ 3.75Å; V334-P398 HydrophobicContact CB-CB 4.03Å; V334-P398 HydrophobicContact CB-CG 4.23Å; V334-P398 HydrophobicContact CG1-CB 3.76Å; V334-P398 HydrophobicContact CG1-CG 3.64Å; V334-V400 PolarHBondContact N-O 2.79Å; V334-I401 HydrophobicContact CG1-CB 4.4Å; V334-I401 HydrophobicContact CG1-CG1 4.13Å; V334-I401 HydrophobicContact CG1-CG2 4.41Å; V334-I402 PolarHBondContact O-N 2.98Å
335S98.8Very high94.6Very high1 Ų148.4 Ų48.41%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-86116.9165.5-167.30000108.4L351 E352 I402 C517 T521S335-L351 WeakPolarHBondContact O-CA 3.22Å; S335-E352 PolarHBondContact N-O 3.1Å; S335-E352 PolarHBondContact O-N 2.74Å; S335-I402 WeakPolarHBondContact CA-O 3.49Å; S335-C517 WeakPolarHBondContact CB-O 3.46Å; S335-C517 WeakPolarHBondContact OG-CA 3.19Å; S335-C517 PolarHBondContact OG-O 3.15Å; S335-T521 VanDerWaalsContact CB-OG1 3.27Å; S335-T521 WeakPolarHBondContact CB-OG1 3.23Å
336I98.7Very high95.3Very high2 Ų243.4 Ų43.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-111.7133.7-179.5-175.4170000109.8I349 L351 L389 I401 I402 V406 L414I336-I349 HydrophobicContact CD1-CG2 4.21Å; I336-I349 HydrophobicContact CG1-CG2 4.19Å; I336-L351 HydrophobicContact CB-CD2 3.94Å; I336-L351 HydrophobicContact CD1-CD2 3.9Å; I336-L351 HydrophobicContact CG1-CD2 3.71Å; I336-L389 HydrophobicContact CD1-CD1 4.02Å; I336-L389 HydrophobicContact CD1-CD2 4.48Å; I336-I401 HydrophobicContact CG2-CG2 3.73Å; I336-I402 PolarHBondContact N-O 3.42Å; I336-V406 HydrophobicContact CG2-CG2 3.65Å; I336-L414 HydrophobicContact CD1-CD1 3.87Å
337D98.5Very high95.9Very high20 Ų2039.4 Ų39.411%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-137.9139.3171.9-179.182.8000109.9G350 N513 C517D337-G350 PolarHBondContact N-O 2.75Å; D337-G350 PolarHBondContact O-N 3.37Å; D337-N513 PolarHBondContact O-ND2 3.36Å; D337-N513 PolarHBondContact OD2-ND2 3.05Å; D337-C517 WeakPolarHBondContact CB-SG 3.31Å
338I98.3Very high96.2Very high1 Ų138.4 Ų38.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-114.4138.6172.669.6173.5000111.1T340 L346 I349 F409 D410 M413 L414I338-T340 HydrophobicContact CD1-CG2 3.86Å; I338-T340 HydrophobicContact CG1-CG2 4.1Å; I338-L346 HydrophobicContact CB-CD2 4.05Å; I338-L346 HydrophobicContact CD1-CD2 3.89Å; I338-L346 HydrophobicContact CG1-CD2 4.49Å; I338-L346 HydrophobicContact CG2-CD2 4.26Å; I338-I349 HydrophobicContact CG2-CG1 4.11Å; I338-I349 HydrophobicContact CG2-CG2 4.26Å; I338-F409 HydrophobicContact CD1-CE1 4.32Å; I338-F409 HydrophobicContact CG1-CD1 4.28Å; I338-F409 HydrophobicContact CG1-CE1 3.8Å; I338-F409 HydrophobicContact CG1-CZ 4.46Å; I338-D410 HydrophobicContact CG1-CB 4.34Å; I338-D410 PolarHBondContact N-OD1 3.48Å; I338-M413 HydrophobicContact CD1-CB 3.47Å; I338-M413 VanDerWaalsContact CD1-CB 3.47Å; I338-M413 HydrophobicContact CD1-CG 4.18Å; I338-L414 HydrophobicContact CG2-CD1 4.24Å; I338-L414 HydrophobicContact CG2-CD2 4.2Å; I338-L414 HydrophobicContact CG2-CG 4.23Å
339E97.1Very high96.4Very high16 Ų1635 Ų358%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-103.8137.2166-68.9-60.5159.800110.4Y347 C348 I498 L509 Y512 N513E339-Y347 PolarHBondContact O-N 3.47Å; E339-C348 PolarHBondContact N-O 2.99Å; E339-C348 VanDerWaalsContact N-O 3.11Å; E339-C348 PolarHBondContact O-N 3.23Å; E339-I498 WeakPolarHBondContact OE2-CD1 3.45Å; E339-L509 HydrophobicContact CB-CD1 4.42Å; E339-L509 HydrophobicContact CG-CD1 4.18Å; E339-Y512 WeakPolarHBondContact OE1-CE1 3.26Å; E339-N513 HydrophobicContact CG-CB 3.94Å
340T96Very high96.5Very high9 Ų934.3 Ų34.36%0.05516%0.161CC..EExtended strand (participates in β ladder)trans-136.9156.9-173.266.30000111.5I338 E345 L346I338-T340 HydrophobicContact CD1-CG2 3.86Å; I338-T340 HydrophobicContact CG1-CG2 4.1Å; T340-E345 CarbonylContact C-O 3.51Å; T340-E345 WeakPolarHBondContact CA-O 3.47Å; T340-E345 WeakPolarHBondContact CB-O 3.43Å; T340-L346 HydrophobicContact CG2-CD2 4.14Å
341T93.7Very high96.6Very high20 Ų2031 Ų3112%0.12314%0.14CC..  trans-57.9164.2163630000110.7H343 G344 E345 Y347T341-H343 PolarHBondContact O-N 3.12Å; T341-H343 PolarHBondContact OG1-N 2.83Å; T341-G344 WeakPolarHBondContact O-CA 3.34Å; T341-G344 PolarHBondContact O-N 2.67Å; T341-G344 PolarHBondContact OG1-N 3.27Å; T341-E345 HydrophobicContact CG2-CB 3.95Å; T341-E345 PolarHBondContact N-O 2.85Å; T341-E345 WeakPolarHBondContact OG1-CB 3.24Å; T341-E345 PolarHBondContact OG1-N 3.42Å; T341-Y347 HydrophobicContact CG2-CD1 4.5Å; T341-Y347 HydrophobicContact CG2-CD2 4.46Å; T341-Y347 HydrophobicContact CG2-CE1 3.82Å; T341-Y347 HydrophobicContact CG2-CE2 3.76Å; T341-Y347 VanDerWaalsContact CG2-CZ 3.43Å
342R87.3Confident96.6Very high142 Ų14231.2 Ų31.254%0.53614%0.14SC..THydrogen-bonded Turntrans-53.1-18.7168.269.3-172.167.6-154.8-6.7115.4M495 D496 D499R342-M495 HydrophobicContact CB-CG 4.02Å; R342-M495 HydrophobicContact CB-SD 4.03Å; R342-M495 PolarHBondContact N-SD 3.04Å; R342-D496 IonicContact CZ-OD1 3.49Å; R342-D496 IonicContact NH2-OD1 3.28Å; R342-D496 PolarHBondContact NH2-OD1 3.17Å; R342-D499 IonicContact CZ-OD2 2.74Å; R342-D499 IonicContact NE-OD2 2.9Å; R342-D499 PolarHBondContact NE-OD2 3.48Å; R342-D499 IonicContact NH2-OD2 2.68Å; R342-D499 PolarHBondContact NH2-OD2 3.47Å
343H88.7Confident96.6Very high157 Ų15725.7 Ų25.773%0.72712%0.119SC*.THydrogen-bonded Turntrans-99.40.4177.4-61-57.4000113.4T341T341-H343 PolarHBondContact O-N 3.12Å; T341-H343 PolarHBondContact OG1-N 2.83Å
344G91.6Very high96.6Very high9 Ų925.1 Ų25.19%0.09312%0.121CC..  trans91.10.6175.900000115.2T341 M413 H417T341-G344 WeakPolarHBondContact O-CA 3.34Å; T341-G344 PolarHBondContact O-N 2.67Å; T341-G344 PolarHBondContact OG1-N 3.27Å; G344-M413 VanDerWaalsContact CA-CE 3.4Å; G344-M413 WeakPolarHBondContact O-CE 3.28Å; G344-H417 PolarHBondContact O-CE1 2.79Å; G344-H417 PolarHBondContact O-NE2 2.7Å
345E96.1Very high96.5Very high42 Ų4228.9 Ų28.920%0.19616%0.16CC..  trans-65.4132.4174.3-56.9-65.7113.800111.3T340 T341 R420T340-E345 CarbonylContact C-O 3.51Å; T340-E345 WeakPolarHBondContact CA-O 3.47Å; T340-E345 WeakPolarHBondContact CB-O 3.43Å; T341-E345 HydrophobicContact CG2-CB 3.95Å; T341-E345 PolarHBondContact N-O 2.85Å; T341-E345 WeakPolarHBondContact OG1-CB 3.24Å; T341-E345 PolarHBondContact OG1-N 3.42Å; E345-R420 IonicContact OE1-CZ 3.81Å; E345-R420 VanDerWaalsContact OE1-CZ 3.22Å; E345-R420 IonicContact OE1-NH1 3.97Å; E345-R420 PolarHBondContact OE1-NH1 3.02Å; E345-R420 IonicContact OE1-NH2 2.73Å; E345-R420 PolarHBondContact OE1-NH2 3.23Å; E345-R420 IonicContact OE2-NH1 3.93Å; E345-R420 PolarHBondContact OE2-NH1 2.87Å
346L97.9Very high96.4Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-61.4135.5-179-65.5168.4000113.1I338 T340 R382 L385 L386 L414 H417I338-L346 HydrophobicContact CB-CD2 4.05Å; I338-L346 HydrophobicContact CD1-CD2 3.89Å; I338-L346 HydrophobicContact CG1-CD2 4.49Å; I338-L346 HydrophobicContact CG2-CD2 4.26Å; T340-L346 HydrophobicContact CG2-CD2 4.14Å; L346-R382 PolarHBondContact O-NE 3.48Å; L346-L385 HydrophobicContact CB-CD1 3.78Å; L346-L385 HydrophobicContact CD1-CD1 4.4Å; L346-L386 HydrophobicContact CD1-CD2 4.2Å; L346-L414 HydrophobicContact CD1-CD2 4.15Å; L346-L414 HydrophobicContact CD2-CD2 4.25Å; L346-H417 HydrophobicContact CD1-CB 4.21Å; L346-H417 PolarHBondContact N-NE2 3.14Å
347Y98.3Very high96.4Very high27 Ų2734.1 Ų34.111%0.10618%0.181CC..EExtended strand (participates in β ladder)trans-102.7-51.3163.9-76.2-44000111.6E339 T341 L362 I498 D499 F502E339-Y347 PolarHBondContact O-N 3.47Å; T341-Y347 HydrophobicContact CG2-CD1 4.5Å; T341-Y347 HydrophobicContact CG2-CD2 4.46Å; T341-Y347 HydrophobicContact CG2-CE1 3.82Å; T341-Y347 HydrophobicContact CG2-CE2 3.76Å; T341-Y347 VanDerWaalsContact CG2-CZ 3.43Å; Y347-L362 VanDerWaalsContact O-CB 3.25Å; Y347-L362 WeakPolarHBondContact O-CB 3.26Å; Y347-L362 PolarHBondContact O-N 3.26Å; Y347-I498 HydrophobicContact CD2-CG2 4.14Å; Y347-I498 HydrophobicContact CE2-CG2 4.29Å; Y347-D499 PolarHBondContact OH-OD1 3.08Å; Y347-F502 HydrophobicContact CD1-CB 4.17Å; Y347-F502 AromaticContact CD1-CD1 3.48Å; Y347-F502 HydrophobicContact CD1-CD1 3.48Å; Y347-F502 VanDerWaalsContact CD1-CD1 3.48Å; Y347-F502 AromaticContact CD1-CD2 3.27Å; Y347-F502 HydrophobicContact CD1-CD2 3.27Å; Y347-F502 AromaticContact CD1-CE1 3.56Å; Y347-F502 HydrophobicContact CD1-CE1 3.56Å; Y347-F502 AromaticContact CD1-CE2 3.37Å; Y347-F502 HydrophobicContact CD1-CE2 3.37Å; Y347-F502 AromaticContact CD1-CG 3.32Å; Y347-F502 HydrophobicContact CD1-CG 3.32Å; Y347-F502 AromaticContact CD1-CZ 3.51Å; Y347-F502 HydrophobicContact CD1-CZ 3.51Å; Y347-F502 HydrophobicContact CD2-CB 4.26Å; Y347-F502 HydrophobicContact CD2-CD2 4.38Å; Y347-F502 HydrophobicContact CD2-CG 4.25Å; Y347-F502 HydrophobicContact CE1-CB 4.06Å; Y347-F502 AromaticContact CE1-CD1 3.11Å; Y347-F502 HydrophobicContact CE1-CD1 3.11Å; Y347-F502 AromaticContact CE1-CD2 3.85Å; Y347-F502 HydrophobicContact CE1-CD2 3.85Å; Y347-F502 AromaticContact CE1-CE1 3.38Å; Y347-F502 HydrophobicContact CE1-CE1 3.38Å; Y347-F502 HydrophobicContact CE1-CE2 4.08Å; Y347-F502 AromaticContact CE1-CG 3.37Å; Y347-F502 HydrophobicContact CE1-CG 3.37Å; Y347-F502 AromaticContact CE1-CZ 3.87Å; Y347-F502 HydrophobicContact CE1-CZ 3.87Å; Y347-F502 HydrophobicContact CE2-CB 4.16Å; Y347-F502 HydrophobicContact CE2-CG 4.29Å; Y347-F502 HydrophobicContact CG-CB 4.26Å; Y347-F502 HydrophobicContact CG-CD1 4.36Å; Y347-F502 AromaticContact CG-CD2 3.57Å; Y347-F502 HydrophobicContact CG-CD2 3.57Å; Y347-F502 AromaticContact CG-CE2 3.98Å; Y347-F502 HydrophobicContact CG-CE2 3.98Å; Y347-F502 AromaticContact CG-CG 3.78Å; Y347-F502 HydrophobicContact CG-CG 3.78Å; Y347-F502 AromaticContact CZ-CD1 3.76Å; Y347-F502 AromaticContact CZ-CG 3.84Å
348C98.4Very high96.4Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-152.1167.2177.4590000112.7E339 V359 Y360 M361 N513E339-C348 PolarHBondContact N-O 2.99Å; E339-C348 VanDerWaalsContact N-O 3.11Å; E339-C348 PolarHBondContact O-N 3.23Å; C348-V359 HydrophobicContact CB-CG1 3.83Å; C348-Y360 CarbonylContact C-O 3.4Å; C348-Y360 WeakPolarHBondContact CA-O 3.32Å; C348-Y360 WeakPolarHBondContact CB-O 3.38Å; C348-M361 HydrophobicContact CB-CB 4.39Å; C348-M361 HydrophobicContact CB-CE 3.55Å; C348-M361 HydrophobicContact CB-SD 3.68Å; C348-N513 PolarHBondContact SG-ND2 2.88Å; C348-N513 VanDerWaalsContact SG-ND2 3.41Å
349I98.8Very high96.5Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-130.1117.7174.6-53.6175.3000107.3I336 I338 L351 V359 Y360 L385 L389 L414I336-I349 HydrophobicContact CD1-CG2 4.21Å; I336-I349 HydrophobicContact CG1-CG2 4.19Å; I338-I349 HydrophobicContact CG2-CG1 4.11Å; I338-I349 HydrophobicContact CG2-CG2 4.26Å; I349-L351 HydrophobicContact CG2-CD2 4.21Å; I349-L351 HydrophobicContact CG2-CG 4.33Å; I349-V359 WeakPolarHBondContact O-CA 3.45Å; I349-Y360 PolarHBondContact N-O 3.16Å; I349-Y360 PolarHBondContact O-N 3.34Å; I349-L385 HydrophobicContact CD1-CB 3.93Å; I349-L389 HydrophobicContact CD1-CB 4.33Å; I349-L389 HydrophobicContact CD1-CD2 4.27Å; I349-L389 HydrophobicContact CG2-CD1 4.24Å; I349-L414 HydrophobicContact CD1-CD2 3.78Å; I349-L414 HydrophobicContact CG1-CD2 4.48Å
350G98.6Very high96.5Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-94.2141.6171.300000111.5D337 N513 C517D337-G350 PolarHBondContact N-O 2.75Å; D337-G350 PolarHBondContact O-N 3.37Å; G350-N513 WeakPolarHBondContact CA-OD1 3.3Å; G350-N513 PolarHBondContact N-OD1 2.79Å; G350-N513 VanDerWaalsContact N-OD1 3.13Å; G350-C517 PolarHBondContact O-SG 3.14Å
351L98.8Very high96.7Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-135.3119178.4-58.4171.2000108.4V334 S335 I336 I349 I358 Y360 L389 W392V334-L351 HydrophobicContact CG2-CB 4.17Å; V334-L351 HydrophobicContact CG2-CD2 3.94Å; S335-L351 WeakPolarHBondContact O-CA 3.22Å; I336-L351 HydrophobicContact CB-CD2 3.94Å; I336-L351 HydrophobicContact CD1-CD2 3.9Å; I336-L351 HydrophobicContact CG1-CD2 3.71Å; I349-L351 HydrophobicContact CG2-CD2 4.21Å; I349-L351 HydrophobicContact CG2-CG 4.33Å; L351-I358 HydrophobicContact CB-CG2 3.94Å; L351-I358 HydrophobicContact CD1-CG2 4.47Å; L351-I358 PolarHBondContact N-O 2.94Å; L351-I358 PolarHBondContact O-N 3.03Å; L351-Y360 HydrophobicContact CD1-CD2 4.24Å; L351-Y360 HydrophobicContact CD1-CE2 3.84Å; L351-L389 HydrophobicContact CD1-CD1 3.92Å; L351-L389 HydrophobicContact CD2-CD1 3.91Å; L351-L389 HydrophobicContact CG-CD1 4.48Å; L351-W392 HydrophobicContact CB-CZ2 4.35Å; L351-W392 HydrophobicContact CD1-CB 4.01Å; L351-W392 HydrophobicContact CD1-CD2 3.62Å; L351-W392 HydrophobicContact CD1-CE3 4.06Å; L351-W392 HydrophobicContact CD1-CG 3.56Å
352E98.7Very high96.9Very high39 Ų3932.7 Ų32.718%0.18217%0.172CC..EExtended strand (participates in β ladder)trans-120.9126.8174.1-174.7-85.116300108.9V334 S335 R357 L514 C517 E518 T521V334-E352 CarbonylContact C-O 3.51Å; V334-E352 VanDerWaalsContact CA-O 3.32Å; V334-E352 WeakPolarHBondContact CA-O 3.3Å; S335-E352 PolarHBondContact N-O 3.1Å; S335-E352 PolarHBondContact O-N 2.74Å; E352-R357 HydrophobicContact CG-CG 4.23Å; E352-L514 HydrophobicContact CB-CD1 4.08Å; E352-C517 HydrophobicContact CB-CB 3.69Å; E352-E518 HydrophobicContact CG-CG 4.1Å; E352-T521 VanDerWaalsContact OE2-CB 3.28Å; E352-T521 WeakPolarHBondContact OE2-CB 3.32Å; E352-T521 WeakPolarHBondContact OE2-CG2 3.49Å; E352-T521 PolarHBondContact OE2-OG1 2.9Å
353G97.7Very high97.3Very high10 Ų1026.7 Ų26.710%0.10315%0.154CC..EExtended strand (participates in β ladder)trans135.6175.9-179.800000113.8W333 G355 Q356W333-G353 CarbonylContact O-C 3.59Å; W333-G353 VanDerWaalsContact O-CA 3.25Å; W333-G353 WeakPolarHBondContact O-CA 3.13Å; G353-G355 PolarHBondContact O-N 3.43Å; G353-G355 VanDerWaalsContact O-N 3.08Å; G353-Q356 PolarHBondContact N-O 2.85Å; G353-Q356 WeakPolarHBondContact O-CA 3.39Å; G353-Q356 WeakPolarHBondContact O-CB 3.15Å; G353-Q356 PolarHBondContact O-N 3.28Å
354C97.4Very high97.7Very high32 Ų3224.5 Ų24.522%0.21615%0.154CC..THydrogen-bonded Turntrans50.828.7-169.7-62.80000114.1W333 Q356 W392 Y396W333-C354 PolarHBondContact O-N 2.97Å; W333-C354 VanDerWaalsContact O-N 3.15Å; C354-Q356 VanDerWaalsContact C-N 3.31Å; C354-W392 HydrophobicContact CB-CH2 4.2Å; C354-W392 HydrophobicContact CB-CZ2 4.44Å; C354-Y396 PolarHBondContact SG-O 3.31Å; C354-Y396 VanDerWaalsContact SG-O 3.41Å
355G96.6Very high97.9Very high79 Ų7931.1 Ų31.181%0.81418%0.183SC*.THydrogen-bonded Turntrans76.612.2-174.700000114.7G353G353-G355 PolarHBondContact O-N 3.43Å; G353-G355 VanDerWaalsContact O-N 3.08Å
356Q98.2Very high98Very high40 Ų4031.1 Ų31.119%0.18718%0.184CC..EExtended strand (participates in β ladder)trans-114.3149.9-179-48.8-59.8-74.800111.1G353 C354 W392 Y396G353-Q356 PolarHBondContact N-O 2.85Å; G353-Q356 WeakPolarHBondContact O-CA 3.39Å; G353-Q356 WeakPolarHBondContact O-CB 3.15Å; G353-Q356 PolarHBondContact O-N 3.28Å; C354-Q356 VanDerWaalsContact C-N 3.31Å; Q356-W392 HydrophobicContact CB-CZ2 4.1Å; Q356-W392 HydrophobicContact CG-CZ2 4.19Å; Q356-Y396 VanDerWaalsContact CD-CZ 3.45Å; Q356-Y396 HydrophobicContact CG-CD1 3.54Å; Q356-Y396 HydrophobicContact CG-CD2 4.32Å; Q356-Y396 HydrophobicContact CG-CE1 3.27Å; Q356-Y396 HydrophobicContact CG-CE2 4.11Å; Q356-Y396 HydrophobicContact CG-CG 4.06Å; Q356-Y396 VanDerWaalsContact OE1-CE1 3.26Å; Q356-Y396 PolarHBondContact OE1-OH 3.1Å
357R98.6Very high97.8Very high74 Ų7433.7 Ų33.728%0.27921%0.21SC..EExtended strand (participates in β ladder)trans-136.799.7170.6-73.1173.370.3-138.99.1107E352 D373 F374 E375 L514 E518E352-R357 HydrophobicContact CG-CG 4.23Å; R357-D373 IonicContact CZ-OD2 3.95Å; R357-D373 VanDerWaalsContact CZ-OD2 3.29Å; R357-D373 VanDerWaalsContact NH1-CG 3.34Å; R357-D373 PolarHBondContact NH1-O 3.44Å; R357-D373 IonicContact NH1-OD1 3.99Å; R357-D373 IonicContact NH1-OD2 2.95Å; R357-D373 PolarHBondContact NH1-OD2 3.46Å; R357-D373 IonicContact NH2-OD1 3.53Å; R357-D373 IonicContact NH2-OD2 3.14Å; R357-D373 PolarHBondContact NH2-OD2 2.88Å; R357-F374 HydrophobicContact CB-CB 3.87Å; R357-F374 WeakPolarHBondContact O-CB 3.46Å; R357-E375 PolarHBondContact O-N 3.2Å; R357-L514 HydrophobicContact CB-CD1 4.4Å; R357-L514 HydrophobicContact CB-CD2 4.05Å; R357-E518 IonicContact CZ-OE1 3.58Å; R357-E518 IonicContact NE-OE1 2.69Å; R357-E518 PolarHBondContact NE-OE1 3.48Å; R357-E518 IonicContact NH2-OE1 2.72Å; R357-E518 PolarHBondContact NH2-OE1 3.01Å
358I98.7Very high97.7Very high5 Ų537.4 Ų37.43%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-139.3143.9-172.3-172.6165.3000112.1L351 Y360 E375L351-I358 HydrophobicContact CB-CG2 3.94Å; L351-I358 HydrophobicContact CD1-CG2 4.47Å; L351-I358 PolarHBondContact N-O 2.94Å; L351-I358 PolarHBondContact O-N 3.03Å; I358-Y360 HydrophobicContact CD1-CD1 4.38Å; I358-Y360 HydrophobicContact CD1-CE1 3.64Å; I358-Y360 HydrophobicContact CG1-CE1 4.29Å; I358-E375 CarbonylContact C-O 3.43Å; I358-E375 VanDerWaalsContact CA-O 3.26Å; I358-E375 WeakPolarHBondContact CA-O 3.5Å; I358-E375 HydrophobicContact CB-CB 4.05Å; I358-E375 HydrophobicContact CD1-CB 4.11Å; I358-E375 HydrophobicContact CG1-CB 3.82Å
359V98.8Very high97.5Very high0 Ų039.5 Ų39.50%025%0.249CC..EExtended strand (participates in β ladder)trans-123.2121.5170-178.60000109.7C348 I349 M361 F374 E375 L376 E377 A510 L514C348-V359 HydrophobicContact CB-CG1 3.83Å; I349-V359 WeakPolarHBondContact O-CA 3.45Å; V359-M361 HydrophobicContact CG1-CE 4.24Å; V359-F374 HydrophobicContact CB-CE2 4.34Å; V359-F374 HydrophobicContact CG2-CD2 4.21Å; V359-F374 HydrophobicContact CG2-CE2 3.84Å; V359-E375 PolarHBondContact N-O 2.92Å; V359-L376 HydrophobicContact CB-CD1 4.15Å; V359-L376 HydrophobicContact CG1-CD1 4.27Å; V359-E377 PolarHBondContact O-N 3.07Å; V359-A510 HydrophobicContact CB-CB 4.02Å; V359-A510 HydrophobicContact CG1-CB 3.86Å; V359-A510 HydrophobicContact CG2-CB 4.12Å; V359-L514 HydrophobicContact CG2-CB 3.92Å
360Y98.8Very high97.3Very high13 Ų1344.3 Ų44.35%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-87.6118.1168.2-63.7-59.5000109.6C348 I349 L351 I358 E377 L385 K388 W392C348-Y360 CarbonylContact C-O 3.4Å; C348-Y360 WeakPolarHBondContact CA-O 3.32Å; C348-Y360 WeakPolarHBondContact CB-O 3.38Å; I349-Y360 PolarHBondContact N-O 3.16Å; I349-Y360 PolarHBondContact O-N 3.34Å; L351-Y360 HydrophobicContact CD1-CD2 4.24Å; L351-Y360 HydrophobicContact CD1-CE2 3.84Å; I358-Y360 HydrophobicContact CD1-CD1 4.38Å; I358-Y360 HydrophobicContact CD1-CE1 3.64Å; I358-Y360 HydrophobicContact CG1-CE1 4.29Å; Y360-E377 CarbonylContact C-O 3.5Å; Y360-E377 WeakPolarHBondContact CA-O 3.31Å; Y360-E377 HydrophobicContact CD1-CB 3.9Å; Y360-E377 HydrophobicContact CD1-CG 4.33Å; Y360-E377 HydrophobicContact CE1-CB 4.11Å; Y360-E377 HydrophobicContact CE1-CG 4.43Å; Y360-E377 WeakPolarHBondContact CE1-OE2 3.37Å; Y360-L385 WeakPolarHBondContact O-CD2 3.43Å; Y360-K388 HydrophobicContact CD1-CB 3.71Å; Y360-K388 HydrophobicContact CD1-CD 4.26Å; Y360-K388 HydrophobicContact CD1-CG 4Å; Y360-K388 HydrophobicContact CD2-CB 3.9Å; Y360-K388 HydrophobicContact CE1-CB 3.72Å; Y360-K388 HydrophobicContact CE1-CD 3.86Å; Y360-K388 HydrophobicContact CE1-CG 4.04Å; Y360-K388 HydrophobicContact CE2-CB 3.87Å; Y360-K388 HydrophobicContact CG-CB 3.81Å; Y360-K388 HydrophobicContact CG-CG 4.5Å; Y360-W392 HydrophobicContact CE2-CB 4.17Å; Y360-W392 HydrophobicContact CE2-CG 4.48Å
361M98.7Very high97.1Very high0 Ų048.7 Ų48.70%032%0.319CS..EExtended strand (participates in β ladder)trans-117.9137.1-170.9-17965.566.900111.9C348 V359 G363 L376 E377 Y378 V379 F502 K506 L509 A510C348-M361 HydrophobicContact CB-CB 4.39Å; C348-M361 HydrophobicContact CB-CE 3.55Å; C348-M361 HydrophobicContact CB-SD 3.68Å; V359-M361 HydrophobicContact CG1-CE 4.24Å; M361-G363 PolarHBondContact O-N 2.94Å; M361-L376 HydrophobicContact CB-CD1 3.67Å; M361-L376 HydrophobicContact CG-CD1 4.4Å; M361-E377 PolarHBondContact N-O 3.41Å; M361-Y378 HydrophobicContact CB-CD1 3.89Å; M361-Y378 HydrophobicContact CB-CE1 4.01Å; M361-Y378 HydrophobicContact CG-CD1 3.76Å; M361-Y378 HydrophobicContact CG-CE1 3.5Å; M361-Y378 CarbonylContact O-C 3.46Å; M361-Y378 VanDerWaalsContact O-CA 3.29Å; M361-Y378 WeakPolarHBondContact O-CA 3.45Å; M361-V379 PolarHBondContact O-N 3.46Å; M361-F502 HydrophobicContact SD-CD2 4.01Å; M361-F502 HydrophobicContact SD-CE2 3.95Å; M361-K506 HydrophobicContact CE-CB 4.22Å; M361-K506 HydrophobicContact CG-CB 4.02Å; M361-K506 HydrophobicContact CG-CD 3.91Å; M361-K506 HydrophobicContact CG-CG 4.19Å; M361-K506 HydrophobicContact SD-CB 4.08Å; M361-K506 HydrophobicContact SD-CD 4.17Å; M361-K506 HydrophobicContact SD-CG 3.98Å; M361-L509 HydrophobicContact CE-CB 4.14Å; M361-L509 HydrophobicContact CE-CD2 4.07Å; M361-L509 HydrophobicContact CE-CG 4.1Å; M361-L509 HydrophobicContact SD-CD2 4.28Å; M361-A510 HydrophobicContact CE-CB 3.9Å
362L98.6Very high96.9Very high17 Ų1750.7 Ų50.79%0.08933%0.329CS..EExtended strand (participates in β ladder)trans-68.5124.6172.5179.865.5000110.4Y347 R382 F502 K506Y347-L362 VanDerWaalsContact O-CB 3.25Å; Y347-L362 WeakPolarHBondContact O-CB 3.26Å; Y347-L362 PolarHBondContact O-N 3.26Å; L362-R382 HydrophobicContact CD1-CG 4.18Å; L362-R382 HydrophobicContact CD2-CG 3.91Å; L362-F502 HydrophobicContact CB-CE2 3.96Å; L362-F502 HydrophobicContact CB-CZ 3.95Å; L362-F502 HydrophobicContact CD2-CZ 3.9Å; L362-F502 HydrophobicContact CG-CZ 4.06Å; L362-K506 WeakPolarHBondContact O-CE 3.38Å; L362-K506 PolarHBondContact O-NZ 3.33Å
363G96.6Very high96.8Very high16 Ų1654.1 Ų54.117%0.16535%0.349CS..SBendtrans-72.9-177.5179.500000114.8M361 V379 K506M361-G363 PolarHBondContact O-N 2.94Å; G363-V379 PolarHBondContact N-O 3.28Å; G363-K506 VanDerWaalsContact C-NZ 3.26Å; G363-K506 PolarHBondContact O-NZ 3.3Å
364P96.5Very high96.8Very high112 Ų11254.6 Ų54.673%0.72735%0.349SS*.SBendcis-71.8171.9-6.433.1-36.6000112.1K506P364-K506 PolarHBondContact O-NZ 2.86Å
365E96.4Very high96.9Very high148 Ų14858 Ų5869%0.69236%0.361SS*.  trans-65.4145.3177-45.6-171.8163.800111.4Y378E365-Y378 HydrophobicContact CB-CD2 4.32Å; E365-Y378 HydrophobicContact CB-CE1 4.39Å; E365-Y378 HydrophobicContact CB-CE2 4.02Å; E365-Y378 HydrophobicContact CG-CD1 4.2Å; E365-Y378 HydrophobicContact CG-CD2 3.51Å; E365-Y378 HydrophobicContact CG-CE1 4.35Å; E365-Y378 HydrophobicContact CG-CE2 3.7Å; E365-Y378 HydrophobicContact CG-CG 3.76Å
366N96.8Very high97Very high41 Ų4155.9 Ų55.922%0.21933%0.331CS..  trans-153.6170.4169.765.85.8000108.5Y378 F502 A503 K506 P507N366-Y378 PolarHBondContact O-OH 3.32Å; N366-F502 PolarHBondContact ND2-O 3.48Å; N366-A503 VanDerWaalsContact ND2-C 3.32Å; N366-A503 PolarHBondContact ND2-O 2.92Å; N366-K506 WeakPolarHBondContact OD1-CB 3.42Å; N366-K506 VanDerWaalsContact OD1-CD 3.32Å; N366-K506 WeakPolarHBondContact OD1-CD 3.42Å; N366-K506 WeakPolarHBondContact OD1-CG 3.33Å; N366-K506 PolarHBondContact OD1-N 2.81Å; N366-P507 WeakPolarHBondContact O-CD 3.38Å
367G94.8Very high97Very high54 Ų5457 Ų5756%0.55734%0.336SS*.SBendtrans69.3-169.1-174.800000113.5
368D94.7Very high97Very high106 Ų10655.4 Ų55.457%0.56733%0.33SS*.  trans-115.1112.3176.7179.114.8000110.5S370 P507D368-S370 VanDerWaalsContact CG-OG 3.27Å; D368-S370 WeakPolarHBondContact OD1-CB 3.32Å; D368-S370 PolarHBondContact OD1-N 3.48Å; D368-S370 PolarHBondContact OD1-OG 2.97Å; D368-S370 PolarHBondContact OD2-OG 3.32Å; D368-P507 WeakPolarHBondContact O-CB 3.37Å
369A95.3Very high96.9Very high44 Ų4455.6 Ų55.636%0.36433%0.332SS..  trans-92.7-2178.800000113.3A371 L372 L376 P507A369-A371 PolarHBondContact O-N 3.35Å; A369-L372 HydrophobicContact CB-CD1 3.91Å; A369-L372 HydrophobicContact CB-CG 4.44Å; A369-L372 WeakPolarHBondContact O-CG 3.32Å; A369-L372 PolarHBondContact O-N 3.08Å; A369-L376 HydrophobicContact CB-CD2 4.12Å; A369-P507 HydrophobicContact CB-CG 4.05Å
370S93.4Very high96.9Very high101 Ų10159.8 Ų59.871%0.70637%0.367SS*.THydrogen-bonded Turntrans-67.7-23-171.566.80000114.2D368D368-S370 VanDerWaalsContact CG-OG 3.27Å; D368-S370 WeakPolarHBondContact OD1-CB 3.32Å; D368-S370 PolarHBondContact OD1-N 3.48Å; D368-S370 PolarHBondContact OD1-OG 2.97Å; D368-S370 PolarHBondContact OD2-OG 3.32Å
371A94.1Very high96.9Very high92 Ų9261.2 Ų61.276%0.7638%0.379SS*.THydrogen-bonded Turntrans-94.21.4-179.600000114.1A369A369-A371 PolarHBondContact O-N 3.35Å
372L96Very high96.8Very high41 Ų4164.4 Ų64.422%0.21539%0.391CS..  trans-71.5137.6-179-60.1-179.1000110.9A369 F374 L376 P507A369-L372 HydrophobicContact CB-CD1 3.91Å; A369-L372 HydrophobicContact CB-CG 4.44Å; A369-L372 WeakPolarHBondContact O-CG 3.32Å; A369-L372 PolarHBondContact O-N 3.08Å; L372-F374 VanDerWaalsContact C-N 3.32Å; L372-F374 HydrophobicContact CB-CD1 4.46Å; L372-F374 HydrophobicContact CB-CE1 4.32Å; L372-F374 HydrophobicContact CB-CZ 4.45Å; L372-F374 HydrophobicContact CD1-CE2 4.09Å; L372-F374 HydrophobicContact CD1-CZ 3.98Å; L372-F374 HydrophobicContact CD2-CE1 3.84Å; L372-F374 HydrophobicContact CD2-CZ 3.79Å; L372-F374 HydrophobicContact CG-CE1 4.48Å; L372-F374 HydrophobicContact CG-CZ 4.29Å; L372-L376 HydrophobicContact CD1-CB 3.77Å; L372-L376 HydrophobicContact CD1-CD2 3.59Å; L372-L376 HydrophobicContact CD1-CG 4.32Å; L372-P507 HydrophobicContact CD1-CB 4.18Å; L372-P507 HydrophobicContact CD2-CB 4.24Å
373D96.8Very high96.8Very high112 Ų11265.5 Ų65.560%0.59940%0.398SS*.SBendtrans-96.113.9176.770.5-39.6000112.6R357R357-D373 IonicContact CZ-OD2 3.95Å; R357-D373 VanDerWaalsContact CZ-OD2 3.29Å; R357-D373 VanDerWaalsContact NH1-CG 3.34Å; R357-D373 PolarHBondContact NH1-O 3.44Å; R357-D373 IonicContact NH1-OD1 3.99Å; R357-D373 IonicContact NH1-OD2 2.95Å; R357-D373 PolarHBondContact NH1-OD2 3.46Å; R357-D373 IonicContact NH2-OD1 3.53Å; R357-D373 IonicContact NH2-OD2 3.14Å; R357-D373 PolarHBondContact NH2-OD2 2.88Å
374F98.1Very high96.9Very high20 Ų2067.9 Ų67.99%0.08841%0.405CS..SBendtrans-142.5165.7-178.963.6-96.8000110.9R357 V359 L372 A510 L514R357-F374 HydrophobicContact CB-CB 3.87Å; R357-F374 WeakPolarHBondContact O-CB 3.46Å; V359-F374 HydrophobicContact CB-CE2 4.34Å; V359-F374 HydrophobicContact CG2-CD2 4.21Å; V359-F374 HydrophobicContact CG2-CE2 3.84Å; L372-F374 VanDerWaalsContact C-N 3.32Å; L372-F374 HydrophobicContact CB-CD1 4.46Å; L372-F374 HydrophobicContact CB-CE1 4.32Å; L372-F374 HydrophobicContact CB-CZ 4.45Å; L372-F374 HydrophobicContact CD1-CE2 4.09Å; L372-F374 HydrophobicContact CD1-CZ 3.98Å; L372-F374 HydrophobicContact CD2-CE1 3.84Å; L372-F374 HydrophobicContact CD2-CZ 3.79Å; L372-F374 HydrophobicContact CG-CE1 4.48Å; L372-F374 HydrophobicContact CG-CZ 4.29Å; F374-A510 HydrophobicContact CE2-CB 3.84Å; F374-A510 HydrophobicContact CZ-CB 3.89Å; F374-L514 HydrophobicContact CB-CD2 3.39Å; F374-L514 HydrophobicContact CD1-CD2 3.4Å; F374-L514 VanDerWaalsContact CD1-CD2 3.4Å; F374-L514 HydrophobicContact CD2-CD2 3.73Å; F374-L514 HydrophobicContact CE1-CD2 4.06Å; F374-L514 HydrophobicContact CE2-CD2 4.35Å; F374-L514 HydrophobicContact CG-CD2 3.22Å
375E97.9Very high97Very high104 Ų10462.5 Ų62.549%0.48637%0.371SS..EExtended strand (participates in β ladder)trans-78.7123.6-178.1-66.3178.3-124.800111.1R357 I358 V359R357-E375 PolarHBondContact O-N 3.2Å; I358-E375 CarbonylContact C-O 3.43Å; I358-E375 VanDerWaalsContact CA-O 3.26Å; I358-E375 WeakPolarHBondContact CA-O 3.5Å; I358-E375 HydrophobicContact CB-CB 4.05Å; I358-E375 HydrophobicContact CD1-CB 4.11Å; I358-E375 HydrophobicContact CG1-CB 3.82Å; V359-E375 PolarHBondContact N-O 2.92Å
376L98.4Very high97.1Very high34 Ų3455.5 Ų55.518%0.17834%0.338CS..EExtended strand (participates in β ladder)trans-112.6113.3171.6177.458.2000108.9V359 M361 A369 L372 Y378 P507 A510V359-L376 HydrophobicContact CB-CD1 4.15Å; V359-L376 HydrophobicContact CG1-CD1 4.27Å; M361-L376 HydrophobicContact CB-CD1 3.67Å; M361-L376 HydrophobicContact CG-CD1 4.4Å; A369-L376 HydrophobicContact CB-CD2 4.12Å; L372-L376 HydrophobicContact CD1-CB 3.77Å; L372-L376 HydrophobicContact CD1-CD2 3.59Å; L372-L376 HydrophobicContact CD1-CG 4.32Å; L376-Y378 HydrophobicContact CD2-CE2 3.8Å; L376-Y378 HydrophobicContact CG-CD2 4.41Å; L376-Y378 HydrophobicContact CG-CE2 3.87Å; L376-P507 HydrophobicContact CD2-CG 4.24Å; L376-A510 HydrophobicContact CD1-CB 3.73Å; L376-A510 HydrophobicContact CD2-CB 4.36Å
377E98.3Very high97.2Very high63 Ų6358.4 Ų58.429%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-116.3119.2-179.4-173.3-179.5157.800111.2V359 Y360 M361 K388V359-E377 PolarHBondContact O-N 3.07Å; Y360-E377 CarbonylContact C-O 3.5Å; Y360-E377 WeakPolarHBondContact CA-O 3.31Å; Y360-E377 HydrophobicContact CD1-CB 3.9Å; Y360-E377 HydrophobicContact CD1-CG 4.33Å; Y360-E377 HydrophobicContact CE1-CB 4.11Å; Y360-E377 HydrophobicContact CE1-CG 4.43Å; Y360-E377 WeakPolarHBondContact CE1-OE2 3.37Å; M361-E377 PolarHBondContact N-O 3.41Å; E377-K388 WeakPolarHBondContact OE1-CD 3.4Å; E377-K388 WeakPolarHBondContact OE1-CE 3.43Å; E377-K388 IonicContact OE1-NZ 2.89Å; E377-K388 PolarHBondContact OE1-NZ 2.94Å; E377-K388 IonicContact OE2-NZ 2.79Å
378Y98.5Very high97.4Very high40 Ų4059.4 Ų59.416%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-86143.4178.9-70.1-86.7000112.8M361 E365 N366 L376 K506M361-Y378 HydrophobicContact CB-CD1 3.89Å; M361-Y378 HydrophobicContact CB-CE1 4.01Å; M361-Y378 HydrophobicContact CG-CD1 3.76Å; M361-Y378 HydrophobicContact CG-CE1 3.5Å; M361-Y378 CarbonylContact O-C 3.46Å; M361-Y378 VanDerWaalsContact O-CA 3.29Å; M361-Y378 WeakPolarHBondContact O-CA 3.45Å; E365-Y378 HydrophobicContact CB-CD2 4.32Å; E365-Y378 HydrophobicContact CB-CE1 4.39Å; E365-Y378 HydrophobicContact CB-CE2 4.02Å; E365-Y378 HydrophobicContact CG-CD1 4.2Å; E365-Y378 HydrophobicContact CG-CD2 3.51Å; E365-Y378 HydrophobicContact CG-CE1 4.35Å; E365-Y378 HydrophobicContact CG-CE2 3.7Å; E365-Y378 HydrophobicContact CG-CG 3.76Å; N366-Y378 PolarHBondContact O-OH 3.32Å; L376-Y378 HydrophobicContact CD2-CE2 3.8Å; L376-Y378 HydrophobicContact CG-CD2 4.41Å; L376-Y378 HydrophobicContact CG-CE2 3.87Å; Y378-K506 HydrophobicContact CE1-CB 4.15Å; Y378-K506 HydrophobicContact CE1-CD 3.77Å
379V98.3Very high97.5Very high10 Ų1054.3 Ų54.36%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-125.3148.4170.7-60.90000111.6M361 G363 S381 Q384 L385 K388M361-V379 PolarHBondContact O-N 3.46Å; G363-V379 PolarHBondContact N-O 3.28Å; V379-S381 VanDerWaalsContact C-N 3.3Å; V379-S381 WeakPolarHBondContact CG2-O 3.17Å; V379-S381 PolarHBondContact O-N 2.89Å; V379-Q384 HydrophobicContact CB-CB 3.71Å; V379-Q384 HydrophobicContact CG1-CB 4.05Å; V379-Q384 HydrophobicContact CG2-CB 4.1Å; V379-L385 HydrophobicContact CG2-CD2 3.38Å; V379-L385 HydrophobicContact CG2-CG 3.63Å; V379-K388 HydrophobicContact CG1-CG 3.74Å
380A97.8Very high97.7Very high88 Ų8853.3 Ų53.373%0.72730%0.3SS*.SBendtrans-73.3-21.7-174.800000113.6
381S98.1Very high97.9Very high43 Ų4350.6 Ų50.630%0.30128%0.284SS..SBendtrans-147.5154.9-173.569.40000112.9V379 Q384V379-S381 VanDerWaalsContact C-N 3.3Å; V379-S381 WeakPolarHBondContact CG2-O 3.17Å; V379-S381 PolarHBondContact O-N 2.89Å; S381-Q384 WeakPolarHBondContact O-CB 3.5Å; S381-Q384 PolarHBondContact O-N 2.88Å; S381-Q384 VanDerWaalsContact O-N 3.13Å; S381-Q384 WeakPolarHBondContact OG-CG 3.39Å; S381-Q384 PolarHBondContact OG-OE1 3.48Å
382R97.9Very high98.2Very high67 Ų6746.2 Ų46.225%0.25325%0.248SC..Hα-helixtrans-58.1-39.5177.1-67.3-175.9176.894.81.7114.3L346 L362 Q384 L385 Y421L346-R382 PolarHBondContact O-NE 3.48Å; L362-R382 HydrophobicContact CD1-CG 4.18Å; L362-R382 HydrophobicContact CD2-CG 3.91Å; R382-Q384 PolarHBondContact O-N 3.46Å; R382-L385 VanDerWaalsContact O-CB 3.3Å; R382-L385 WeakPolarHBondContact O-CB 3.48Å; R382-L385 PolarHBondContact O-N 3.19Å; R382-L385 VanDerWaalsContact O-N 3.09Å; R382-Y421 HydrophobicContact CB-CE2 3.86Å; R382-Y421 VanDerWaalsContact CB-OH 3.31Å; R382-Y421 WeakPolarHBondContact CB-OH 3.39Å; R382-Y421 WeakPolarHBondContact CD-OH 3.32Å
383P98.3Very high98.3Very high39 Ų3944.3 Ų44.325%0.25324%0.238SC..Hα-helixtrans-55.5-37.7173.7-27.936.1000113.5L385 L386 E387 Y421 I423P383-L385 VanDerWaalsContact C-N 3.25Å; P383-L385 PolarHBondContact O-N 3.01Å; P383-L386 WeakPolarHBondContact O-CB 3.44Å; P383-L386 PolarHBondContact O-N 2.88Å; P383-L386 VanDerWaalsContact O-N 3.08Å; P383-E387 PolarHBondContact O-N 3.25Å; P383-Y421 HydrophobicContact CB-CD2 4.19Å; P383-Y421 HydrophobicContact CB-CG 4.32Å; P383-Y421 HydrophobicContact CG-CD1 4.07Å; P383-Y421 HydrophobicContact CG-CD2 3.9Å; P383-Y421 HydrophobicContact CG-CE1 4.38Å; P383-Y421 HydrophobicContact CG-CE2 4.2Å; P383-Y421 HydrophobicContact CG-CG 3.84Å; P383-I423 HydrophobicContact CB-CD1 3.6Å
384Q98.5Very high98.3Very high66 Ų6641.4 Ų41.431%0.30823%0.23SC..Hα-helixtrans-67.3-23.8178.6-71.1170.2-50.900113.1V379 S381 R382 L386 E387 K388V379-Q384 HydrophobicContact CB-CB 3.71Å; V379-Q384 HydrophobicContact CG1-CB 4.05Å; V379-Q384 HydrophobicContact CG2-CB 4.1Å; S381-Q384 WeakPolarHBondContact O-CB 3.5Å; S381-Q384 PolarHBondContact O-N 2.88Å; S381-Q384 VanDerWaalsContact O-N 3.13Å; S381-Q384 WeakPolarHBondContact OG-CG 3.39Å; S381-Q384 PolarHBondContact OG-OE1 3.48Å; R382-Q384 PolarHBondContact O-N 3.46Å; Q384-L386 VanDerWaalsContact C-N 3.28Å; Q384-L386 PolarHBondContact O-N 3.43Å; Q384-E387 WeakPolarHBondContact CG-OE2 3.28Å; Q384-E387 PolarHBondContact O-N 3.2Å; Q384-K388 WeakPolarHBondContact O-CB 3.39Å; Q384-K388 WeakPolarHBondContact O-CG 3.45Å; Q384-K388 PolarHBondContact O-N 2.8Å
385L98.6Very high98.3Very high0 Ų046.5 Ų46.50%026%0.257CS..Hα-helixtrans-60.9-40.4170.9-65.6172.2000110.9L346 I349 Y360 V379 R382 P383 L389L346-L385 HydrophobicContact CB-CD1 3.78Å; L346-L385 HydrophobicContact CD1-CD1 4.4Å; I349-L385 HydrophobicContact CD1-CB 3.93Å; Y360-L385 WeakPolarHBondContact O-CD2 3.43Å; V379-L385 HydrophobicContact CG2-CD2 3.38Å; V379-L385 HydrophobicContact CG2-CG 3.63Å; R382-L385 VanDerWaalsContact O-CB 3.3Å; R382-L385 WeakPolarHBondContact O-CB 3.48Å; R382-L385 PolarHBondContact O-N 3.19Å; R382-L385 VanDerWaalsContact O-N 3.09Å; P383-L385 VanDerWaalsContact C-N 3.25Å; P383-L385 PolarHBondContact O-N 3.01Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 PolarHBondContact O-N 2.82Å
386L98.5Very high98.3Very high1 Ų144.9 Ų44.91%0.00525%0.248CC..Hα-helixtrans-70.6-37.3177-58.3-175.9000111.9L346 P383 Q384 L389 N390 L414 H417 A418 Y421 I423L346-L386 HydrophobicContact CD1-CD2 4.2Å; P383-L386 WeakPolarHBondContact O-CB 3.44Å; P383-L386 PolarHBondContact O-N 2.88Å; P383-L386 VanDerWaalsContact O-N 3.08Å; Q384-L386 VanDerWaalsContact C-N 3.28Å; Q384-L386 PolarHBondContact O-N 3.43Å; L386-L389 PolarHBondContact O-N 3.39Å; L386-N390 WeakPolarHBondContact O-CB 3.24Å; L386-N390 VanDerWaalsContact O-CG 3.24Å; L386-N390 PolarHBondContact O-N 2.93Å; L386-N390 PolarHBondContact O-ND2 2.93Å; L386-L414 HydrophobicContact CD2-CD2 3.64Å; L386-H417 HydrophobicContact CD1-CB 4.05Å; L386-A418 HydrophobicContact CD1-CB 4.09Å; L386-Y421 HydrophobicContact CD1-CD2 3.95Å; L386-I423 HydrophobicContact CB-CG2 4.33Å
387E98.4Very high98.3Very high102 Ų10245.2 Ų45.248%0.47725%0.25SC..Hα-helixtrans-63.8-42.7175.7-65.1173.3165.200111.4P383 Q384 N390 A391 I423P383-E387 PolarHBondContact O-N 3.25Å; Q384-E387 WeakPolarHBondContact CG-OE2 3.28Å; Q384-E387 PolarHBondContact O-N 3.2Å; E387-N390 PolarHBondContact O-N 3.27Å; E387-A391 WeakPolarHBondContact O-CB 3.17Å; E387-A391 PolarHBondContact O-N 3.06Å; E387-I423 HydrophobicContact CG-CD1 4.26Å
388K98.6Very high98.3Very high74 Ų7442.2 Ų42.232%0.32224%0.236SC..Hα-helixtrans-65.7-42.3174.9-73.1-69.5171173.70112.5Y360 E377 V379 Q384 N390 A391 W392Y360-K388 HydrophobicContact CD1-CB 3.71Å; Y360-K388 HydrophobicContact CD1-CD 4.26Å; Y360-K388 HydrophobicContact CD1-CG 4Å; Y360-K388 HydrophobicContact CD2-CB 3.9Å; Y360-K388 HydrophobicContact CE1-CB 3.72Å; Y360-K388 HydrophobicContact CE1-CD 3.86Å; Y360-K388 HydrophobicContact CE1-CG 4.04Å; Y360-K388 HydrophobicContact CE2-CB 3.87Å; Y360-K388 HydrophobicContact CG-CB 3.81Å; Y360-K388 HydrophobicContact CG-CG 4.5Å; E377-K388 WeakPolarHBondContact OE1-CD 3.4Å; E377-K388 WeakPolarHBondContact OE1-CE 3.43Å; E377-K388 IonicContact OE1-NZ 2.89Å; E377-K388 PolarHBondContact OE1-NZ 2.94Å; E377-K388 IonicContact OE2-NZ 2.79Å; V379-K388 HydrophobicContact CG1-CG 3.74Å; Q384-K388 WeakPolarHBondContact O-CB 3.39Å; Q384-K388 WeakPolarHBondContact O-CG 3.45Å; Q384-K388 PolarHBondContact O-N 2.8Å; K388-N390 PolarHBondContact O-N 2.97Å; K388-A391 PolarHBondContact O-N 2.73Å; K388-W392 WeakPolarHBondContact O-CB 3.39Å; K388-W392 PolarHBondContact O-N 2.89Å
389L98.6Very high98.3Very high0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-57.7-48.8172.5-179.764.1000111.5I336 I349 L351 L385 L386 A391 W392 F393 L414 L425 L427I336-L389 HydrophobicContact CD1-CD1 4.02Å; I336-L389 HydrophobicContact CD1-CD2 4.48Å; I349-L389 HydrophobicContact CD1-CB 4.33Å; I349-L389 HydrophobicContact CD1-CD2 4.27Å; I349-L389 HydrophobicContact CG2-CD1 4.24Å; L351-L389 HydrophobicContact CD1-CD1 3.92Å; L351-L389 HydrophobicContact CD2-CD1 3.91Å; L351-L389 HydrophobicContact CG-CD1 4.48Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 PolarHBondContact O-N 2.82Å; L386-L389 PolarHBondContact O-N 3.39Å; L389-A391 PolarHBondContact O-N 2.92Å; L389-W392 PolarHBondContact O-N 3.38Å; L389-F393 HydrophobicContact CD1-CD2 3.77Å; L389-F393 HydrophobicContact CD1-CE2 3.6Å; L389-F393 HydrophobicContact CG-CD2 4.24Å; L389-F393 HydrophobicContact CG-CE2 4.37Å; L389-F393 WeakPolarHBondContact O-CD2 3.46Å; L389-F393 PolarHBondContact O-N 3.25Å; L389-L414 HydrophobicContact CD2-CD1 3.83Å; L389-L414 HydrophobicContact CD2-CD2 4.04Å; L389-L425 HydrophobicContact CD2-CD1 4.02Å; L389-L427 HydrophobicContact CD2-CD2 4.07Å; L389-L427 HydrophobicContact CG-CD2 4.01Å
390N98.5Very high98.4Very high22 Ų2240.2 Ų40.212%0.11823%0.227CC..Hα-helixtrans-59.1-44.9177.4-76.4-21.2000112L386 E387 K388 F393 A394 P424 R426L386-N390 WeakPolarHBondContact O-CB 3.24Å; L386-N390 VanDerWaalsContact O-CG 3.24Å; L386-N390 PolarHBondContact O-N 2.93Å; L386-N390 PolarHBondContact O-ND2 2.93Å; E387-N390 PolarHBondContact O-N 3.27Å; K388-N390 PolarHBondContact O-N 2.97Å; N390-F393 PolarHBondContact O-N 3.29Å; N390-A394 PolarHBondContact O-N 2.99Å; N390-A394 VanDerWaalsContact O-N 3.09Å; N390-P424 PolarHBondContact ND2-O 3.03Å; N390-R426 PolarHBondContact OD1-N 3.05Å
391A98.5Very high98.4Very high44 Ų4436 Ų3636%0.36419%0.192SC..Hα-helixtrans-62.9-42.6178.300000111.8E387 K388 L389 F393 A394 N395E387-A391 WeakPolarHBondContact O-CB 3.17Å; E387-A391 PolarHBondContact O-N 3.06Å; K388-A391 PolarHBondContact O-N 2.73Å; L389-A391 PolarHBondContact O-N 2.92Å; A391-F393 PolarHBondContact O-N 2.86Å; A391-A394 PolarHBondContact O-N 3.16Å; A391-N395 WeakPolarHBondContact O-CB 3.41Å; A391-N395 PolarHBondContact O-N 2.94Å; A391-N395 PolarHBondContact O-ND2 2.84Å
392W98.7Very high98.4Very high1 Ų134 Ų340%0.00418%0.178CC..Hα-helixtrans-59.7-48.1176.8-167.798.9000111.3V334 L351 C354 Q356 Y360 K388 L389 A394 N395 Y396 P398V334-W392 HydrophobicContact CB-CH2 3.72Å; V334-W392 HydrophobicContact CB-CZ3 3.84Å; V334-W392 HydrophobicContact CG1-CZ3 4.26Å; V334-W392 HydrophobicContact CG2-CE3 4.5Å; V334-W392 HydrophobicContact CG2-CH2 3.41Å; V334-W392 VanDerWaalsContact CG2-CH2 3.41Å; V334-W392 HydrophobicContact CG2-CZ2 4.21Å; V334-W392 HydrophobicContact CG2-CZ3 3.57Å; L351-W392 HydrophobicContact CB-CZ2 4.35Å; L351-W392 HydrophobicContact CD1-CB 4.01Å; L351-W392 HydrophobicContact CD1-CD2 3.62Å; L351-W392 HydrophobicContact CD1-CE3 4.06Å; L351-W392 HydrophobicContact CD1-CG 3.56Å; C354-W392 HydrophobicContact CB-CH2 4.2Å; C354-W392 HydrophobicContact CB-CZ2 4.44Å; Q356-W392 HydrophobicContact CB-CZ2 4.1Å; Q356-W392 HydrophobicContact CG-CZ2 4.19Å; Y360-W392 HydrophobicContact CE2-CB 4.17Å; Y360-W392 HydrophobicContact CE2-CG 4.48Å; K388-W392 WeakPolarHBondContact O-CB 3.39Å; K388-W392 PolarHBondContact O-N 2.89Å; L389-W392 PolarHBondContact O-N 3.38Å; W392-A394 VanDerWaalsContact C-N 3.29Å; W392-A394 PolarHBondContact O-N 2.98Å; W392-N395 PolarHBondContact O-N 3.38Å; W392-N395 VanDerWaalsContact O-N 3.16Å; W392-Y396 HydrophobicContact CB-CD2 4.4Å; W392-Y396 AromaticContact CD1-CD2 3.48Å; W392-Y396 VanDerWaalsContact CD1-CD2 3.48Å; W392-Y396 AromaticContact CD1-CE2 3.38Å; W392-Y396 AromaticContact CD2-CD2 3.53Å; W392-Y396 HydrophobicContact CD2-CD2 3.53Å; W392-Y396 HydrophobicContact CD2-CE2 4.25Å; W392-Y396 HydrophobicContact CD2-CG 4.31Å; W392-Y396 AromaticContact CE2-CD2 3.39Å; W392-Y396 AromaticContact CE2-CE2 3.95Å; W392-Y396 AromaticContact CE2-CG 3.97Å; W392-Y396 HydrophobicContact CE3-CD2 4.27Å; W392-Y396 AromaticContact CG-CD2 3.59Å; W392-Y396 HydrophobicContact CG-CD2 3.59Å; W392-Y396 AromaticContact CG-CE2 3.91Å; W392-Y396 HydrophobicContact CG-CE2 3.91Å; W392-Y396 HydrophobicContact CZ2-CD2 4.01Å; W392-Y396 HydrophobicContact CZ2-CG 4.11Å; W392-Y396 AromaticContact NE1-CD2 3.37Å; W392-Y396 AromaticContact NE1-CE2 3.41Å; W392-Y396 VanDerWaalsContact O-CD2 3.27Å; W392-Y396 WeakPolarHBondContact O-CD2 3.29Å; W392-Y396 PolarHBondContact O-N 3.22Å; W392-P398 HydrophobicContact CZ3-CG 4.07Å
393F98.5Very high98.4Very high1 Ų130.8 Ų30.80%0.00417%0.166CC..Hα-helixtrans-63.7-31.7178.6-93.3-94.3000113.9V334 L389 N390 A391 D397 P398 I401 L427 R453V334-F393 HydrophobicContact CG1-CE1 4.12Å; V334-F393 HydrophobicContact CG1-CZ 3.75Å; L389-F393 HydrophobicContact CD1-CD2 3.77Å; L389-F393 HydrophobicContact CD1-CE2 3.6Å; L389-F393 HydrophobicContact CG-CD2 4.24Å; L389-F393 HydrophobicContact CG-CE2 4.37Å; L389-F393 WeakPolarHBondContact O-CD2 3.46Å; L389-F393 PolarHBondContact O-N 3.25Å; N390-F393 PolarHBondContact O-N 3.29Å; A391-F393 PolarHBondContact O-N 2.86Å; F393-D397 PolarHBondContact O-N 3.39Å; F393-P398 HydrophobicContact CD1-CG 3.81Å; F393-P398 HydrophobicContact CE1-CG 3.63Å; F393-P398 HydrophobicContact CZ-CG 4.41Å; F393-I401 HydrophobicContact CE1-CD1 3.54Å; F393-I401 HydrophobicContact CE1-CG1 3.76Å; F393-I401 HydrophobicContact CZ-CD1 3.87Å; F393-I401 HydrophobicContact CZ-CG1 4.03Å; F393-L427 HydrophobicContact CD1-CD2 4.22Å; F393-L427 HydrophobicContact CD2-CD2 3.58Å; F393-L427 HydrophobicContact CE1-CD2 4.31Å; F393-L427 HydrophobicContact CE2-CD2 3.72Å; F393-L427 HydrophobicContact CG-CD2 3.83Å; F393-L427 HydrophobicContact CZ-CD2 4.07Å; F393-R453 PolarHBondContact O-NH2 3.39Å
394A97.9Very high98.4Very high51 Ų5130.3 Ų30.342%0.42116%0.159SC..Hα-helixtrans-71.7-37.2174.800000112.1N390 A391 W392N390-A394 PolarHBondContact O-N 2.99Å; N390-A394 VanDerWaalsContact O-N 3.09Å; A391-A394 PolarHBondContact O-N 3.16Å; W392-A394 VanDerWaalsContact C-N 3.29Å; W392-A394 PolarHBondContact O-N 2.98Å
395N97.8Very high98.2Very high126 Ų12630.2 Ų30.267%0.67416%0.161SC*.Hα-helixtrans-80.9-42.6-175.3-68-14.4000113.4A391 W392A391-N395 WeakPolarHBondContact O-CB 3.41Å; A391-N395 PolarHBondContact O-N 2.94Å; A391-N395 PolarHBondContact O-ND2 2.84Å; W392-N395 PolarHBondContact O-N 3.38Å; W392-N395 VanDerWaalsContact O-N 3.16Å
396Y98.1Very high98.1Very high71 Ų7130.2 Ų30.228%0.27816%0.161SC..Hα-helixtrans-99.9-14.3-170.8-62.7-74.4000114.4C354 Q356 W392C354-Y396 PolarHBondContact SG-O 3.31Å; C354-Y396 VanDerWaalsContact SG-O 3.41Å; Q356-Y396 VanDerWaalsContact CD-CZ 3.45Å; Q356-Y396 HydrophobicContact CG-CD1 3.54Å; Q356-Y396 HydrophobicContact CG-CD2 4.32Å; Q356-Y396 HydrophobicContact CG-CE1 3.27Å; Q356-Y396 HydrophobicContact CG-CE2 4.11Å; Q356-Y396 HydrophobicContact CG-CG 4.06Å; Q356-Y396 VanDerWaalsContact OE1-CE1 3.26Å; Q356-Y396 PolarHBondContact OE1-OH 3.1Å; W392-Y396 HydrophobicContact CB-CD2 4.4Å; W392-Y396 AromaticContact CD1-CD2 3.48Å; W392-Y396 VanDerWaalsContact CD1-CD2 3.48Å; W392-Y396 AromaticContact CD1-CE2 3.38Å; W392-Y396 AromaticContact CD2-CD2 3.53Å; W392-Y396 HydrophobicContact CD2-CD2 3.53Å; W392-Y396 HydrophobicContact CD2-CE2 4.25Å; W392-Y396 HydrophobicContact CD2-CG 4.31Å; W392-Y396 AromaticContact CE2-CD2 3.39Å; W392-Y396 AromaticContact CE2-CE2 3.95Å; W392-Y396 AromaticContact CE2-CG 3.97Å; W392-Y396 HydrophobicContact CE3-CD2 4.27Å; W392-Y396 AromaticContact CG-CD2 3.59Å; W392-Y396 HydrophobicContact CG-CD2 3.59Å; W392-Y396 AromaticContact CG-CE2 3.91Å; W392-Y396 HydrophobicContact CG-CE2 3.91Å; W392-Y396 HydrophobicContact CZ2-CD2 4.01Å; W392-Y396 HydrophobicContact CZ2-CG 4.11Å; W392-Y396 AromaticContact NE1-CD2 3.37Å; W392-Y396 AromaticContact NE1-CE2 3.41Å; W392-Y396 VanDerWaalsContact O-CD2 3.27Å; W392-Y396 WeakPolarHBondContact O-CD2 3.29Å; W392-Y396 PolarHBondContact O-N 3.22Å
397D98.1Very high98Very high41 Ų4131.2 Ų31.222%0.21917%0.167CC..  trans39.365.7173.2-169.434.6000116P212 F393 R429 R453P212-D397 WeakPolarHBondContact CG-OD2 3.2Å; F393-D397 PolarHBondContact O-N 3.39Å; D397-R429 WeakPolarHBondContact OD1-CG 3.42Å; D397-R429 IonicContact OD1-CZ 3.27Å; D397-R429 IonicContact OD1-NE 3.07Å; D397-R429 PolarHBondContact OD1-NE 3.34Å; D397-R429 IonicContact OD1-NH2 3.81Å; D397-R429 IonicContact OD2-CZ 3.43Å; D397-R429 IonicContact OD2-NE 3.29Å; D397-R429 PolarHBondContact OD2-NE 2.88Å; D397-R429 VanDerWaalsContact OD2-NE 3.07Å; D397-R429 IonicContact OD2-NH2 2.93Å; D397-R429 PolarHBondContact OD2-NH2 3.22Å; D397-R429 VanDerWaalsContact OD2-NH2 3.08Å; D397-R453 IonicContact OD1-CZ 2.7Å; D397-R453 IonicContact OD1-NE 2.86Å; D397-R453 PolarHBondContact OD1-NE 3.5Å; D397-R453 IonicContact OD1-NH2 3.52Å; D397-R453 PolarHBondContact OD1-NH2 3.3Å
398P98.5Very high97.7Very high0 Ų028.9 Ų28.90%016%0.156CC..  trans-64.6147.3176.229.8-37.3000111.6V334 W392 F393 R453V334-P398 HydrophobicContact CB-CB 4.03Å; V334-P398 HydrophobicContact CB-CG 4.23Å; V334-P398 HydrophobicContact CG1-CB 3.76Å; V334-P398 HydrophobicContact CG1-CG 3.64Å; W392-P398 HydrophobicContact CZ3-CG 4.07Å; F393-P398 HydrophobicContact CD1-CG 3.81Å; F393-P398 HydrophobicContact CE1-CG 3.63Å; F393-P398 HydrophobicContact CZ-CG 4.41Å; P398-R453 WeakPolarHBondContact O-CD 2.96Å; P398-R453 WeakPolarHBondContact O-CG 3.48Å; P398-R453 PolarHBondContact O-NE 2.83Å
399D98.7Very high97.5Very high7 Ų728.9 Ų28.94%0.03716%0.157CC..SBendtrans-83.1-29.9171.2-62.2-65.4000112.3L189 L331 K332 R429 R453 L454L189-D399 HydrophobicContact CD1-CB 4.15Å; L331-D399 HydrophobicContact CB-CB 4.37Å; L331-D399 HydrophobicContact CD2-CB 3.81Å; K332-D399 PolarHBondContact N-OD2 2.95Å; K332-D399 WeakPolarHBondContact O-CA 3.46Å; K332-D399 WeakPolarHBondContact O-CB 3.35Å; K332-D399 PolarHBondContact O-N 3.5Å; D399-R429 IonicContact OD1-CZ 3.52Å; D399-R429 IonicContact OD1-NH1 3.06Å; D399-R429 PolarHBondContact OD1-NH1 2.87Å; D399-R429 VanDerWaalsContact OD1-NH1 3.07Å; D399-R429 IonicContact OD1-NH2 2.75Å; D399-R429 PolarHBondContact OD1-NH2 2.85Å; D399-R453 CarbonylContact O-C 3.25Å; D399-R453 VanDerWaalsContact O-CA 3.31Å; D399-R453 WeakPolarHBondContact O-CA 3.37Å; D399-L454 PolarHBondContact O-N 3.48Å
400V98.7Very high97.4Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-132.5127.8-173.9-167.60000110.2L331 K332 W333 V334 I402 L454 I456 M530L331-V400 HydrophobicContact CB-CG2 4.21Å; L331-V400 HydrophobicContact CD1-CG2 4.07Å; K332-V400 PolarHBondContact O-N 3.39Å; W333-V400 CarbonylContact C-O 3.47Å; W333-V400 WeakPolarHBondContact CA-O 3.2Å; W333-V400 HydrophobicContact CG-CB 4.22Å; V334-V400 PolarHBondContact N-O 2.79Å; V400-I402 HydrophobicContact CB-CG2 4.46Å; V400-I402 HydrophobicContact CG1-CG2 3.58Å; V400-L454 WeakPolarHBondContact CA-O 3.44Å; V400-L454 HydrophobicContact CG1-CB 4.13Å; V400-L454 HydrophobicContact CG2-CB 4.33Å; V400-L454 HydrophobicContact CG2-CD1 4.29Å; V400-I456 HydrophobicContact CG1-CB 4.44Å; V400-I456 HydrophobicContact CG1-CG1 3.68Å; V400-M530 HydrophobicContact CG1-CE 4.06Å; V400-M530 HydrophobicContact CG1-SD 4.15Å; V400-M530 HydrophobicContact CG2-CE 3.81Å
401I98.8Very high97.4Very high0 Ų027.9 Ų27.90%015%0.151CC..EExtended strand (participates in β ladder)trans-98114.7169.2-53.4175.9000107.1V334 I336 F393 L427 A450 L454 I455 I456V334-I401 HydrophobicContact CG1-CB 4.4Å; V334-I401 HydrophobicContact CG1-CG1 4.13Å; V334-I401 HydrophobicContact CG1-CG2 4.41Å; I336-I401 HydrophobicContact CG2-CG2 3.73Å; F393-I401 HydrophobicContact CE1-CD1 3.54Å; F393-I401 HydrophobicContact CE1-CG1 3.76Å; F393-I401 HydrophobicContact CZ-CD1 3.87Å; F393-I401 HydrophobicContact CZ-CG1 4.03Å; I401-L427 HydrophobicContact CD1-CB 4.45Å; I401-A450 HydrophobicContact CD1-CB 4.36Å; I401-L454 PolarHBondContact N-O 3.49Å; I401-I455 HydrophobicContact CB-CG1 4.42Å; I401-I455 HydrophobicContact CD1-CG1 4.32Å; I401-I455 WeakPolarHBondContact O-CA 3.47Å; I401-I456 PolarHBondContact O-N 3.34Å
402I98.7Very high97.3Very high0 Ų030.8 Ų30.80%015%0.153CC..EExtended strand (participates in β ladder)trans-112.2159.4177.372.4177.5000110.2W333 V334 S335 I336 V400 I456 V520 F524W333-I402 HydrophobicContact CE3-CD1 4.21Å; V334-I402 PolarHBondContact O-N 2.98Å; S335-I402 WeakPolarHBondContact CA-O 3.49Å; I336-I402 PolarHBondContact N-O 3.42Å; V400-I402 HydrophobicContact CB-CG2 4.46Å; V400-I402 HydrophobicContact CG1-CG2 3.58Å; I402-I456 WeakPolarHBondContact CA-O 3.46Å; I402-I456 HydrophobicContact CG2-CB 4.3Å; I402-V520 HydrophobicContact CD1-CG1 4.15Å; I402-V520 HydrophobicContact CG1-CG1 4.16Å; I402-F524 HydrophobicContact CB-CD1 4.33Å; I402-F524 HydrophobicContact CB-CE1 3.81Å; I402-F524 HydrophobicContact CB-CE2 4.4Å; I402-F524 HydrophobicContact CB-CZ 3.83Å; I402-F524 HydrophobicContact CD1-CB 4.49Å; I402-F524 HydrophobicContact CD1-CD1 4.1Å; I402-F524 HydrophobicContact CD1-CD2 4.39Å; I402-F524 HydrophobicContact CD1-CE1 4.42Å; I402-F524 HydrophobicContact CD1-CG 4.09Å; I402-F524 HydrophobicContact CG2-CD1 3.93Å; I402-F524 HydrophobicContact CG2-CE1 3.47Å; I402-F524 VanDerWaalsContact CG2-CE1 3.47Å; I402-F524 HydrophobicContact CG2-CZ 4.02Å
403G98Very high97.1Very high1 Ų131.8 Ų31.81%0.0116%0.158CC..EExtended strand (participates in β ladder)trans176.2-175.2176.100000110.8G458G403-G458 PolarHBondContact O-N 2.89Å
404W97.1Very high97.1Very high28 Ų2831.8 Ų31.811%0.10616%0.158CC..SBendtrans-115.5108.7-178.3-154.3-97.9000111.1I459 L462 F472 L474 V477 V520 I523W404-I459 HydrophobicContact CD2-CG1 3.96Å; W404-I459 VanDerWaalsContact CE2-CG1 3.49Å; W404-I459 HydrophobicContact CG-CD1 4.49Å; W404-I459 HydrophobicContact CG-CG1 4.27Å; W404-I459 HydrophobicContact CZ2-CG1 3.81Å; W404-L462 HydrophobicContact CH2-CD1 3.47Å; W404-L462 VanDerWaalsContact CH2-CD1 3.47Å; W404-L462 HydrophobicContact CZ3-CD1 3.83Å; W404-F472 WeakPolarHBondContact CZ2-O 3.44Å; W404-F472 PolarHBondContact NE1-O 3.06Å; W404-L474 HydrophobicContact CD2-CB 4.34Å; W404-L474 HydrophobicContact CD2-CD1 3.99Å; W404-L474 HydrophobicContact CE3-CD1 4.12Å; W404-L474 HydrophobicContact CG-CB 4.02Å; W404-L474 HydrophobicContact CG-CD1 4.2Å; W404-V477 HydrophobicContact CH2-CB 3.99Å; W404-V477 HydrophobicContact CH2-CG1 3.86Å; W404-V477 HydrophobicContact CH2-CG2 3.94Å; W404-V477 HydrophobicContact CZ2-CB 4.02Å; W404-V477 HydrophobicContact CZ2-CG1 4.39Å; W404-V477 HydrophobicContact CZ2-CG2 3.67Å; W404-V520 HydrophobicContact CB-CG2 3.9Å; W404-V520 HydrophobicContact CE3-CG2 4.28Å; W404-I523 HydrophobicContact CH2-CD1 4.48Å; W404-I523 HydrophobicContact CZ3-CD1 4.24Å; W404-I523 HydrophobicContact CZ3-CG2 4.11Å
405N94.7Very high97.1Very high65 Ų6530.8 Ų30.835%0.34814%0.144SC..SBendtrans63.227-164.5-160.923.5000113.2V407 Q408 F409 D457 I459N405-V407 VanDerWaalsContact C-N 3.29Å; N405-V407 PolarHBondContact O-N 3.44Å; N405-V407 VanDerWaalsContact O-N 3.11Å; N405-Q408 PolarHBondContact O-N 2.85Å; N405-Q408 VanDerWaalsContact O-N 3.1Å; N405-Q408 WeakPolarHBondContact OD1-CB 3.48Å; N405-F409 PolarHBondContact O-N 3.11Å; N405-D457 VanDerWaalsContact CA-OD1 3.3Å; N405-D457 WeakPolarHBondContact CA-OD1 3.17Å; N405-D457 PolarHBondContact N-OD1 3.31Å; N405-I459 HydrophobicContact CB-CD1 4.03Å
406V97.4Very high97.1Very high0 Ų029.6 Ų29.60%013%0.133CC..THydrogen-bonded Turntrans-54.8-36.6-166.572.30000114.5I336 D410 L411 I455 D457I336-V406 HydrophobicContact CG2-CG2 3.65Å; V406-D410 WeakPolarHBondContact CA-OD2 3.41Å; V406-D410 HydrophobicContact CG2-CB 4.18Å; V406-D410 PolarHBondContact O-N 2.76Å; V406-L411 HydrophobicContact CG2-CG 4.28Å; V406-L411 WeakPolarHBondContact O-CB 3.46Å; V406-L411 WeakPolarHBondContact O-CG 3.42Å; V406-L411 PolarHBondContact O-N 3.33Å; V406-I455 HydrophobicContact CG1-CG2 4.16Å; V406-D457 HydrophobicContact CG1-CB 4.03Å
407V95.4Very high97.1Very high21 Ų2126.2 Ų26.213%0.12712%0.12CC..Iπ-helixtrans-76.5-44.5-179.3179.70000111.4N405 R412 W436 A448 I455N405-V407 VanDerWaalsContact C-N 3.29Å; N405-V407 PolarHBondContact O-N 3.44Å; N405-V407 VanDerWaalsContact O-N 3.11Å; V407-R412 WeakPolarHBondContact O-CB 3.35Å; V407-R412 PolarHBondContact O-N 3.23Å; V407-W436 HydrophobicContact CG1-CH2 4.49Å; V407-W436 HydrophobicContact CG1-CZ3 4.1Å; V407-W436 WeakPolarHBondContact O-CH2 3.21Å; V407-A448 HydrophobicContact CG1-CB 4.02Å; V407-I455 HydrophobicContact CG2-CG2 3.73Å
408Q92Very high97.1Very high54 Ų5424.5 Ų24.525%0.25211%0.112SC..Iπ-helixtrans-88.6-15.6-171.6-52.8-60-38.600112.7N405 R412 F446N405-Q408 PolarHBondContact O-N 2.85Å; N405-Q408 VanDerWaalsContact O-N 3.1Å; N405-Q408 WeakPolarHBondContact OD1-CB 3.48Å; Q408-R412 PolarHBondContact O-NE 3.21Å; Q408-R412 PolarHBondContact O-NH2 2.63Å; Q408-F446 PolarHBondContact NE2-O 2.96Å
409F93.8Very high97Very high74 Ų7430.4 Ų30.433%0.32514%0.139SC..Iπ-helixtrans-109.8-82.2173.5-172.7-112.3000110.7I338 N405 L411 R412 M413I338-F409 HydrophobicContact CD1-CE1 4.32Å; I338-F409 HydrophobicContact CG1-CD1 4.28Å; I338-F409 HydrophobicContact CG1-CE1 3.8Å; I338-F409 HydrophobicContact CG1-CZ 4.46Å; N405-F409 PolarHBondContact O-N 3.11Å; F409-L411 PolarHBondContact O-N 3.32Å; F409-R412 PolarHBondContact O-N 3.3Å; F409-M413 HydrophobicContact CD2-CG 4.28Å; F409-M413 HydrophobicContact CE2-CG 4.31Å; F409-M413 WeakPolarHBondContact O-CB 3.17Å; F409-M413 VanDerWaalsContact O-CG 3.25Å; F409-M413 WeakPolarHBondContact O-CG 3.33Å; F409-M413 PolarHBondContact O-N 3.28Å
410D97.9Very high97Very high1 Ų136.3 Ų36.31%0.00516%0.161CC..Iπ-helixtrans-54.3-63-167.5-52.8-96.9000112.8I338 V406 R412 M413 L414I338-D410 HydrophobicContact CG1-CB 4.34Å; I338-D410 PolarHBondContact N-OD1 3.48Å; V406-D410 WeakPolarHBondContact CA-OD2 3.41Å; V406-D410 HydrophobicContact CG2-CB 4.18Å; V406-D410 PolarHBondContact O-N 2.76Å; D410-R412 VanDerWaalsContact C-N 3.3Å; D410-R412 PolarHBondContact O-N 3.27Å; D410-M413 PolarHBondContact O-N 3.32Å; D410-L414 WeakPolarHBondContact O-CB 3.27Å; D410-L414 VanDerWaalsContact O-CG 3.29Å; D410-L414 WeakPolarHBondContact O-CG 3.4Å; D410-L414 PolarHBondContact O-N 3.33Å
411L98Very high96.9Very high0 Ų039 Ų390%017%0.171CC..Iπ-helixtrans-62.2-38.7-177.8-63.1-176.7000111.7V406 F409 L414 Q415 L427 L434 W436 A448 I455V406-L411 HydrophobicContact CG2-CG 4.28Å; V406-L411 WeakPolarHBondContact O-CB 3.46Å; V406-L411 WeakPolarHBondContact O-CG 3.42Å; V406-L411 PolarHBondContact O-N 3.33Å; F409-L411 PolarHBondContact O-N 3.32Å; L411-L414 HydrophobicContact CD2-CD1 4.44Å; L411-L414 PolarHBondContact O-N 3.1Å; L411-Q415 VanDerWaalsContact O-CB 3.32Å; L411-Q415 WeakPolarHBondContact O-CB 3.45Å; L411-Q415 PolarHBondContact O-N 2.94Å; L411-L427 HydrophobicContact CD2-CD1 3.69Å; L411-L434 HydrophobicContact CB-CD2 4.16Å; L411-L434 HydrophobicContact CD2-CD2 4.45Å; L411-W436 HydrophobicContact CB-CH2 4Å; L411-W436 HydrophobicContact CB-CZ2 4.03Å; L411-W436 WeakPolarHBondContact O-CZ2 3.42Å; L411-A448 HydrophobicContact CD1-CB 3.9Å; L411-I455 HydrophobicContact CD1-CD1 3.97Å; L411-I455 HydrophobicContact CD1-CG2 3.77Å
412R95.6Very high96.8Very high104 Ų10449.8 Ų49.839%0.39221%0.212SC..Hα-helixtrans-68-37.6179.8-171.9173.964.8157.6-1.9111.6V407 Q408 F409 D410 K416 W436V407-R412 WeakPolarHBondContact O-CB 3.35Å; V407-R412 PolarHBondContact O-N 3.23Å; Q408-R412 PolarHBondContact O-NE 3.21Å; Q408-R412 PolarHBondContact O-NH2 2.63Å; F409-R412 PolarHBondContact O-N 3.3Å; D410-R412 VanDerWaalsContact C-N 3.3Å; D410-R412 PolarHBondContact O-N 3.27Å; R412-K416 WeakPolarHBondContact O-CG 3.42Å; R412-K416 PolarHBondContact O-N 3.07Å; R412-K416 VanDerWaalsContact O-N 3.13Å; R412-W436 VanDerWaalsContact CA-CH2 3.5Å; R412-W436 HydrophobicContact CB-CH2 3.75Å; R412-W436 HydrophobicContact CB-CZ2 4.4Å; R412-W436 HydrophobicContact CB-CZ3 4.43Å; R412-W436 HydrophobicContact CG-CH2 4.37Å
413M96.4Very high96.8Very high23 Ų2351.1 Ų51.111%0.11322%0.219CC..Hα-helixtrans-70.3-44.5175.9-72.1-52.6-61.200110.9I338 G344 F409 D410 Q415 K416 H417I338-M413 HydrophobicContact CD1-CB 3.47Å; I338-M413 VanDerWaalsContact CD1-CB 3.47Å; I338-M413 HydrophobicContact CD1-CG 4.18Å; G344-M413 VanDerWaalsContact CA-CE 3.4Å; G344-M413 WeakPolarHBondContact O-CE 3.28Å; F409-M413 HydrophobicContact CD2-CG 4.28Å; F409-M413 HydrophobicContact CE2-CG 4.31Å; F409-M413 WeakPolarHBondContact O-CB 3.17Å; F409-M413 VanDerWaalsContact O-CG 3.25Å; F409-M413 WeakPolarHBondContact O-CG 3.33Å; F409-M413 PolarHBondContact O-N 3.28Å; D410-M413 PolarHBondContact O-N 3.32Å; M413-Q415 VanDerWaalsContact C-N 3.31Å; M413-Q415 PolarHBondContact O-N 2.88Å; M413-K416 PolarHBondContact O-N 3.2Å; M413-K416 HydrophobicContact SD-CD 4.18Å; M413-H417 PolarHBondContact O-N 2.79Å; M413-H417 PolarHBondContact O-ND1 3.2Å
414L98.3Very high96.7Very high0 Ų053.1 Ų53.10%023%0.232CC..Hα-helixtrans-57.7-43.5173.2-69.7168.6000111.5I336 I338 L346 I349 L386 L389 D410 L411 K416 H417 A418 L425I336-L414 HydrophobicContact CD1-CD1 3.87Å; I338-L414 HydrophobicContact CG2-CD1 4.24Å; I338-L414 HydrophobicContact CG2-CD2 4.2Å; I338-L414 HydrophobicContact CG2-CG 4.23Å; L346-L414 HydrophobicContact CD1-CD2 4.15Å; L346-L414 HydrophobicContact CD2-CD2 4.25Å; I349-L414 HydrophobicContact CD1-CD2 3.78Å; I349-L414 HydrophobicContact CG1-CD2 4.48Å; L386-L414 HydrophobicContact CD2-CD2 3.64Å; L389-L414 HydrophobicContact CD2-CD1 3.83Å; L389-L414 HydrophobicContact CD2-CD2 4.04Å; D410-L414 WeakPolarHBondContact O-CB 3.27Å; D410-L414 VanDerWaalsContact O-CG 3.29Å; D410-L414 WeakPolarHBondContact O-CG 3.4Å; D410-L414 PolarHBondContact O-N 3.33Å; L411-L414 HydrophobicContact CD2-CD1 4.44Å; L411-L414 PolarHBondContact O-N 3.1Å; L414-K416 PolarHBondContact O-N 3.02Å; L414-H417 PolarHBondContact O-N 2.89Å; L414-A418 WeakPolarHBondContact O-CB 3.11Å; L414-A418 PolarHBondContact O-N 2.86Å; L414-L425 HydrophobicContact CB-CD1 4.48Å; L414-L425 HydrophobicContact CB-CD2 3.87Å
415Q97.7Very high96.8Very high30 Ų3051.9 Ų51.914%0.1423%0.227CC..Hα-helixtrans-58.7-46.7175.3-179.565.332.700112.1L411 M413 H417 A418 E419 L425 W436L411-Q415 VanDerWaalsContact O-CB 3.32Å; L411-Q415 WeakPolarHBondContact O-CB 3.45Å; L411-Q415 PolarHBondContact O-N 2.94Å; M413-Q415 VanDerWaalsContact C-N 3.31Å; M413-Q415 PolarHBondContact O-N 2.88Å; Q415-H417 VanDerWaalsContact C-N 3.27Å; Q415-H417 PolarHBondContact O-N 3.17Å; Q415-A418 WeakPolarHBondContact O-CB 3.45Å; Q415-A418 PolarHBondContact O-N 2.78Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.39Å; Q415-E419 PolarHBondContact NE2-OE1 2.93Å; Q415-E419 WeakPolarHBondContact O-CG 3.49Å; Q415-E419 PolarHBondContact O-N 2.74Å; Q415-L425 HydrophobicContact CB-CD2 4.49Å; Q415-W436 HydrophobicContact CB-CZ2 3.8Å; Q415-W436 VanDerWaalsContact CD-NE1 3.25Å; Q415-W436 HydrophobicContact CG-CZ2 4.3Å; Q415-W436 VanDerWaalsContact CG-NE1 3.26Å
416K96.9Very high97Very high101 Ų10153.6 Ų53.644%0.43923%0.229SC..Hα-helixtrans-60.8-36.7177-73.8174.1178-179.10112.4R412 M413 L414 R420R412-K416 WeakPolarHBondContact O-CG 3.42Å; R412-K416 PolarHBondContact O-N 3.07Å; R412-K416 VanDerWaalsContact O-N 3.13Å; M413-K416 PolarHBondContact O-N 3.2Å; M413-K416 HydrophobicContact SD-CD 4.18Å; L414-K416 PolarHBondContact O-N 3.02Å; K416-R420 VanDerWaalsContact O-CB 3.31Å; K416-R420 WeakPolarHBondContact O-CB 3.42Å; K416-R420 PolarHBondContact O-N 3.08Å
417H98Very high97Very high1 Ų153.6 Ų53.61%0.00523%0.229CC..Hα-helixtrans-70.2-43.6175.5-72.872.7000111.1G344 L346 L386 M413 L414 Q415 E419 R420 Y421G344-H417 PolarHBondContact O-CE1 2.79Å; G344-H417 PolarHBondContact O-NE2 2.7Å; L346-H417 HydrophobicContact CD1-CB 4.21Å; L346-H417 PolarHBondContact N-NE2 3.14Å; L386-H417 HydrophobicContact CD1-CB 4.05Å; M413-H417 PolarHBondContact O-N 2.79Å; M413-H417 PolarHBondContact O-ND1 3.2Å; L414-H417 PolarHBondContact O-N 2.89Å; Q415-H417 VanDerWaalsContact C-N 3.27Å; Q415-H417 PolarHBondContact O-N 3.17Å; H417-E419 VanDerWaalsContact C-N 3.34Å; H417-E419 PolarHBondContact O-N 2.66Å; H417-R420 PolarHBondContact O-N 3.41Å; H417-Y421 HydrophobicContact CB-CD2 4.1Å; H417-Y421 HydrophobicContact CB-CE2 3.83Å; H417-Y421 AromaticContact CD2-CE2 3.68Å; H417-Y421 AromaticContact CD2-CZ 3.83Å; H417-Y421 PolarHBondContact CD2-OH 2.94Å; H417-Y421 WeakPolarHBondContact O-CB 3.47Å; H417-Y421 WeakPolarHBondContact O-CD2 3.31Å; H417-Y421 VanDerWaalsContact O-CG 3.24Å; H417-Y421 PolarHBondContact O-N 3.44Å
418A97.9Very high97.1Very high5 Ų552.7 Ų52.74%0.04122%0.223CC..Hα-helixtrans-56.3-47.2175.500000111.6L386 L414 Q415 Y421 R422 I423 L425L386-A418 HydrophobicContact CD1-CB 4.09Å; L414-A418 WeakPolarHBondContact O-CB 3.11Å; L414-A418 PolarHBondContact O-N 2.86Å; Q415-A418 WeakPolarHBondContact O-CB 3.45Å; Q415-A418 PolarHBondContact O-N 2.78Å; A418-Y421 PolarHBondContact O-N 2.84Å; A418-R422 WeakPolarHBondContact O-CA 3.21Å; A418-R422 PolarHBondContact O-N 2.81Å; A418-I423 WeakPolarHBondContact CA-O 3.25Å; A418-I423 VanDerWaalsContact CB-O 3.26Å; A418-I423 WeakPolarHBondContact CB-O 3.39Å; A418-I423 PolarHBondContact O-N 3.48Å; A418-L425 HydrophobicContact CB-CB 3.85Å
419E97.3Very high97.4Very high123 Ų12350.5 Ų50.558%0.57521%0.213SC*.Hα-helixtrans-62.3-45.5175-72.9168.6-17300112.3Q415 H417 R422Q415-E419 WeakPolarHBondContact CG-OE1 3.39Å; Q415-E419 PolarHBondContact NE2-OE1 2.93Å; Q415-E419 WeakPolarHBondContact O-CG 3.49Å; Q415-E419 PolarHBondContact O-N 2.74Å; H417-E419 VanDerWaalsContact C-N 3.34Å; H417-E419 PolarHBondContact O-N 2.66Å; E419-R422 PolarHBondContact O-N 2.67Å
420R97.6Very high97.4Very high132 Ų13252 Ų5250%0.49822%0.224SC..Hα-helixtrans-64.2-42180-169.7-168.5-62.51772.1112.1E345 K416 H417E345-R420 IonicContact OE1-CZ 3.81Å; E345-R420 VanDerWaalsContact OE1-CZ 3.22Å; E345-R420 IonicContact OE1-NH1 3.97Å; E345-R420 PolarHBondContact OE1-NH1 3.02Å; E345-R420 IonicContact OE1-NH2 2.73Å; E345-R420 PolarHBondContact OE1-NH2 3.23Å; E345-R420 IonicContact OE2-NH1 3.93Å; E345-R420 PolarHBondContact OE2-NH1 2.87Å; K416-R420 VanDerWaalsContact O-CB 3.31Å; K416-R420 WeakPolarHBondContact O-CB 3.42Å; K416-R420 PolarHBondContact O-N 3.08Å; H417-R420 PolarHBondContact O-N 3.41Å
421Y97.4Very high97.3Very high55 Ų5556.3 Ų56.322%0.21625%0.248CC..Hα-helixtrans-88-8.3-177.8-55.1-33.5000113.1R382 P383 L386 H417 A418 I423R382-Y421 HydrophobicContact CB-CE2 3.86Å; R382-Y421 VanDerWaalsContact CB-OH 3.31Å; R382-Y421 WeakPolarHBondContact CB-OH 3.39Å; R382-Y421 WeakPolarHBondContact CD-OH 3.32Å; P383-Y421 HydrophobicContact CB-CD2 4.19Å; P383-Y421 HydrophobicContact CB-CG 4.32Å; P383-Y421 HydrophobicContact CG-CD1 4.07Å; P383-Y421 HydrophobicContact CG-CD2 3.9Å; P383-Y421 HydrophobicContact CG-CE1 4.38Å; P383-Y421 HydrophobicContact CG-CE2 4.2Å; P383-Y421 HydrophobicContact CG-CG 3.84Å; L386-Y421 HydrophobicContact CD1-CD2 3.95Å; H417-Y421 HydrophobicContact CB-CD2 4.1Å; H417-Y421 HydrophobicContact CB-CE2 3.83Å; H417-Y421 AromaticContact CD2-CE2 3.68Å; H417-Y421 AromaticContact CD2-CZ 3.83Å; H417-Y421 PolarHBondContact CD2-OH 2.94Å; H417-Y421 WeakPolarHBondContact O-CB 3.47Å; H417-Y421 WeakPolarHBondContact O-CD2 3.31Å; H417-Y421 VanDerWaalsContact O-CG 3.24Å; H417-Y421 PolarHBondContact O-N 3.44Å; A418-Y421 PolarHBondContact O-N 2.84Å; Y421-I423 VanDerWaalsContact C-N 3.28Å; Y421-I423 PolarHBondContact O-N 3.4Å
422R97.6Very high97.2Very high228 Ų22857.7 Ų57.786%0.8626%0.257SS*.THydrogen-bonded Turntrans58.340.3-176.5-57163.9-178.1166-0.8112A418 E419A418-R422 WeakPolarHBondContact O-CA 3.21Å; A418-R422 PolarHBondContact O-N 2.81Å; E419-R422 PolarHBondContact O-N 2.67Å
423I97.4Very high97.3Very high28 Ų2857.7 Ų57.714%0.14426%0.262CS..  trans-110124.3176.5-65.1178.9000108P383 L386 E387 A418 Y421 L425P383-I423 HydrophobicContact CB-CD1 3.6Å; L386-I423 HydrophobicContact CB-CG2 4.33Å; E387-I423 HydrophobicContact CG-CD1 4.26Å; A418-I423 WeakPolarHBondContact CA-O 3.25Å; A418-I423 VanDerWaalsContact CB-O 3.26Å; A418-I423 WeakPolarHBondContact CB-O 3.39Å; A418-I423 PolarHBondContact O-N 3.48Å; Y421-I423 VanDerWaalsContact C-N 3.28Å; Y421-I423 PolarHBondContact O-N 3.4Å; I423-L425 PolarHBondContact O-N 3.4Å
424P97.4Very high97.3Very high43 Ų4357 Ų5728%0.27926%0.258SS..  trans-59.9129.6175.2-24.735.3000111.6N390 R426 E433N390-P424 PolarHBondContact ND2-O 3.03Å; P424-R426 HydrophobicContact CB-CG 4.06Å; P424-R426 PolarHBondContact O-N 2.69Å; P424-E433 HydrophobicContact CB-CG 3.86Å
425L98.2Very high97.1Very high2 Ų261.7 Ų61.71%0.0128%0.28CS..  trans-90.390.2177.3-175.858.4000109.7L389 L414 Q415 A418 I423 L427 E433 L434L389-L425 HydrophobicContact CD2-CD1 4.02Å; L414-L425 HydrophobicContact CB-CD1 4.48Å; L414-L425 HydrophobicContact CB-CD2 3.87Å; Q415-L425 HydrophobicContact CB-CD2 4.49Å; A418-L425 HydrophobicContact CB-CB 3.85Å; I423-L425 PolarHBondContact O-N 3.4Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 HydrophobicContact CD1-CD1 4.09Å; L425-L427 HydrophobicContact CD1-CD2 4.13Å; L425-L427 HydrophobicContact CD1-CG 3.95Å; L425-L427 HydrophobicContact CD2-CD1 4.21Å; L425-L427 HydrophobicContact CG-CD1 4Å; L425-L427 HydrophobicContact CG-CG 3.9Å; L425-L427 PolarHBondContact O-N 3.42Å; L425-L427 VanDerWaalsContact O-N 3.08Å; L425-E433 CarbonylContact O-C 3.58Å; L425-E433 VanDerWaalsContact O-CA 3.3Å; L425-E433 WeakPolarHBondContact O-CA 3.11Å; L425-L434 HydrophobicContact CD2-CB 4.4Å; L425-L434 HydrophobicContact CD2-CD2 3.99Å; L425-L434 HydrophobicContact CG-CB 4.43Å; L425-L434 PolarHBondContact O-N 3.46Å
426R98.3Very high96.9Very high100 Ų10063 Ų6338%0.37728%0.284SS..  trans-89.160-166.6-61.5-177.8-175.9-87.1-1113.1N390 P424 G428 N431 S432N390-R426 PolarHBondContact OD1-N 3.05Å; P424-R426 HydrophobicContact CB-CG 4.06Å; P424-R426 PolarHBondContact O-N 2.69Å; R426-G428 VanDerWaalsContact C-N 3.35Å; R426-N431 PolarHBondContact NH1-O 3.17Å; R426-S432 CarbonylContact C-O 3.46Å; R426-S432 VanDerWaalsContact CA-O 3.31Å; R426-S432 WeakPolarHBondContact CA-O 3.39Å
427L98.2Very high96.4Very high0 Ų064.7 Ų64.70%029%0.288CS..  trans-87.71.3-179.3-54.3-176.6000113.8L389 F393 I401 L411 L425 L434 A450 R453L389-L427 HydrophobicContact CD2-CD2 4.07Å; L389-L427 HydrophobicContact CG-CD2 4.01Å; F393-L427 HydrophobicContact CD1-CD2 4.22Å; F393-L427 HydrophobicContact CD2-CD2 3.58Å; F393-L427 HydrophobicContact CE1-CD2 4.31Å; F393-L427 HydrophobicContact CE2-CD2 3.72Å; F393-L427 HydrophobicContact CG-CD2 3.83Å; F393-L427 HydrophobicContact CZ-CD2 4.07Å; I401-L427 HydrophobicContact CD1-CB 4.45Å; L411-L427 HydrophobicContact CD2-CD1 3.69Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 HydrophobicContact CD1-CD1 4.09Å; L425-L427 HydrophobicContact CD1-CD2 4.13Å; L425-L427 HydrophobicContact CD1-CG 3.95Å; L425-L427 HydrophobicContact CD2-CD1 4.21Å; L425-L427 HydrophobicContact CG-CD1 4Å; L425-L427 HydrophobicContact CG-CG 3.9Å; L425-L427 PolarHBondContact O-N 3.42Å; L425-L427 VanDerWaalsContact O-N 3.08Å; L427-L434 HydrophobicContact CB-CD1 4.43Å; L427-L434 HydrophobicContact CD1-CD2 4.37Å; L427-A450 WeakPolarHBondContact O-CB 3.22Å; L427-R453 WeakPolarHBondContact O-CD 3.31Å; L427-R453 PolarHBondContact O-NH1 2.92Å
428G97.6Very high95.8Very high2 Ų269.7 Ų69.72%0.02131%0.311CS..SBendtrans-96.2155.5171.800000113.2R426 S432 R453R426-G428 VanDerWaalsContact C-N 3.35Å; G428-S432 WeakPolarHBondContact CA-OG 3.25Å; G428-S432 PolarHBondContact N-O 3.12Å; G428-S432 PolarHBondContact O-N 3.01Å; G428-R453 PolarHBondContact O-NH1 3.35Å
429R97.4Very high94.9Very high8 Ų871 Ų713%0.0332%0.316CS..SBendtrans-60.7161.6166.3-70.4-170.6164.6140.1-8.7110.5W205 P212 D397 D399 N431 S432 K451 G452 R453W205-R429 HydrophobicContact CH2-CB 3.84Å; W205-R429 HydrophobicContact CZ2-CB 3.85Å; W205-R429 HydrophobicContact CZ3-CB 4.2Å; W205-R429 VanDerWaalsContact CZ3-CD 3.47Å; W205-R429 HydrophobicContact CZ3-CG 4.44Å; P212-R429 VanDerWaalsContact CB-NH2 3.32Å; D397-R429 WeakPolarHBondContact OD1-CG 3.42Å; D397-R429 IonicContact OD1-CZ 3.27Å; D397-R429 IonicContact OD1-NE 3.07Å; D397-R429 PolarHBondContact OD1-NE 3.34Å; D397-R429 IonicContact OD1-NH2 3.81Å; D397-R429 IonicContact OD2-CZ 3.43Å; D397-R429 IonicContact OD2-NE 3.29Å; D397-R429 PolarHBondContact OD2-NE 2.88Å; D397-R429 VanDerWaalsContact OD2-NE 3.07Å; D397-R429 IonicContact OD2-NH2 2.93Å; D397-R429 PolarHBondContact OD2-NH2 3.22Å; D397-R429 VanDerWaalsContact OD2-NH2 3.08Å; D399-R429 IonicContact OD1-CZ 3.52Å; D399-R429 IonicContact OD1-NH1 3.06Å; D399-R429 PolarHBondContact OD1-NH1 2.87Å; D399-R429 VanDerWaalsContact OD1-NH1 3.07Å; D399-R429 IonicContact OD1-NH2 2.75Å; D399-R429 PolarHBondContact OD1-NH2 2.85Å; R429-N431 PolarHBondContact O-N 3.41Å; R429-S432 PolarHBondContact O-N 2.91Å; R429-S432 PolarHBondContact O-OG 3.5Å; R429-K451 WeakPolarHBondContact CB-O 3.17Å; R429-K451 PolarHBondContact N-O 2.97Å; R429-G452 PolarHBondContact NH1-O 2.89Å; R429-R453 HydrophobicContact CG-CG 4.17Å
430D94.4Very high93.9Very high105 Ų10569.1 Ų69.156%0.56133%0.33SS*.THydrogen-bonded Turntrans6030.9-171.7-172.132.9000111.3W205 S432 K451W205-D430 HydrophobicContact CZ2-CB 4.35Å; D430-S432 PolarHBondContact O-N 3.21Å; D430-K451 HydrophobicContact CB-CD 4.47Å; D430-K451 IonicContact OD2-NZ 2.72Å; D430-K451 PolarHBondContact OD2-NZ 3.17Å
431N95Very high92.9Very high93 Ų9370.3 Ų70.350%0.49734%0.339SS..THydrogen-bonded Turntrans49.330.9-178-65-67.1000114.1R426 R429R426-N431 PolarHBondContact NH1-O 3.17Å; R429-N431 PolarHBondContact O-N 3.41Å
432S96.3Very high91.9Very high28 Ų2872.8 Ų72.820%0.19635%0.351CS..PPolyproline II helixtrans-79.4150.4-176.281.30000111.5R426 G428 R429 D430 K451R426-S432 CarbonylContact C-O 3.46Å; R426-S432 VanDerWaalsContact CA-O 3.31Å; R426-S432 WeakPolarHBondContact CA-O 3.39Å; G428-S432 WeakPolarHBondContact CA-OG 3.25Å; G428-S432 PolarHBondContact N-O 3.12Å; G428-S432 PolarHBondContact O-N 3.01Å; R429-S432 PolarHBondContact O-N 2.91Å; R429-S432 PolarHBondContact O-OG 3.5Å; D430-S432 PolarHBondContact O-N 3.21Å; S432-K451 VanDerWaalsContact OG-CB 3.27Å; S432-K451 WeakPolarHBondContact OG-CB 3.39Å
433E97.7Very high91Very high105 Ų10568.7 Ų68.749%0.49135%0.346SS..PPolyproline II helixtrans-67.4153.9174-64.5-175.5-124.600111.6P424 L425 E435P424-E433 HydrophobicContact CB-CG 3.86Å; L425-E433 CarbonylContact O-C 3.58Å; L425-E433 VanDerWaalsContact O-CA 3.3Å; L425-E433 WeakPolarHBondContact O-CA 3.11Å; E433-E435 PolarHBondContact O-N 3.44Å
434L96.9Very high90Very high9 Ų969.6 Ų69.65%0.04736%0.362CS..PPolyproline II helixtrans-64.8124.8167.7-174.572000109.1L411 L425 L427 W436 A448 A450 I455L411-L434 HydrophobicContact CB-CD2 4.16Å; L411-L434 HydrophobicContact CD2-CD2 4.45Å; L425-L434 HydrophobicContact CD2-CB 4.4Å; L425-L434 HydrophobicContact CD2-CD2 3.99Å; L425-L434 HydrophobicContact CG-CB 4.43Å; L425-L434 PolarHBondContact O-N 3.46Å; L427-L434 HydrophobicContact CB-CD1 4.43Å; L427-L434 HydrophobicContact CD1-CD2 4.37Å; L434-W436 HydrophobicContact CD2-CZ2 3.79Å; L434-A448 HydrophobicContact CD1-CB 4.21Å; L434-A448 HydrophobicContact CD2-CB 4.42Å; L434-A448 HydrophobicContact CG-CB 4.5Å; L434-A450 HydrophobicContact CD1-CB 4.14Å; L434-I455 HydrophobicContact CD1-CD1 3.96Å
435E94.5Very high89.2Confident97 Ų9770.1 Ų70.145%0.45337%0.365SS..EExtended strand (participates in β ladder)trans-95.7145.3177.1-66.9-167.3-175.500111.4E433 R437 A448 Q449E433-E435 PolarHBondContact O-N 3.44Å; E435-R437 IonicContact OE2-CZ 3.31Å; E435-R437 IonicContact OE2-NE 2.79Å; E435-R437 IonicContact OE2-NH2 3.55Å; E435-R437 PolarHBondContact OE2-NH2 3.4Å; E435-A448 CarbonylContact O-C 3.54Å; E435-A448 WeakPolarHBondContact O-CA 3.44Å; E435-Q449 HydrophobicContact CB-CB 4.36Å; E435-Q449 PolarHBondContact N-O 3.44Å; E435-Q449 PolarHBondContact O-N 3.15Å
436W93.4Very high88.5Confident59 Ų5973.7 Ų73.722%0.22338%0.38CS..EExtended strand (participates in β ladder)trans-116130.7173.8-66.484.8000110.6V407 L411 R412 Q415 L434 F446 F447 A448V407-W436 HydrophobicContact CG1-CH2 4.49Å; V407-W436 HydrophobicContact CG1-CZ3 4.1Å; V407-W436 WeakPolarHBondContact O-CH2 3.21Å; L411-W436 HydrophobicContact CB-CH2 4Å; L411-W436 HydrophobicContact CB-CZ2 4.03Å; L411-W436 WeakPolarHBondContact O-CZ2 3.42Å; R412-W436 VanDerWaalsContact CA-CH2 3.5Å; R412-W436 HydrophobicContact CB-CH2 3.75Å; R412-W436 HydrophobicContact CB-CZ2 4.4Å; R412-W436 HydrophobicContact CB-CZ3 4.43Å; R412-W436 HydrophobicContact CG-CH2 4.37Å; Q415-W436 HydrophobicContact CB-CZ2 3.8Å; Q415-W436 VanDerWaalsContact CD-NE1 3.25Å; Q415-W436 HydrophobicContact CG-CZ2 4.3Å; Q415-W436 VanDerWaalsContact CG-NE1 3.26Å; L434-W436 HydrophobicContact CD2-CZ2 3.79Å; W436-F446 HydrophobicContact CE3-CB 3.69Å; W436-F446 HydrophobicContact CZ3-CB 4.19Å; W436-F447 WeakPolarHBondContact CA-O 3.28Å; W436-A448 HydrophobicContact CE3-CB 4.25Å; W436-A448 HydrophobicContact CH2-CB 4.11Å; W436-A448 HydrophobicContact CZ2-CB 4.34Å; W436-A448 HydrophobicContact CZ3-CB 4.06Å
437R87Confident88.1Confident136 Ų13674 Ų7451%0.51338%0.384SS..EExtended strand (participates in β ladder)trans-120122.9176-62.3-66178.5168-7.7109.7E435 F446 F447E435-R437 IonicContact OE2-CZ 3.31Å; E435-R437 IonicContact OE2-NE 2.79Å; E435-R437 IonicContact OE2-NH2 3.55Å; E435-R437 PolarHBondContact OE2-NH2 3.4Å; R437-F446 CarbonylContact O-C 3.5Å; R437-F446 WeakPolarHBondContact O-CA 3.36Å; R437-F447 PolarHBondContact N-O 2.64Å; R437-F447 PolarHBondContact O-N 3.02Å
438E84.3Confident87.9Confident105 Ų10574.5 Ų74.549%0.49139%0.388SS..EExtended strand (participates in β ladder)trans-69.6141.3172-169.3168.1-161.400110.5G440 N443 G444 F446E438-G440 PolarHBondContact O-N 2.99Å; E438-N443 WeakPolarHBondContact OE1-CA 3.39Å; E438-G444 PolarHBondContact OE1-N 3.38Å; E438-F446 HydrophobicContact CB-CD1 4.03Å; E438-F446 HydrophobicContact CB-CE1 3.87Å; E438-F446 HydrophobicContact CG-CD1 4.48Å; E438-F446 HydrophobicContact CG-CE1 4.17Å; E438-F446 HydrophobicContact CG-CZ 4.44Å
439H79.6Confident87.8Confident32 Ų3279 Ų7915%0.14841%0.409CS..  trans-64.6122.5175.6-170.9-47.4000110.1F441 K442 V445 F447H439-F441 AromaticContact CE1-CD1 3.62Å; H439-F441 AromaticContact CE1-CE1 3.33Å; H439-F441 WeakPolarHBondContact CE1-CE1 3.41Å; H439-F441 AromaticContact CE1-CE2 3.73Å; H439-F441 AromaticContact CE1-CG 3.97Å; H439-F441 AromaticContact CE1-CZ 3.37Å; H439-F441 WeakPolarHBondContact CE1-CZ 3.34Å; H439-F441 AromaticContact ND1-CD1 3.9Å; H439-F441 PolarHBondContact O-N 3.25Å; H439-K442 HydrophobicContact CB-CB 4.08Å; H439-K442 PolarHBondContact O-N 3.46Å; H439-K442 VanDerWaalsContact O-N 3.17Å; H439-V445 HydrophobicContact CB-CB 4.01Å; H439-V445 HydrophobicContact CB-CG1 4.32Å; H439-V445 VanDerWaalsContact CB-O 3.28Å; H439-V445 WeakPolarHBondContact CB-O 3.09Å; H439-V445 PolarHBondContact N-O 3.3Å; H439-F447 HydrophobicContact CB-CD2 4.43Å; H439-F447 HydrophobicContact CB-CE2 3.74Å; H439-F447 AromaticContact CD2-CE2 3.49Å; H439-F447 VanDerWaalsContact CD2-CE2 3.49Å; H439-F447 WeakPolarHBondContact CD2-CE2 3.44Å; H439-F447 AromaticContact CD2-CZ 3.56Å; H439-F447 AromaticContact CG-CE2 3.78Å
440G75.4Confident87.8Confident84 Ų8478.8 Ų78.887%0.86641%0.409SS*.THydrogen-bonded Turntrans-60.1-4.3-168.900000118.4E438E438-G440 PolarHBondContact O-N 2.99Å
441F77.3Confident87.9Confident157 Ų15776.1 Ų76.169%0.68939%0.392SS*.THydrogen-bonded Turntrans-146.1-0.3174.364.3-102.1000114H439H439-F441 AromaticContact CE1-CD1 3.62Å; H439-F441 AromaticContact CE1-CE1 3.33Å; H439-F441 WeakPolarHBondContact CE1-CE1 3.41Å; H439-F441 AromaticContact CE1-CE2 3.73Å; H439-F441 AromaticContact CE1-CG 3.97Å; H439-F441 AromaticContact CE1-CZ 3.37Å; H439-F441 WeakPolarHBondContact CE1-CZ 3.34Å; H439-F441 AromaticContact ND1-CD1 3.9Å; H439-F441 PolarHBondContact O-N 3.25Å
442K75.9Confident88Confident108 Ų10871.7 Ų71.747%0.4737%0.368SS..SBendtrans-120.488.1179.2-63.8-175.4-173.1169.70108.7H439 G444 V445H439-K442 HydrophobicContact CB-CB 4.08Å; H439-K442 PolarHBondContact O-N 3.46Å; H439-K442 VanDerWaalsContact O-N 3.17Å; K442-G444 PolarHBondContact O-N 2.95Å; K442-V445 HydrophobicContact CB-CB 4.36Å; K442-V445 HydrophobicContact CB-CG2 4.14Å; K442-V445 PolarHBondContact O-N 2.69Å
443N78.7Confident88.1Confident142 Ų14270.7 Ų70.776%0.75936%0.36SS*.THydrogen-bonded Turntrans-55138.5-177.9-60.16.7000111.1E438 V445E438-N443 WeakPolarHBondContact OE1-CA 3.39Å; N443-V445 VanDerWaalsContact C-N 3.28Å; N443-V445 PolarHBondContact O-N 3.5Å
444G77.8Confident88.2Confident47 Ų4765.7 Ų65.749%0.48534%0.337SS..THydrogen-bonded Turntrans79.70178.900000115.7E438 K442E438-G444 PolarHBondContact OE1-N 3.38Å; K442-G444 PolarHBondContact O-N 2.95Å
445V79.4Confident88.3Confident54 Ų5465.6 Ų65.633%0.32734%0.337SS..  trans-98.2119.9168.2-178.20000108.3H439 K442 N443H439-V445 HydrophobicContact CB-CB 4.01Å; H439-V445 HydrophobicContact CB-CG1 4.32Å; H439-V445 VanDerWaalsContact CB-O 3.28Å; H439-V445 WeakPolarHBondContact CB-O 3.09Å; H439-V445 PolarHBondContact N-O 3.3Å; K442-V445 HydrophobicContact CB-CB 4.36Å; K442-V445 HydrophobicContact CB-CG2 4.14Å; K442-V445 PolarHBondContact O-N 2.69Å; N443-V445 VanDerWaalsContact C-N 3.28Å; N443-V445 PolarHBondContact O-N 3.5Å
446F84.3Confident88.4Confident76 Ų7661 Ų6133%0.33332%0.315SS..EExtended strand (participates in β ladder)trans-113.6146.2178.6-61.4-97.6000111.2Q408 W436 R437 E438Q408-F446 PolarHBondContact NE2-O 2.96Å; W436-F446 HydrophobicContact CE3-CB 3.69Å; W436-F446 HydrophobicContact CZ3-CB 4.19Å; R437-F446 CarbonylContact O-C 3.5Å; R437-F446 WeakPolarHBondContact O-CA 3.36Å; E438-F446 HydrophobicContact CB-CD1 4.03Å; E438-F446 HydrophobicContact CB-CE1 3.87Å; E438-F446 HydrophobicContact CG-CD1 4.48Å; E438-F446 HydrophobicContact CG-CE1 4.17Å; E438-F446 HydrophobicContact CG-CZ 4.44Å
447F89.1Confident88.6Confident108 Ų10858.9 Ų58.947%0.47431%0.308SS..EExtended strand (participates in β ladder)trans-104.6133.8168.7-61.7-82.6000108.9W436 R437 H439W436-F447 WeakPolarHBondContact CA-O 3.28Å; R437-F447 PolarHBondContact N-O 2.64Å; R437-F447 PolarHBondContact O-N 3.02Å; H439-F447 HydrophobicContact CB-CD2 4.43Å; H439-F447 HydrophobicContact CB-CE2 3.74Å; H439-F447 AromaticContact CD2-CE2 3.49Å; H439-F447 VanDerWaalsContact CD2-CE2 3.49Å; H439-F447 WeakPolarHBondContact CD2-CE2 3.44Å; H439-F447 AromaticContact CD2-CZ 3.56Å; H439-F447 AromaticContact CG-CE2 3.78Å
448A94.6Very high89.1Confident9 Ų952.4 Ų52.47%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-88.5142169.900000109.5V407 L411 L434 E435 W436 I455V407-A448 HydrophobicContact CG1-CB 4.02Å; L411-A448 HydrophobicContact CD1-CB 3.9Å; L434-A448 HydrophobicContact CD1-CB 4.21Å; L434-A448 HydrophobicContact CD2-CB 4.42Å; L434-A448 HydrophobicContact CG-CB 4.5Å; E435-A448 CarbonylContact O-C 3.54Å; E435-A448 WeakPolarHBondContact O-CA 3.44Å; W436-A448 HydrophobicContact CE3-CB 4.25Å; W436-A448 HydrophobicContact CH2-CB 4.11Å; W436-A448 HydrophobicContact CZ2-CB 4.34Å; W436-A448 HydrophobicContact CZ3-CB 4.06Å; A448-I455 HydrophobicContact CB-CD1 3.9Å
449Q94.8Very high89.6Confident97 Ų9748.5 Ų48.545%0.45327%0.266SS..EExtended strand (participates in β ladder)trans-133.9124.9176.3-65.5-173.5-44.500109.7E435E435-Q449 HydrophobicContact CB-CB 4.36Å; E435-Q449 PolarHBondContact N-O 3.44Å; E435-Q449 PolarHBondContact O-N 3.15Å
450A97.5Very high90.2Very high4 Ų450.9 Ų50.93%0.03328%0.277CS..BIsolated β-bridgetrans-111.1118.7173.300000108.8I401 L427 L434 G452 R453 I455I401-A450 HydrophobicContact CD1-CB 4.36Å; L427-A450 WeakPolarHBondContact O-CB 3.22Å; L434-A450 HydrophobicContact CD1-CB 4.14Å; A450-G452 PolarHBondContact O-N 3.23Å; A450-R453 HydrophobicContact CB-CB 4.07Å; A450-R453 PolarHBondContact O-N 2.99Å; A450-R453 VanDerWaalsContact O-N 3.07Å; A450-I455 HydrophobicContact CB-CD1 4Å; A450-I455 HydrophobicContact CB-CG1 4.36Å
451K97.2Very high91.1Very high48 Ų4846.9 Ų46.921%0.20924%0.236CC..THydrogen-bonded Turntrans-53.2126.9179.4-175.1-179.9176.5-174.50109.7R429 D430 S432 R453R429-K451 WeakPolarHBondContact CB-O 3.17Å; R429-K451 PolarHBondContact N-O 2.97Å; D430-K451 HydrophobicContact CB-CD 4.47Å; D430-K451 IonicContact OD2-NZ 2.72Å; D430-K451 PolarHBondContact OD2-NZ 3.17Å; S432-K451 VanDerWaalsContact OG-CB 3.27Å; S432-K451 WeakPolarHBondContact OG-CB 3.39Å; K451-R453 VanDerWaalsContact C-N 3.26Å; K451-R453 PolarHBondContact O-N 2.69Å
452G97.6Very high91.9Very high0 Ų039.4 Ų39.40%020%0.203CC..THydrogen-bonded Turntrans75.63.3176.700000116.5T190 R429 A450T190-G452 VanDerWaalsContact OG1-CA 3.25Å; T190-G452 WeakPolarHBondContact OG1-CA 3.46Å; T190-G452 PolarHBondContact OG1-N 3.04Å; R429-G452 PolarHBondContact NH1-O 2.89Å; A450-G452 PolarHBondContact O-N 3.23Å
453R98.6Very high92.5Very high7 Ų738.4 Ų38.43%0.02620%0.199CC..BIsolated β-bridgetrans-132.2147.1-178.3-56.5-174.7175.2127.7-2.3111.3T190 F393 D397 P398 D399 L427 G428 R429 A450 K451T190-R453 VanDerWaalsContact CG2-O 3.27Å; T190-R453 WeakPolarHBondContact CG2-O 3.49Å; F393-R453 PolarHBondContact O-NH2 3.39Å; D397-R453 IonicContact OD1-CZ 2.7Å; D397-R453 IonicContact OD1-NE 2.86Å; D397-R453 PolarHBondContact OD1-NE 3.5Å; D397-R453 IonicContact OD1-NH2 3.52Å; D397-R453 PolarHBondContact OD1-NH2 3.3Å; P398-R453 WeakPolarHBondContact O-CD 2.96Å; P398-R453 WeakPolarHBondContact O-CG 3.48Å; P398-R453 PolarHBondContact O-NE 2.83Å; D399-R453 CarbonylContact O-C 3.25Å; D399-R453 VanDerWaalsContact O-CA 3.31Å; D399-R453 WeakPolarHBondContact O-CA 3.37Å; L427-R453 WeakPolarHBondContact O-CD 3.31Å; L427-R453 PolarHBondContact O-NH1 2.92Å; G428-R453 PolarHBondContact O-NH1 3.35Å; R429-R453 HydrophobicContact CG-CG 4.17Å; A450-R453 HydrophobicContact CB-CB 4.07Å; A450-R453 PolarHBondContact O-N 2.99Å; A450-R453 VanDerWaalsContact O-N 3.07Å; K451-R453 VanDerWaalsContact C-N 3.26Å; K451-R453 PolarHBondContact O-N 2.69Å
454L98.4Very high92.9Very high0 Ų032.7 Ų32.70%017%0.17CC..EExtended strand (participates in β ladder)trans-86.2146.5171.3-61.9179000110.1L189 D399 V400 I401 I456 M530 V544L189-L454 HydrophobicContact CB-CD2 4.21Å; L189-L454 HydrophobicContact CB-CG 4.31Å; L189-L454 HydrophobicContact CD2-CD1 3.87Å; L189-L454 HydrophobicContact CD2-CG 4.04Å; L189-L454 VanDerWaalsContact O-CD2 3.28Å; L189-L454 WeakPolarHBondContact O-CD2 3.38Å; D399-L454 PolarHBondContact O-N 3.48Å; V400-L454 WeakPolarHBondContact CA-O 3.44Å; V400-L454 HydrophobicContact CG1-CB 4.13Å; V400-L454 HydrophobicContact CG2-CB 4.33Å; V400-L454 HydrophobicContact CG2-CD1 4.29Å; I401-L454 PolarHBondContact N-O 3.49Å; L454-I456 HydrophobicContact CB-CD1 4.32Å; L454-I456 HydrophobicContact CB-CG1 4.42Å; L454-M530 HydrophobicContact CD1-CE 4.38Å; L454-V544 HydrophobicContact CD1-CB 3.65Å; L454-V544 HydrophobicContact CD1-CG1 3.76Å; L454-V544 HydrophobicContact CD1-CG2 3.96Å; L454-V544 HydrophobicContact CD2-CB 3.96Å; L454-V544 HydrophobicContact CD2-CG2 4.37Å; L454-V544 HydrophobicContact CG-CB 4.45Å
455I98.4Very high93.2Very high8 Ų831.1 Ų31.14%0.04115%0.152CC..EExtended strand (participates in β ladder)trans-120.9111.3172.9-57.3177000108.6I401 V406 V407 L411 L434 A448 A450 D545I401-I455 HydrophobicContact CB-CG1 4.42Å; I401-I455 HydrophobicContact CD1-CG1 4.32Å; I401-I455 WeakPolarHBondContact O-CA 3.47Å; V406-I455 HydrophobicContact CG1-CG2 4.16Å; V407-I455 HydrophobicContact CG2-CG2 3.73Å; L411-I455 HydrophobicContact CD1-CD1 3.97Å; L411-I455 HydrophobicContact CD1-CG2 3.77Å; L434-I455 HydrophobicContact CD1-CD1 3.96Å; A448-I455 HydrophobicContact CB-CD1 3.9Å; A450-I455 HydrophobicContact CB-CD1 4Å; A450-I455 HydrophobicContact CB-CG1 4.36Å; I455-D545 WeakPolarHBondContact O-CB 3.46Å
456I98.3Very high93.4Very high0 Ų034.2 Ų34.20%016%0.161CC..EExtended strand (participates in β ladder)trans-117.7109-173.3-48.7-62.2000110.3V400 I401 I402 L454 A461 F524 M530 L533 D545V400-I456 HydrophobicContact CG1-CB 4.44Å; V400-I456 HydrophobicContact CG1-CG1 3.68Å; I401-I456 PolarHBondContact O-N 3.34Å; I402-I456 WeakPolarHBondContact CA-O 3.46Å; I402-I456 HydrophobicContact CG2-CB 4.3Å; L454-I456 HydrophobicContact CB-CD1 4.32Å; L454-I456 HydrophobicContact CB-CG1 4.42Å; I456-A461 HydrophobicContact CG2-CB 3.76Å; I456-F524 HydrophobicContact CB-CE1 4.08Å; I456-F524 HydrophobicContact CB-CZ 4.35Å; I456-F524 HydrophobicContact CG2-CE1 3.64Å; I456-F524 HydrophobicContact CG2-CZ 3.85Å; I456-M530 HydrophobicContact CG1-SD 3.95Å; I456-L533 HydrophobicContact CD1-CD1 4.13Å; I456-L533 HydrophobicContact CG1-CD1 4.5Å; I456-L533 HydrophobicContact CG2-CD1 3.7Å; I456-D545 HydrophobicContact CD1-CB 3.58Å
457D97.4Very high93.6Very high15 Ų1535 Ų358%0.0816%0.163CC..EExtended strand (participates in β ladder)trans-78.3119.8168177.116000110.2N405 V406 I459 E460 A461N405-D457 VanDerWaalsContact CA-OD1 3.3Å; N405-D457 WeakPolarHBondContact CA-OD1 3.17Å; N405-D457 PolarHBondContact N-OD1 3.31Å; V406-D457 HydrophobicContact CG1-CB 4.03Å; D457-I459 PolarHBondContact O-N 3.13Å; D457-I459 PolarHBondContact OD1-N 2.9Å; D457-E460 PolarHBondContact O-N 3.35Å; D457-A461 VanDerWaalsContact O-CB 3.3Å; D457-A461 WeakPolarHBondContact O-CB 3.39Å; D457-A461 PolarHBondContact O-N 3.03Å
458G96.8Very high93.4Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-54.8-36.4-179.400000113.6G403 L462 F524G403-G458 PolarHBondContact O-N 2.89Å; G458-L462 VanDerWaalsContact O-CB 3.29Å; G458-L462 WeakPolarHBondContact O-CB 3.02Å; G458-L462 WeakPolarHBondContact O-CD1 3.33Å; G458-L462 WeakPolarHBondContact O-CG 3.4Å; G458-L462 PolarHBondContact O-N 2.96Å; G458-F524 VanDerWaalsContact CA-CE2 3.48Å
459I94.9Very high93Very high22 Ų2236.2 Ų36.211%0.11317%0.172CC..Hα-helixtrans-64.5-52.3-179-63.2177.7000110.9W404 N405 D457 K463 F472W404-I459 HydrophobicContact CD2-CG1 3.96Å; W404-I459 VanDerWaalsContact CE2-CG1 3.49Å; W404-I459 HydrophobicContact CG-CD1 4.49Å; W404-I459 HydrophobicContact CG-CG1 4.27Å; W404-I459 HydrophobicContact CZ2-CG1 3.81Å; N405-I459 HydrophobicContact CB-CD1 4.03Å; D457-I459 PolarHBondContact O-N 3.13Å; D457-I459 PolarHBondContact OD1-N 2.9Å; I459-K463 HydrophobicContact CG2-CD 4.28Å; I459-K463 VanDerWaalsContact CG2-CE 3.42Å; I459-K463 VanDerWaalsContact CG2-NZ 3.28Å; I459-K463 VanDerWaalsContact O-CG 3.29Å; I459-K463 WeakPolarHBondContact O-CG 3.39Å; I459-K463 PolarHBondContact O-N 3.32Å; I459-K463 VanDerWaalsContact O-N 3.12Å; I459-F472 HydrophobicContact CG1-CB 4.47Å; I459-F472 HydrophobicContact CG2-CB 4.08Å; I459-F472 HydrophobicContact CG2-CD1 4Å; I459-F472 HydrophobicContact CG2-CG 4.21Å
460E93.1Very high92.3Very high82 Ų8234.7 Ų34.738%0.38317%0.172SC..Hα-helixtrans-72.5-35-177.2-65.7-58.6121.900111.6D457 K463 S464D457-E460 PolarHBondContact O-N 3.35Å; E460-K463 IonicContact OE1-NZ 3.47Å; E460-K463 PolarHBondContact OE1-NZ 3.41Å; E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.36Å; E460-S464 PolarHBondContact O-N 3.24Å; E460-S464 PolarHBondContact O-OG 3.36Å
461A94.2Very high91.6Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-59.1-53.6173.300000111.5I456 D457 K463 S464 A465 I529 L533 H547I456-A461 HydrophobicContact CG2-CB 3.76Å; D457-A461 VanDerWaalsContact O-CB 3.3Å; D457-A461 WeakPolarHBondContact O-CB 3.39Å; D457-A461 PolarHBondContact O-N 3.03Å; A461-K463 PolarHBondContact O-N 3.12Å; A461-S464 WeakPolarHBondContact O-CB 3.2Å; A461-S464 PolarHBondContact O-N 3.33Å; A461-S464 VanDerWaalsContact O-N 3.08Å; A461-S464 PolarHBondContact O-OG 2.74Å; A461-A465 PolarHBondContact O-N 3.11Å; A461-A465 VanDerWaalsContact O-N 3.1Å; A461-I529 HydrophobicContact CB-CD1 4.23Å; A461-I529 HydrophobicContact CB-CG1 3.71Å; A461-L533 HydrophobicContact CB-CD1 4.13Å; A461-H547 VanDerWaalsContact CA-CE1 3.49Å; A461-H547 WeakPolarHBondContact CA-CE1 3.33Å
462L92.5Very high91.2Very high1 Ų135.4 Ų35.41%0.00518%0.178CC..Hα-helixtrans-62.1-43.8-179.9-72.9173.2000112.7W404 G458 S464 A465 F466 W467 F469 F472 V477 I523 T527 I529W404-L462 HydrophobicContact CH2-CD1 3.47Å; W404-L462 VanDerWaalsContact CH2-CD1 3.47Å; W404-L462 HydrophobicContact CZ3-CD1 3.83Å; G458-L462 VanDerWaalsContact O-CB 3.29Å; G458-L462 WeakPolarHBondContact O-CB 3.02Å; G458-L462 WeakPolarHBondContact O-CD1 3.33Å; G458-L462 WeakPolarHBondContact O-CG 3.4Å; G458-L462 PolarHBondContact O-N 2.96Å; L462-S464 PolarHBondContact O-N 2.93Å; L462-A465 CarbonylContact O-C 3.23Å; L462-A465 WeakPolarHBondContact O-CA 3.3Å; L462-A465 PolarHBondContact O-N 3.18Å; L462-A465 VanDerWaalsContact O-N 3.08Å; L462-F466 PolarHBondContact O-N 3.1Å; L462-F466 VanDerWaalsContact O-N 3.13Å; L462-W467 HydrophobicContact CB-CB 4.02Å; L462-W467 HydrophobicContact CB-CG 4.46Å; L462-W467 HydrophobicContact CD2-CB 4.24Å; L462-W467 HydrophobicContact CD2-CD2 4.43Å; L462-W467 HydrophobicContact CD2-CG 3.84Å; L462-W467 PolarHBondContact O-N 3.02Å; L462-F469 HydrophobicContact CD1-CE2 4.15Å; L462-F472 HydrophobicContact CB-CE1 4.11Å; L462-V477 HydrophobicContact CD1-CG1 4.31Å; L462-I523 HydrophobicContact CD1-CG2 3.9Å; L462-T527 HydrophobicContact CD2-CG2 3.71Å; L462-I529 HydrophobicContact CD2-CD1 4.45Å
463K89.9Confident90.9Very high87 Ų8737.4 Ų37.438%0.37819%0.192SC..Hα-helixtrans-58.4-39.6173.4-73.7174.1-166.8161.80111.8I459 E460 A461 A465 F466 F472I459-K463 HydrophobicContact CG2-CD 4.28Å; I459-K463 VanDerWaalsContact CG2-CE 3.42Å; I459-K463 VanDerWaalsContact CG2-NZ 3.28Å; I459-K463 VanDerWaalsContact O-CG 3.29Å; I459-K463 WeakPolarHBondContact O-CG 3.39Å; I459-K463 PolarHBondContact O-N 3.32Å; I459-K463 VanDerWaalsContact O-N 3.12Å; E460-K463 IonicContact OE1-NZ 3.47Å; E460-K463 PolarHBondContact OE1-NZ 3.41Å; A461-K463 PolarHBondContact O-N 3.12Å; K463-A465 PolarHBondContact O-N 2.74Å; K463-F466 WeakPolarHBondContact O-CA 3.49Å; K463-F466 PolarHBondContact O-N 3.36Å; K463-F472 HydrophobicContact CD-CZ 4.49Å; K463-F472 HydrophobicContact CG-CD1 4.41Å; K463-F472 HydrophobicContact CG-CE1 3.67Å; K463-F472 HydrophobicContact CG-CE2 4.07Å; K463-F472 HydrophobicContact CG-CZ 3.46Å; K463-F472 VanDerWaalsContact CG-CZ 3.46Å
464S86.4Confident90.6Very high22 Ų2237.8 Ų37.815%0.15420%0.195CC..Hα-helixtrans-70-20.5179.480.30000113.4E460 A461 L462 R536 H547E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.36Å; E460-S464 PolarHBondContact O-N 3.24Å; E460-S464 PolarHBondContact O-OG 3.36Å; A461-S464 WeakPolarHBondContact O-CB 3.2Å; A461-S464 PolarHBondContact O-N 3.33Å; A461-S464 VanDerWaalsContact O-N 3.08Å; A461-S464 PolarHBondContact O-OG 2.74Å; L462-S464 PolarHBondContact O-N 2.93Å; S464-R536 PolarHBondContact OG-NH1 2.92Å; S464-H547 PolarHBondContact OG-ND1 2.76Å
465A85.1Confident90.2Very high14 Ų1438.5 Ų38.512%0.11620%0.198CC..THydrogen-bonded Turntrans-93.67.1169.200000113.3A461 L462 K463 W467 I529 F532A461-A465 PolarHBondContact O-N 3.11Å; A461-A465 VanDerWaalsContact O-N 3.1Å; L462-A465 CarbonylContact O-C 3.23Å; L462-A465 WeakPolarHBondContact O-CA 3.3Å; L462-A465 PolarHBondContact O-N 3.18Å; L462-A465 VanDerWaalsContact O-N 3.08Å; K463-A465 PolarHBondContact O-N 2.74Å; A465-W467 PolarHBondContact O-N 3.17Å; A465-I529 HydrophobicContact CB-CD1 3.61Å; A465-F532 HydrophobicContact CB-CD1 3.74Å; A465-F532 HydrophobicContact CB-CD2 4.4Å; A465-F532 HydrophobicContact CB-CE1 3.57Å; A465-F532 HydrophobicContact CB-CE2 4.25Å; A465-F532 HydrophobicContact CB-CG 4.16Å; A465-F532 HydrophobicContact CB-CZ 3.84Å
466F83.5Confident89.7Confident118 Ų11839.4 Ų39.452%0.51820%0.204SC..THydrogen-bonded Turntrans60.321.8-178.1-44.4-77.8000116.7L462 K463 N468 Q671 I675L462-F466 PolarHBondContact O-N 3.1Å; L462-F466 VanDerWaalsContact O-N 3.13Å; K463-F466 WeakPolarHBondContact O-CA 3.49Å; K463-F466 PolarHBondContact O-N 3.36Å; F466-N468 PolarHBondContact O-N 3.48Å; F466-Q671 HydrophobicContact CD2-CG 4.23Å; F466-Q671 HydrophobicContact CE2-CG 4.33Å; F466-I675 HydrophobicContact CD2-CD1 3.94Å; F466-I675 HydrophobicContact CD2-CG1 4.39Å; F466-I675 HydrophobicContact CE2-CB 4.48Å; F466-I675 HydrophobicContact CE2-CD1 3.01Å; F466-I675 HydrophobicContact CE2-CG1 3.16Å; F466-I675 HydrophobicContact CZ-CB 4.33Å; F466-I675 HydrophobicContact CZ-CD1 3.38Å; F466-I675 HydrophobicContact CZ-CG1 3.37Å; F466-I675 HydrophobicContact CZ-CG2 4.11Å
467W87.4Confident89.5Confident94 Ų9439.4 Ų39.436%0.35620%0.204SC..  trans-60.2140.1161-69.988.7000108.8L462 A465 F469 F472 L481 T527L462-W467 HydrophobicContact CB-CB 4.02Å; L462-W467 HydrophobicContact CB-CG 4.46Å; L462-W467 HydrophobicContact CD2-CB 4.24Å; L462-W467 HydrophobicContact CD2-CD2 4.43Å; L462-W467 HydrophobicContact CD2-CG 3.84Å; L462-W467 PolarHBondContact O-N 3.02Å; A465-W467 PolarHBondContact O-N 3.17Å; W467-F469 HydrophobicContact CB-CE2 3.68Å; W467-F469 HydrophobicContact CB-CZ 3.92Å; W467-F469 HydrophobicContact CD2-CZ 4.27Å; W467-F469 HydrophobicContact CE3-CE1 4.23Å; W467-F469 AromaticContact CE3-CZ 3.72Å; W467-F469 HydrophobicContact CE3-CZ 3.72Å; W467-F469 HydrophobicContact CG-CZ 4.39Å; W467-F472 WeakPolarHBondContact O-CZ 3.28Å; W467-L481 HydrophobicContact CE3-CD2 4.02Å; W467-L481 HydrophobicContact CH2-CD2 4.18Å; W467-L481 HydrophobicContact CZ3-CD2 3.48Å; W467-L481 VanDerWaalsContact CZ3-CD2 3.48Å; W467-T527 HydrophobicContact CD2-CG2 4.22Å; W467-T527 HydrophobicContact CH2-CG2 4.04Å; W467-T527 HydrophobicContact CZ2-CG2 3.69Å; W467-T527 HydrophobicContact CZ3-CG2 4.45Å
468N84.9Confident89.3Confident123 Ų12338.7 Ų38.766%0.65820%0.2SC*.  trans-140.7131.8-179.7-163.817.9000107.8F466F466-N468 PolarHBondContact O-N 3.48Å
469F86.8Confident89Confident19 Ų1943.2 Ų43.28%0.08322%0.221CC..  trans-128.8164.8-176.4-57.6-77.2000108.5L462 W467 S471 F472 V477 E480 L481L462-F469 HydrophobicContact CD1-CE2 4.15Å; W467-F469 HydrophobicContact CB-CE2 3.68Å; W467-F469 HydrophobicContact CB-CZ 3.92Å; W467-F469 HydrophobicContact CD2-CZ 4.27Å; W467-F469 HydrophobicContact CE3-CE1 4.23Å; W467-F469 AromaticContact CE3-CZ 3.72Å; W467-F469 HydrophobicContact CE3-CZ 3.72Å; W467-F469 HydrophobicContact CG-CZ 4.39Å; F469-S471 VanDerWaalsContact C-N 3.26Å; F469-S471 VanDerWaalsContact CB-O 3.29Å; F469-S471 WeakPolarHBondContact CB-O 3.33Å; F469-S471 PolarHBondContact O-N 3.32Å; F469-F472 HydrophobicContact CD2-CD1 4.06Å; F469-F472 AromaticContact CD2-CE1 3.72Å; F469-F472 HydrophobicContact CD2-CE1 3.72Å; F469-F472 HydrophobicContact CD2-CE2 4.34Å; F469-F472 AromaticContact CD2-CZ 3.88Å; F469-F472 HydrophobicContact CD2-CZ 3.88Å; F469-F472 HydrophobicContact CE2-CE1 4.04Å; F469-F472 HydrophobicContact CE2-CZ 4.44Å; F469-V477 HydrophobicContact CB-CG2 4.28Å; F469-V477 HydrophobicContact CD1-CG1 4.48Å; F469-V477 HydrophobicContact CD1-CG2 4.31Å; F469-V477 HydrophobicContact CD2-CG1 4.37Å; F469-V477 HydrophobicContact CD2-CG2 3.66Å; F469-V477 HydrophobicContact CE1-CG1 4.08Å; F469-V477 HydrophobicContact CE2-CG1 3.93Å; F469-V477 HydrophobicContact CE2-CG2 4.04Å; F469-V477 HydrophobicContact CG-CG2 3.81Å; F469-V477 HydrophobicContact CZ-CG1 3.79Å; F469-E480 HydrophobicContact CD1-CB 4.17Å; F469-E480 WeakPolarHBondContact CD1-OE2 3.28Å; F469-L481 HydrophobicContact CE1-CD1 4.09Å; F469-L481 HydrophobicContact CE1-CD2 3.74Å; F469-L481 HydrophobicContact CE1-CG 3.7Å; F469-L481 HydrophobicContact CZ-CD1 3.83Å; F469-L481 HydrophobicContact CZ-CD2 4.06Å; F469-L481 HydrophobicContact CZ-CG 3.97Å
470S79.2Confident88.9Confident65 Ų6546.8 Ų46.846%0.45524%0.237SC..SBendtrans-57.8-45.8170.464.70000109.5T476 E480 R866S470-T476 WeakPolarHBondContact OG-CG2 3.47Å; S470-E480 WeakPolarHBondContact CB-OE1 3.43Å; S470-E480 PolarHBondContact N-OE1 3.13Å; S470-E480 PolarHBondContact OG-OE1 3.37Å; S470-R866 VanDerWaalsContact C-NH1 3.31Å; S470-R866 PolarHBondContact O-NH1 3.41Å; S470-R866 PolarHBondContact O-NH2 3.2Å
471S83.8Confident88.9Confident33 Ų3343.9 Ų43.923%0.23123%0.225CC..  trans-137.4150.1172.5-173.30000110.1F469 S473F469-S471 VanDerWaalsContact C-N 3.26Å; F469-S471 VanDerWaalsContact CB-O 3.29Å; F469-S471 WeakPolarHBondContact CB-O 3.33Å; F469-S471 PolarHBondContact O-N 3.32Å; S471-S473 VanDerWaalsContact C-N 3.26Å; S471-S473 VanDerWaalsContact CB-OG 3.31Å; S471-S473 WeakPolarHBondContact CB-OG 3.4Å; S471-S473 PolarHBondContact O-N 3.17Å; S471-S473 PolarHBondContact OG-N 3.14Å; S471-S473 PolarHBondContact OG-OG 3.41Å
472F89.4Confident88.9Confident33 Ų3345.7 Ų45.715%0.14523%0.234CC..  trans-92.223.3172.4-81.4-94.8000111.9W404 I459 L462 K463 W467 F469W404-F472 WeakPolarHBondContact CZ2-O 3.44Å; W404-F472 PolarHBondContact NE1-O 3.06Å; I459-F472 HydrophobicContact CG1-CB 4.47Å; I459-F472 HydrophobicContact CG2-CB 4.08Å; I459-F472 HydrophobicContact CG2-CD1 4Å; I459-F472 HydrophobicContact CG2-CG 4.21Å; L462-F472 HydrophobicContact CB-CE1 4.11Å; K463-F472 HydrophobicContact CD-CZ 4.49Å; K463-F472 HydrophobicContact CG-CD1 4.41Å; K463-F472 HydrophobicContact CG-CE1 3.67Å; K463-F472 HydrophobicContact CG-CE2 4.07Å; K463-F472 HydrophobicContact CG-CZ 3.46Å; K463-F472 VanDerWaalsContact CG-CZ 3.46Å; W467-F472 WeakPolarHBondContact O-CZ 3.28Å; F469-F472 HydrophobicContact CD2-CD1 4.06Å; F469-F472 AromaticContact CD2-CE1 3.72Å; F469-F472 HydrophobicContact CD2-CE1 3.72Å; F469-F472 HydrophobicContact CD2-CE2 4.34Å; F469-F472 AromaticContact CD2-CZ 3.88Å; F469-F472 HydrophobicContact CD2-CZ 3.88Å; F469-F472 HydrophobicContact CE2-CE1 4.04Å; F469-F472 HydrophobicContact CE2-CZ 4.44Å
473S90.3Very high88.7Confident42 Ų4248.1 Ų48.129%0.29426%0.259SS..SBendtrans-68.6141.9165.627.10000109.3S471 E475 T476 V477S471-S473 VanDerWaalsContact C-N 3.26Å; S471-S473 VanDerWaalsContact CB-OG 3.31Å; S471-S473 WeakPolarHBondContact CB-OG 3.4Å; S471-S473 PolarHBondContact O-N 3.17Å; S471-S473 PolarHBondContact OG-N 3.14Å; S471-S473 PolarHBondContact OG-OG 3.41Å; S473-E475 PolarHBondContact O-N 3.26Å; S473-T476 PolarHBondContact O-N 2.97Å; S473-T476 PolarHBondContact OG-OG1 3.44Å; S473-V477 PolarHBondContact O-N 3.04Å
474L93Very high88Confident15 Ų1547.7 Ų47.78%0.07926%0.258CS..Hα-helixtrans-53.1-43.8-178.8179.858.7000111.5W404 T476 V477 A478 D516 L519 V520 I523W404-L474 HydrophobicContact CD2-CB 4.34Å; W404-L474 HydrophobicContact CD2-CD1 3.99Å; W404-L474 HydrophobicContact CE3-CD1 4.12Å; W404-L474 HydrophobicContact CG-CB 4.02Å; W404-L474 HydrophobicContact CG-CD1 4.2Å; L474-T476 PolarHBondContact O-N 2.99Å; L474-V477 PolarHBondContact O-N 3.17Å; L474-A478 WeakPolarHBondContact O-CB 3.43Å; L474-A478 PolarHBondContact O-N 3.39Å; L474-D516 HydrophobicContact CD2-CB 3.98Å; L474-L519 HydrophobicContact CD1-CB 4.2Å; L474-L519 HydrophobicContact CD2-CB 4.48Å; L474-L519 HydrophobicContact CG-CB 4.49Å; L474-V520 HydrophobicContact CD1-CG2 3.79Å; L474-V520 HydrophobicContact CD2-CG2 4.15Å; L474-I523 HydrophobicContact CD1-CD1 3.6Å
475E88.4Confident86.9Confident16 Ų1648.7 Ų48.78%0.07527%0.273CS..Hα-helixtrans-53.6-52.1174.2172.6174.4-154.900113.8S473 V477 A478 Q479 K486 R494S473-E475 PolarHBondContact O-N 3.26Å; E475-V477 VanDerWaalsContact C-N 3.35Å; E475-V477 PolarHBondContact O-N 3.19Å; E475-A478 PolarHBondContact O-N 3.28Å; E475-Q479 VanDerWaalsContact O-CB 3.31Å; E475-Q479 WeakPolarHBondContact O-CB 3.48Å; E475-Q479 PolarHBondContact O-N 3.36Å; E475-K486 HydrophobicContact CB-CB 4.15Å; E475-K486 HydrophobicContact CB-CD 4.04Å; E475-K486 HydrophobicContact CB-CG 4.02Å; E475-K486 HydrophobicContact CG-CB 3.84Å; E475-K486 HydrophobicContact CG-CG 4.21Å; E475-R494 IonicContact OE1-NH2 2.81Å; E475-R494 IonicContact OE2-CZ 3.13Å; E475-R494 IonicContact OE2-NH2 2.66Å; E475-R494 PolarHBondContact OE2-NH2 3.15Å
476T89.4Confident85.8Confident26 Ų2649.7 Ų49.716%0.1627%0.274CS..Hα-helixtrans-66.8-41.1-176.8-55.30000111S470 S473 L474 Q479 E480S470-T476 WeakPolarHBondContact OG-CG2 3.47Å; S473-T476 PolarHBondContact O-N 2.97Å; S473-T476 PolarHBondContact OG-OG1 3.44Å; L474-T476 PolarHBondContact O-N 2.99Å; T476-Q479 PolarHBondContact O-N 3.21Å; T476-E480 HydrophobicContact CG2-CG 4.46Å; T476-E480 WeakPolarHBondContact CG2-OE1 3.38Å; T476-E480 WeakPolarHBondContact O-CB 3.37Å; T476-E480 WeakPolarHBondContact O-CG 3.42Å; T476-E480 PolarHBondContact O-N 3.45Å
477V92.8Very high84.6Confident0 Ų049 Ų490%028%0.284CS..Hα-helixtrans-69.4-40.6178.4-179.70000111.1W404 L462 F469 S473 L474 E475 L481 I523W404-V477 HydrophobicContact CH2-CB 3.99Å; W404-V477 HydrophobicContact CH2-CG1 3.86Å; W404-V477 HydrophobicContact CH2-CG2 3.94Å; W404-V477 HydrophobicContact CZ2-CB 4.02Å; W404-V477 HydrophobicContact CZ2-CG1 4.39Å; W404-V477 HydrophobicContact CZ2-CG2 3.67Å; L462-V477 HydrophobicContact CD1-CG1 4.31Å; F469-V477 HydrophobicContact CB-CG2 4.28Å; F469-V477 HydrophobicContact CD1-CG1 4.48Å; F469-V477 HydrophobicContact CD1-CG2 4.31Å; F469-V477 HydrophobicContact CD2-CG1 4.37Å; F469-V477 HydrophobicContact CD2-CG2 3.66Å; F469-V477 HydrophobicContact CE1-CG1 4.08Å; F469-V477 HydrophobicContact CE2-CG1 3.93Å; F469-V477 HydrophobicContact CE2-CG2 4.04Å; F469-V477 HydrophobicContact CG-CG2 3.81Å; F469-V477 HydrophobicContact CZ-CG1 3.79Å; S473-V477 PolarHBondContact O-N 3.04Å; L474-V477 PolarHBondContact O-N 3.17Å; E475-V477 VanDerWaalsContact C-N 3.35Å; E475-V477 PolarHBondContact O-N 3.19Å; V477-L481 HydrophobicContact CG1-CD1 3.58Å; V477-L481 HydrophobicContact CG1-CG 4.08Å; V477-L481 WeakPolarHBondContact O-CB 3.33Å; V477-L481 WeakPolarHBondContact O-CG 3.47Å; V477-L481 PolarHBondContact O-N 2.99Å; V477-I523 HydrophobicContact CB-CD1 4.32Å; V477-I523 HydrophobicContact CG1-CD1 3.9Å; V477-I523 HydrophobicContact CG1-CG1 4.31Å; V477-I523 HydrophobicContact CG1-CG2 4.23Å
478A93.2Very high83.2Confident0 Ų047.5 Ų47.50%028%0.282CS..Hα-helixtrans-62.3-42.8173.700000111.6L474 E475 L482 G483 E484 L519 I523L474-A478 WeakPolarHBondContact O-CB 3.43Å; L474-A478 PolarHBondContact O-N 3.39Å; E475-A478 PolarHBondContact O-N 3.28Å; A478-L482 HydrophobicContact CB-CD1 4.34Å; A478-L482 CarbonylContact O-C 3.56Å; A478-L482 VanDerWaalsContact O-CA 3.26Å; A478-L482 WeakPolarHBondContact O-CA 3.38Å; A478-L482 WeakPolarHBondContact O-CB 3.4Å; A478-L482 PolarHBondContact O-N 3.29Å; A478-G483 PolarHBondContact O-N 3.18Å; A478-G483 VanDerWaalsContact O-N 3.16Å; A478-E484 CarbonylContact C-O 3.47Å; A478-E484 VanDerWaalsContact C-O 3.25Å; A478-L519 HydrophobicContact CB-CD1 4.22Å; A478-L519 HydrophobicContact CB-CD2 3.98Å; A478-I523 HydrophobicContact CB-CD1 4.43Å
479Q91.2Very high81.8Confident96 Ų9648 Ų4845%0.44929%0.286SS..Hα-helixtrans-66.3-45.3178.1-17863.576.300111.9E475 T476 G483 E484E475-Q479 VanDerWaalsContact O-CB 3.31Å; E475-Q479 WeakPolarHBondContact O-CB 3.48Å; E475-Q479 PolarHBondContact O-N 3.36Å; T476-Q479 PolarHBondContact O-N 3.21Å; Q479-G483 VanDerWaalsContact NE2-C 3.34Å; Q479-G483 PolarHBondContact NE2-O 3.35Å; Q479-G483 VanDerWaalsContact NE2-O 3.1Å; Q479-G483 WeakPolarHBondContact O-CA 3.4Å; Q479-G483 PolarHBondContact O-N 3.41Å; Q479-E484 VanDerWaalsContact CA-O 3.25Å; Q479-E484 WeakPolarHBondContact CA-O 3.14Å; Q479-E484 PolarHBondContact N-O 3.04Å; Q479-E484 VanDerWaalsContact N-O 3.08Å
480E92.1Very high80.8Confident96 Ų9649.9 Ų49.945%0.44930%0.296SS..Hα-helixtrans-70.7-36.3-179.4-72.1-173.8-144.300112F469 S470 T476F469-E480 HydrophobicContact CD1-CB 4.17Å; F469-E480 WeakPolarHBondContact CD1-OE2 3.28Å; S470-E480 WeakPolarHBondContact CB-OE1 3.43Å; S470-E480 PolarHBondContact N-OE1 3.13Å; S470-E480 PolarHBondContact OG-OE1 3.37Å; T476-E480 HydrophobicContact CG2-CG 4.46Å; T476-E480 WeakPolarHBondContact CG2-OE1 3.38Å; T476-E480 WeakPolarHBondContact O-CB 3.37Å; T476-E480 WeakPolarHBondContact O-CG 3.42Å; T476-E480 PolarHBondContact O-N 3.45Å
481L93.2Very high80.5Confident22 Ų2250.9 Ų50.912%0.11530%0.301CS..Hα-helixtrans-91.5-47.4-178.5-67.1-177.3000113.4W467 F469 V477 I523 K526 T527W467-L481 HydrophobicContact CE3-CD2 4.02Å; W467-L481 HydrophobicContact CH2-CD2 4.18Å; W467-L481 HydrophobicContact CZ3-CD2 3.48Å; W467-L481 VanDerWaalsContact CZ3-CD2 3.48Å; F469-L481 HydrophobicContact CE1-CD1 4.09Å; F469-L481 HydrophobicContact CE1-CD2 3.74Å; F469-L481 HydrophobicContact CE1-CG 3.7Å; F469-L481 HydrophobicContact CZ-CD1 3.83Å; F469-L481 HydrophobicContact CZ-CD2 4.06Å; F469-L481 HydrophobicContact CZ-CG 3.97Å; V477-L481 HydrophobicContact CG1-CD1 3.58Å; V477-L481 HydrophobicContact CG1-CG 4.08Å; V477-L481 WeakPolarHBondContact O-CB 3.33Å; V477-L481 WeakPolarHBondContact O-CG 3.47Å; V477-L481 PolarHBondContact O-N 2.99Å; L481-I523 HydrophobicContact CD1-CG1 4.37Å; L481-I523 HydrophobicContact CD1-CG2 3.99Å; L481-K526 HydrophobicContact CB-CD 4.42Å; L481-K526 WeakPolarHBondContact O-CD 3.39Å; L481-K526 WeakPolarHBondContact O-CE 3.38Å; L481-K526 PolarHBondContact O-NZ 2.98Å; L481-T527 HydrophobicContact CD1-CG2 3.54Å
482L93.4Very high79.9Confident38 Ų3852.4 Ų52.420%0.19930%0.302CS..Hα-helixtrans-99.6-19.2-170-51.4174.5000112.6A478 L519 Q522 I523 K526A478-L482 HydrophobicContact CB-CD1 4.34Å; A478-L482 CarbonylContact O-C 3.56Å; A478-L482 VanDerWaalsContact O-CA 3.26Å; A478-L482 WeakPolarHBondContact O-CA 3.38Å; A478-L482 WeakPolarHBondContact O-CB 3.4Å; A478-L482 PolarHBondContact O-N 3.29Å; L482-L519 HydrophobicContact CD1-CD2 3.78Å; L482-Q522 HydrophobicContact CD1-CB 3.78Å; L482-Q522 HydrophobicContact CD2-CB 4.13Å; L482-I523 HydrophobicContact CD1-CG1 4Å; L482-I523 HydrophobicContact CG-CG1 4.41Å; L482-K526 HydrophobicContact CD2-CB 4.22Å; L482-K526 HydrophobicContact CD2-CD 3.57Å
483G89.3Confident79.3Confident52 Ų5254.8 Ų54.854%0.53632%0.316SS..SBendtrans81.71.5-173.200000113.5A478 Q479A478-G483 PolarHBondContact O-N 3.18Å; A478-G483 VanDerWaalsContact O-N 3.16Å; Q479-G483 VanDerWaalsContact NE2-C 3.34Å; Q479-G483 PolarHBondContact NE2-O 3.35Å; Q479-G483 VanDerWaalsContact NE2-O 3.1Å; Q479-G483 WeakPolarHBondContact O-CA 3.4Å; Q479-G483 PolarHBondContact O-N 3.41Å
484E75.8Confident79Confident77 Ų7755.5 Ų55.536%0.3631%0.312SS..PPolyproline II helixtrans-96117.5177.8-64.7-168.8174.900110.4A478 Q479 K515 L519A478-E484 CarbonylContact C-O 3.47Å; A478-E484 VanDerWaalsContact C-O 3.25Å; Q479-E484 VanDerWaalsContact CA-O 3.25Å; Q479-E484 WeakPolarHBondContact CA-O 3.14Å; Q479-E484 PolarHBondContact N-O 3.04Å; Q479-E484 VanDerWaalsContact N-O 3.08Å; E484-K515 IonicContact OE1-NZ 2.87Å; E484-K515 WeakPolarHBondContact OE2-CE 3.31Å; E484-K515 IonicContact OE2-NZ 3.77Å; E484-K515 PolarHBondContact OE2-NZ 2.81Å; E484-L519 HydrophobicContact CB-CD2 4.45Å; E484-L519 WeakPolarHBondContact OE2-CD2 3.42Å
485G61.9Low78.5Confident44 Ų4457.1 Ų57.145%0.45432%0.32SS..PPolyproline II helixtrans-93.6143.8172.900000110.9
486K63.2Low78.4Confident34 Ų3460.4 Ų60.415%0.14834%0.338CS..PPolyproline II helixtrans-74.8149.6163.5-66-167.3177.7-172.30109.2E475 Y512 D516E475-K486 HydrophobicContact CB-CB 4.15Å; E475-K486 HydrophobicContact CB-CD 4.04Å; E475-K486 HydrophobicContact CB-CG 4.02Å; E475-K486 HydrophobicContact CG-CB 3.84Å; E475-K486 HydrophobicContact CG-CG 4.21Å; K486-Y512 HydrophobicContact CD-CE2 4.5Å; K486-Y512 PolarHBondContact NZ-OH 3.05Å; K486-D516 WeakPolarHBondContact CE-OD1 3.2Å; K486-D516 IonicContact NZ-OD1 3.59Å; K486-D516 PolarHBondContact NZ-OD1 2.85Å; K486-D516 IonicContact NZ-OD2 2.95Å; K486-D516 PolarHBondContact NZ-OD2 3.32Å
487S56.9Low78.4Confident104 Ų10461.1 Ų61.173%0.72734%0.34SS*.SBendtrans-78.7133.4164.7-173.60000108.2
488I58.6Low78.4Confident62 Ų6261.5 Ų61.532%0.31834%0.342SS..  trans8394.1175.3-47.3174.4000115N490 D493 R494 E497I488-N490 VanDerWaalsContact C-N 3.31Å; I488-N490 PolarHBondContact O-N 2.93Å; I488-D493 HydrophobicContact CG2-CB 3.43Å; I488-D493 VanDerWaalsContact CG2-CB 3.43Å; I488-R494 PolarHBondContact O-NH2 3.46Å; I488-E497 HydrophobicContact CD1-CB 4.46Å; I488-E497 HydrophobicContact CD1-CG 4.47Å
489D56.6Low78.4Confident135 Ų13563 Ų6372%0.72235%0.35SS*.  trans-66.9-25174.5-102.5-35.5000113.7P491D489-P491 WeakPolarHBondContact O-CD 3.48Å
490N65.3Low78.5Confident58 Ų5863 Ų6331%0.3135%0.346SS..  trans-85.4120.6-173.5-178.86000111.3I488 W492 D493 R494I488-N490 VanDerWaalsContact C-N 3.31Å; I488-N490 PolarHBondContact O-N 2.93Å; N490-W492 PolarHBondContact O-N 3.26Å; N490-W492 VanDerWaalsContact O-N 3.17Å; N490-W492 PolarHBondContact OD1-N 2.94Å; N490-W492 VanDerWaalsContact OD1-N 3.17Å; N490-D493 HydrophobicContact CB-CB 4.22Å; N490-D493 VanDerWaalsContact CB-OD2 3.29Å; N490-D493 WeakPolarHBondContact CB-OD2 3.46Å; N490-D493 VanDerWaalsContact ND2-CG 3.28Å; N490-D493 PolarHBondContact ND2-OD2 3.39Å; N490-D493 PolarHBondContact O-N 3.04Å; N490-R494 PolarHBondContact O-N 3.21Å
491P73Confident78.7Confident86 Ų8661.4 Ų61.456%0.55834%0.335SS*.Hα-helixtrans-58.4-29.6179.5-23.832.9000114.4D489 M495D489-P491 WeakPolarHBondContact O-CD 3.48Å; P491-M495 PolarHBondContact O-N 3.2Å; P491-M495 VanDerWaalsContact O-N 3.11Å
492W70.9Confident78.9Confident64 Ų6461.7 Ų61.724%0.24234%0.336CS..Hα-helixtrans-70.9-50.5-179.8-56.9114.9000111.3N490 R494 M495 D496 R899 P900N490-W492 PolarHBondContact O-N 3.26Å; N490-W492 VanDerWaalsContact O-N 3.17Å; N490-W492 PolarHBondContact OD1-N 2.94Å; N490-W492 VanDerWaalsContact OD1-N 3.17Å; W492-R494 PolarHBondContact O-N 3.45Å; W492-M495 PolarHBondContact O-N 2.92Å; W492-M495 VanDerWaalsContact O-N 3.12Å; W492-D496 PolarHBondContact O-N 3.31Å; W492-R899 HydrophobicContact CH2-CB 4.25Å; W492-R899 HydrophobicContact CZ2-CB 4.27Å; W492-P900 HydrophobicContact CH2-CB 4.3Å; W492-P900 HydrophobicContact CH2-CG 4.01Å; W492-P900 HydrophobicContact CZ3-CG 4.24Å
493D77.1Confident79Confident83 Ų8363.2 Ų63.244%0.44435%0.354SS..Hα-helixtrans-63.7-33.2178.8-59.2-26.7000110.6I488 N490 E497I488-D493 HydrophobicContact CG2-CB 3.43Å; I488-D493 VanDerWaalsContact CG2-CB 3.43Å; N490-D493 HydrophobicContact CB-CB 4.22Å; N490-D493 VanDerWaalsContact CB-OD2 3.29Å; N490-D493 WeakPolarHBondContact CB-OD2 3.46Å; N490-D493 VanDerWaalsContact ND2-CG 3.28Å; N490-D493 PolarHBondContact ND2-OD2 3.39Å; N490-D493 PolarHBondContact O-N 3.04Å; D493-E497 VanDerWaalsContact O-CB 3.23Å; D493-E497 WeakPolarHBondContact O-CB 3.33Å; D493-E497 PolarHBondContact O-N 2.89Å
494R82.5Confident79.3Confident57 Ų5766.4 Ų66.422%0.21536%0.355CS..Hα-helixtrans-63.9-45.3172.9-173.1179.4-57179.73.6112.6E475 I488 N490 W492 E497 I498E475-R494 IonicContact OE1-NH2 2.81Å; E475-R494 IonicContact OE2-CZ 3.13Å; E475-R494 IonicContact OE2-NH2 2.66Å; E475-R494 PolarHBondContact OE2-NH2 3.15Å; I488-R494 PolarHBondContact O-NH2 3.46Å; N490-R494 PolarHBondContact O-N 3.21Å; W492-R494 PolarHBondContact O-N 3.45Å; R494-E497 PolarHBondContact O-N 3.04Å; R494-I498 HydrophobicContact CG-CD1 4.03Å; R494-I498 WeakPolarHBondContact O-CD1 3.48Å; R494-I498 VanDerWaalsContact O-CG1 3.29Å; R494-I498 WeakPolarHBondContact O-CG1 3.46Å; R494-I498 PolarHBondContact O-N 2.85Å
495M84.3Confident80.3Confident50 Ų5065.4 Ų65.425%0.24635%0.352CS..Hα-helixtrans-65.9-42.7179.1-175.560.458.100111.4R342 P491 W492 E497 I498 D499R342-M495 HydrophobicContact CB-CG 4.02Å; R342-M495 HydrophobicContact CB-SD 4.03Å; R342-M495 PolarHBondContact N-SD 3.04Å; P491-M495 PolarHBondContact O-N 3.2Å; P491-M495 VanDerWaalsContact O-N 3.11Å; W492-M495 PolarHBondContact O-N 2.92Å; W492-M495 VanDerWaalsContact O-N 3.12Å; M495-E497 VanDerWaalsContact C-N 3.3Å; M495-E497 PolarHBondContact O-N 3.16Å; M495-I498 PolarHBondContact O-N 3.25Å; M495-D499 WeakPolarHBondContact O-CB 3.11Å; M495-D499 PolarHBondContact O-N 3.03Å
496D85.8Confident82.1Confident84 Ų8463.6 Ų63.645%0.44933%0.332SS..Hα-helixtrans-66.4-34.7177.3-68.4-25.5000111.3R342 W492 D499 R500R342-D496 IonicContact CZ-OD1 3.49Å; R342-D496 IonicContact NH2-OD1 3.28Å; R342-D496 PolarHBondContact NH2-OD1 3.17Å; W492-D496 PolarHBondContact O-N 3.31Å; D496-D499 PolarHBondContact O-N 3.37Å; D496-R500 VanDerWaalsContact O-CB 3.27Å; D496-R500 WeakPolarHBondContact O-CB 3.45Å; D496-R500 PolarHBondContact O-N 2.99Å
497E89.7Confident83.7Confident41 Ų4162.2 Ų62.219%0.19233%0.326CS..Hα-helixtrans-68.9-38.2173-179.961.4-171.600112.6I488 D493 R494 M495 R500 R501I488-E497 HydrophobicContact CD1-CB 4.46Å; I488-E497 HydrophobicContact CD1-CG 4.47Å; D493-E497 VanDerWaalsContact O-CB 3.23Å; D493-E497 WeakPolarHBondContact O-CB 3.33Å; D493-E497 PolarHBondContact O-N 2.89Å; R494-E497 PolarHBondContact O-N 3.04Å; M495-E497 VanDerWaalsContact C-N 3.3Å; M495-E497 PolarHBondContact O-N 3.16Å; E497-R500 PolarHBondContact O-N 3.27Å; E497-R500 IonicContact OE1-CZ 2.66Å; E497-R500 IonicContact OE1-NE 3.65Å; E497-R500 IonicContact OE1-NH2 3.35Å; E497-R500 PolarHBondContact OE1-NH2 3.1Å; E497-R500 IonicContact OE2-CZ 3.49Å; E497-R500 IonicContact OE2-NE 3.84Å; E497-R500 PolarHBondContact OE2-NE 2.56Å; E497-R500 IonicContact OE2-NH2 3.53Å; E497-R500 PolarHBondContact OE2-NH2 3.09Å; E497-R501 WeakPolarHBondContact O-CB 3.23Å; E497-R501 VanDerWaalsContact O-CG 3.27Å; E497-R501 WeakPolarHBondContact O-CG 3.23Å; E497-R501 PolarHBondContact O-N 2.87Å; E497-R501 IonicContact OE1-CZ 3.71Å; E497-R501 IonicContact OE1-NE 2.8Å; E497-R501 PolarHBondContact OE1-NE 2.96Å; E497-R501 IonicContact OE1-NH2 2.76Å; E497-R501 PolarHBondContact OE1-NH2 2.9Å
498I92.6Very high85.5Confident9 Ų958.4 Ų58.45%0.04630%0.301CS..Hα-helixtrans-62.3-48.4172.4-72.4160.6000110.3E339 Y347 R494 M495 R500 R501 F502 L509 Y512E339-I498 WeakPolarHBondContact OE2-CD1 3.45Å; Y347-I498 HydrophobicContact CD2-CG2 4.14Å; Y347-I498 HydrophobicContact CE2-CG2 4.29Å; R494-I498 HydrophobicContact CG-CD1 4.03Å; R494-I498 WeakPolarHBondContact O-CD1 3.48Å; R494-I498 VanDerWaalsContact O-CG1 3.29Å; R494-I498 WeakPolarHBondContact O-CG1 3.46Å; R494-I498 PolarHBondContact O-N 2.85Å; M495-I498 PolarHBondContact O-N 3.25Å; I498-R500 VanDerWaalsContact C-N 3.32Å; I498-R500 PolarHBondContact O-N 2.98Å; I498-R501 PolarHBondContact O-N 3.04Å; I498-F502 PolarHBondContact O-N 3.41Å; I498-L509 HydrophobicContact CG1-CD1 4.4Å; I498-L509 HydrophobicContact CG2-CD1 4.05Å; I498-Y512 HydrophobicContact CD1-CE1 4.29Å; I498-Y512 HydrophobicContact CG1-CE1 4.31Å
499D92.8Very high87.3Confident32 Ų3255.4 Ų55.417%0.17129%0.286CS..Hα-helixtrans-59.6-43.2177.6-74.7-21.2000110.4R342 Y347 M495 D496 F502 A503R342-D499 IonicContact CZ-OD2 2.74Å; R342-D499 IonicContact NE-OD2 2.9Å; R342-D499 PolarHBondContact NE-OD2 3.48Å; R342-D499 IonicContact NH2-OD2 2.68Å; R342-D499 PolarHBondContact NH2-OD2 3.47Å; Y347-D499 PolarHBondContact OH-OD1 3.08Å; M495-D499 WeakPolarHBondContact O-CB 3.11Å; M495-D499 PolarHBondContact O-N 3.03Å; D496-D499 PolarHBondContact O-N 3.37Å; D499-F502 PolarHBondContact O-N 3.18Å; D499-A503 WeakPolarHBondContact O-CB 3.21Å; D499-A503 PolarHBondContact O-N 3.17Å; D499-A503 VanDerWaalsContact O-N 3.07Å
500R94.3Very high89.3Confident94 Ų9449 Ų4936%0.35525%0.251SS..Hα-helixtrans-63.7-49.9177.1-170.5-166.669.7751.2111.9D496 E497 I498 F502 A503 E504D496-R500 VanDerWaalsContact O-CB 3.27Å; D496-R500 WeakPolarHBondContact O-CB 3.45Å; D496-R500 PolarHBondContact O-N 2.99Å; E497-R500 PolarHBondContact O-N 3.27Å; E497-R500 IonicContact OE1-CZ 2.66Å; E497-R500 IonicContact OE1-NE 3.65Å; E497-R500 IonicContact OE1-NH2 3.35Å; E497-R500 PolarHBondContact OE1-NH2 3.1Å; E497-R500 IonicContact OE2-CZ 3.49Å; E497-R500 IonicContact OE2-NE 3.84Å; E497-R500 PolarHBondContact OE2-NE 2.56Å; E497-R500 IonicContact OE2-NH2 3.53Å; E497-R500 PolarHBondContact OE2-NH2 3.09Å; I498-R500 VanDerWaalsContact C-N 3.32Å; I498-R500 PolarHBondContact O-N 2.98Å; R500-F502 VanDerWaalsContact C-N 3.31Å; R500-F502 PolarHBondContact O-N 3.4Å; R500-A503 PolarHBondContact O-N 3.06Å; R500-A503 VanDerWaalsContact O-N 3.1Å; R500-E504 HydrophobicContact CG-CG 4.46Å; R500-E504 VanDerWaalsContact CG-OE2 3.27Å; R500-E504 WeakPolarHBondContact CG-OE2 3.46Å; R500-E504 IonicContact CZ-OE2 2.78Å; R500-E504 IonicContact NH1-OE2 3.04Å; R500-E504 PolarHBondContact NH1-OE2 2.81Å; R500-E504 WeakPolarHBondContact O-CB 3.28Å; R500-E504 PolarHBondContact O-N 3.22Å
501R95.3Very high90.8Very high63 Ų6349.3 Ų49.324%0.23826%0.255CS..Hα-helixtrans-61.3-41.1178.1-70.4178.1-172.4-159.66.3111.1E497 I498 A503 E504 D505 K506 A508 L509E497-R501 WeakPolarHBondContact O-CB 3.23Å; E497-R501 VanDerWaalsContact O-CG 3.27Å; E497-R501 WeakPolarHBondContact O-CG 3.23Å; E497-R501 PolarHBondContact O-N 2.87Å; E497-R501 IonicContact OE1-CZ 3.71Å; E497-R501 IonicContact OE1-NE 2.8Å; E497-R501 PolarHBondContact OE1-NE 2.96Å; E497-R501 IonicContact OE1-NH2 2.76Å; E497-R501 PolarHBondContact OE1-NH2 2.9Å; I498-R501 PolarHBondContact O-N 3.04Å; R501-A503 VanDerWaalsContact C-N 3.29Å; R501-A503 PolarHBondContact O-N 3.29Å; R501-E504 PolarHBondContact O-N 3.03Å; R501-D505 CarbonylContact O-C 3.54Å; R501-D505 VanDerWaalsContact O-CA 3.31Å; R501-D505 WeakPolarHBondContact O-CA 3.27Å; R501-D505 PolarHBondContact O-N 2.74Å; R501-K506 PolarHBondContact O-N 3.23Å; R501-K506 VanDerWaalsContact O-N 3.16Å; R501-A508 HydrophobicContact CG-CB 4.4Å; R501-A508 PolarHBondContact NH1-O 3.4Å; R501-L509 HydrophobicContact CB-CB 3.82Å
502F96.6Very high91.7Very high29 Ų2947.1 Ų47.113%0.12724%0.236CC..Hα-helixtrans-60.6-40.6174.6-174.2-97.5000112.5Y347 M361 L362 N366 I498 D499 R500 K506 L509Y347-F502 HydrophobicContact CD1-CB 4.17Å; Y347-F502 AromaticContact CD1-CD1 3.48Å; Y347-F502 HydrophobicContact CD1-CD1 3.48Å; Y347-F502 VanDerWaalsContact CD1-CD1 3.48Å; Y347-F502 AromaticContact CD1-CD2 3.27Å; Y347-F502 HydrophobicContact CD1-CD2 3.27Å; Y347-F502 AromaticContact CD1-CE1 3.56Å; Y347-F502 HydrophobicContact CD1-CE1 3.56Å; Y347-F502 AromaticContact CD1-CE2 3.37Å; Y347-F502 HydrophobicContact CD1-CE2 3.37Å; Y347-F502 AromaticContact CD1-CG 3.32Å; Y347-F502 HydrophobicContact CD1-CG 3.32Å; Y347-F502 AromaticContact CD1-CZ 3.51Å; Y347-F502 HydrophobicContact CD1-CZ 3.51Å; Y347-F502 HydrophobicContact CD2-CB 4.26Å; Y347-F502 HydrophobicContact CD2-CD2 4.38Å; Y347-F502 HydrophobicContact CD2-CG 4.25Å; Y347-F502 HydrophobicContact CE1-CB 4.06Å; Y347-F502 AromaticContact CE1-CD1 3.11Å; Y347-F502 HydrophobicContact CE1-CD1 3.11Å; Y347-F502 AromaticContact CE1-CD2 3.85Å; Y347-F502 HydrophobicContact CE1-CD2 3.85Å; Y347-F502 AromaticContact CE1-CE1 3.38Å; Y347-F502 HydrophobicContact CE1-CE1 3.38Å; Y347-F502 HydrophobicContact CE1-CE2 4.08Å; Y347-F502 AromaticContact CE1-CG 3.37Å; Y347-F502 HydrophobicContact CE1-CG 3.37Å; Y347-F502 AromaticContact CE1-CZ 3.87Å; Y347-F502 HydrophobicContact CE1-CZ 3.87Å; Y347-F502 HydrophobicContact CE2-CB 4.16Å; Y347-F502 HydrophobicContact CE2-CG 4.29Å; Y347-F502 HydrophobicContact CG-CB 4.26Å; Y347-F502 HydrophobicContact CG-CD1 4.36Å; Y347-F502 AromaticContact CG-CD2 3.57Å; Y347-F502 HydrophobicContact CG-CD2 3.57Å; Y347-F502 AromaticContact CG-CE2 3.98Å; Y347-F502 HydrophobicContact CG-CE2 3.98Å; Y347-F502 AromaticContact CG-CG 3.78Å; Y347-F502 HydrophobicContact CG-CG 3.78Å; Y347-F502 AromaticContact CZ-CD1 3.76Å; Y347-F502 AromaticContact CZ-CG 3.84Å; M361-F502 HydrophobicContact SD-CD2 4.01Å; M361-F502 HydrophobicContact SD-CE2 3.95Å; L362-F502 HydrophobicContact CB-CE2 3.96Å; L362-F502 HydrophobicContact CB-CZ 3.95Å; L362-F502 HydrophobicContact CD2-CZ 3.9Å; L362-F502 HydrophobicContact CG-CZ 4.06Å; N366-F502 PolarHBondContact ND2-O 3.48Å; I498-F502 PolarHBondContact O-N 3.41Å; D499-F502 PolarHBondContact O-N 3.18Å; R500-F502 VanDerWaalsContact C-N 3.31Å; R500-F502 PolarHBondContact O-N 3.4Å; F502-K506 HydrophobicContact CD2-CD 4.36Å; F502-K506 HydrophobicContact CD2-CG 4.13Å; F502-K506 HydrophobicContact CE2-CD 4.16Å; F502-K506 HydrophobicContact CE2-CG 4.42Å; F502-K506 WeakPolarHBondContact O-CE 3.46Å; F502-K506 WeakPolarHBondContact O-CG 3.49Å; F502-L509 HydrophobicContact CB-CD2 3.82Å; F502-L509 HydrophobicContact CD2-CD2 3.89Å; F502-L509 HydrophobicContact CG-CD2 4.36Å
503A96.2Very high93Very high70 Ų7044 Ų4458%0.57923%0.225SC*.Hα-helixtrans-72.2-38.1-178.900000113.4N366 D499 R500 R501N366-A503 VanDerWaalsContact ND2-C 3.32Å; N366-A503 PolarHBondContact ND2-O 2.92Å; D499-A503 WeakPolarHBondContact O-CB 3.21Å; D499-A503 PolarHBondContact O-N 3.17Å; D499-A503 VanDerWaalsContact O-N 3.07Å; R500-A503 PolarHBondContact O-N 3.06Å; R500-A503 VanDerWaalsContact O-N 3.1Å; R501-A503 VanDerWaalsContact C-N 3.29Å; R501-A503 PolarHBondContact O-N 3.29Å
504E96.7Very high93.9Very high119 Ų11940.2 Ų40.256%0.55620%0.204SC*.Hα-helixtrans-112.6-35-168-63.2173.6177.800114R500 R501R500-E504 HydrophobicContact CG-CG 4.46Å; R500-E504 VanDerWaalsContact CG-OE2 3.27Å; R500-E504 WeakPolarHBondContact CG-OE2 3.46Å; R500-E504 IonicContact CZ-OE2 2.78Å; R500-E504 IonicContact NH1-OE2 3.04Å; R500-E504 PolarHBondContact NH1-OE2 2.81Å; R500-E504 WeakPolarHBondContact O-CB 3.28Å; R500-E504 PolarHBondContact O-N 3.22Å; R501-E504 PolarHBondContact O-N 3.03Å
505D96.6Very high94.5Very high55 Ų5540.6 Ų40.629%0.29421%0.207SC..  trans-15174.3-167.7-169.8-8.5000112.1R501 P507 A508 L509R501-D505 CarbonylContact O-C 3.54Å; R501-D505 VanDerWaalsContact O-CA 3.31Å; R501-D505 WeakPolarHBondContact O-CA 3.27Å; R501-D505 PolarHBondContact O-N 2.74Å; D505-P507 VanDerWaalsContact C-CD 3.48Å; D505-P507 VanDerWaalsContact C-N 3.34Å; D505-P507 WeakPolarHBondContact OD1-CD 3.35Å; D505-A508 HydrophobicContact CB-CB 4.09Å; D505-A508 PolarHBondContact O-N 3.41Å; D505-A508 VanDerWaalsContact O-N 3.13Å; D505-A508 PolarHBondContact OD1-N 2.92Å; D505-A508 WeakPolarHBondContact OD2-CB 3.33Å; D505-L509 PolarHBondContact O-N 3.49Å; D505-L509 VanDerWaalsContact O-N 3.16Å
506K98Very high95Very high7 Ų738.7 Ų38.73%0.0320%0.198CC..Hα-helixtrans-61.2-33.7178-72.1170.7-170.1-174.10113.5M361 L362 G363 P364 N366 Y378 R501 F502 A508 L509 A510M361-K506 HydrophobicContact CE-CB 4.22Å; M361-K506 HydrophobicContact CG-CB 4.02Å; M361-K506 HydrophobicContact CG-CD 3.91Å; M361-K506 HydrophobicContact CG-CG 4.19Å; M361-K506 HydrophobicContact SD-CB 4.08Å; M361-K506 HydrophobicContact SD-CD 4.17Å; M361-K506 HydrophobicContact SD-CG 3.98Å; L362-K506 WeakPolarHBondContact O-CE 3.38Å; L362-K506 PolarHBondContact O-NZ 3.33Å; G363-K506 VanDerWaalsContact C-NZ 3.26Å; G363-K506 PolarHBondContact O-NZ 3.3Å; P364-K506 PolarHBondContact O-NZ 2.86Å; N366-K506 WeakPolarHBondContact OD1-CB 3.42Å; N366-K506 VanDerWaalsContact OD1-CD 3.32Å; N366-K506 WeakPolarHBondContact OD1-CD 3.42Å; N366-K506 WeakPolarHBondContact OD1-CG 3.33Å; N366-K506 PolarHBondContact OD1-N 2.81Å; Y378-K506 HydrophobicContact CE1-CB 4.15Å; Y378-K506 HydrophobicContact CE1-CD 3.77Å; R501-K506 PolarHBondContact O-N 3.23Å; R501-K506 VanDerWaalsContact O-N 3.16Å; F502-K506 HydrophobicContact CD2-CD 4.36Å; F502-K506 HydrophobicContact CD2-CG 4.13Å; F502-K506 HydrophobicContact CE2-CD 4.16Å; F502-K506 HydrophobicContact CE2-CG 4.42Å; F502-K506 WeakPolarHBondContact O-CE 3.46Å; F502-K506 WeakPolarHBondContact O-CG 3.49Å; K506-A508 VanDerWaalsContact C-N 3.31Å; K506-A508 PolarHBondContact O-N 3.26Å; K506-L509 WeakPolarHBondContact O-CB 3.28Å; K506-L509 PolarHBondContact O-N 3.43Å; K506-L509 VanDerWaalsContact O-N 3.15Å; K506-A510 WeakPolarHBondContact O-CB 3.29Å; K506-A510 PolarHBondContact O-N 2.99Å
507P97.9Very high95.6Very high5 Ų534.7 Ų34.73%0.03218%0.177CC..Hα-helixtrans-55.2-42.1169.3-30.738.7000113.3N366 D368 A369 L372 L376 D505 A510 T511N366-P507 WeakPolarHBondContact O-CD 3.38Å; D368-P507 WeakPolarHBondContact O-CB 3.37Å; A369-P507 HydrophobicContact CB-CG 4.05Å; L372-P507 HydrophobicContact CD1-CB 4.18Å; L372-P507 HydrophobicContact CD2-CB 4.24Å; L376-P507 HydrophobicContact CD2-CG 4.24Å; D505-P507 VanDerWaalsContact C-CD 3.48Å; D505-P507 VanDerWaalsContact C-N 3.34Å; D505-P507 WeakPolarHBondContact OD1-CD 3.35Å; P507-A510 PolarHBondContact O-N 2.99Å; P507-T511 WeakPolarHBondContact O-CB 3.31Å; P507-T511 PolarHBondContact O-N 3.03Å; P507-T511 PolarHBondContact O-OG1 3.28Å
508A95.4Very high96Very high23 Ų2334.3 Ų34.319%0.1918%0.175CC..Hα-helixtrans-69-31.6174.600000113.4R501 D505 K506 Y512R501-A508 HydrophobicContact CG-CB 4.4Å; R501-A508 PolarHBondContact NH1-O 3.4Å; D505-A508 HydrophobicContact CB-CB 4.09Å; D505-A508 PolarHBondContact O-N 3.41Å; D505-A508 VanDerWaalsContact O-N 3.13Å; D505-A508 PolarHBondContact OD1-N 2.92Å; D505-A508 WeakPolarHBondContact OD2-CB 3.33Å; K506-A508 VanDerWaalsContact C-N 3.31Å; K506-A508 PolarHBondContact O-N 3.26Å; A508-Y512 PolarHBondContact O-N 2.84Å
509L96.3Very high96.1Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-68.4-43.7170.7-17860000111.4E339 M361 I498 R501 F502 D505 K506 T511 Y512 N513E339-L509 HydrophobicContact CB-CD1 4.42Å; E339-L509 HydrophobicContact CG-CD1 4.18Å; M361-L509 HydrophobicContact CE-CB 4.14Å; M361-L509 HydrophobicContact CE-CD2 4.07Å; M361-L509 HydrophobicContact CE-CG 4.1Å; M361-L509 HydrophobicContact SD-CD2 4.28Å; I498-L509 HydrophobicContact CG1-CD1 4.4Å; I498-L509 HydrophobicContact CG2-CD1 4.05Å; R501-L509 HydrophobicContact CB-CB 3.82Å; F502-L509 HydrophobicContact CB-CD2 3.82Å; F502-L509 HydrophobicContact CD2-CD2 3.89Å; F502-L509 HydrophobicContact CG-CD2 4.36Å; D505-L509 PolarHBondContact O-N 3.49Å; D505-L509 VanDerWaalsContact O-N 3.16Å; K506-L509 WeakPolarHBondContact O-CB 3.28Å; K506-L509 PolarHBondContact O-N 3.43Å; K506-L509 VanDerWaalsContact O-N 3.15Å; L509-T511 VanDerWaalsContact C-N 3.3Å; L509-T511 PolarHBondContact O-N 3.48Å; L509-Y512 HydrophobicContact CD1-CD1 4.38Å; L509-Y512 WeakPolarHBondContact O-CB 3.44Å; L509-Y512 PolarHBondContact O-N 3.43Å; L509-Y512 VanDerWaalsContact O-N 3.15Å; L509-N513 PolarHBondContact O-N 2.86Å
510A97.8Very high96.4Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-61.9-40.817800000111.4V359 M361 F374 L376 K506 P507 Y512 N513 L514V359-A510 HydrophobicContact CB-CB 4.02Å; V359-A510 HydrophobicContact CG1-CB 3.86Å; V359-A510 HydrophobicContact CG2-CB 4.12Å; M361-A510 HydrophobicContact CE-CB 3.9Å; F374-A510 HydrophobicContact CE2-CB 3.84Å; F374-A510 HydrophobicContact CZ-CB 3.89Å; L376-A510 HydrophobicContact CD1-CB 3.73Å; L376-A510 HydrophobicContact CD2-CB 4.36Å; K506-A510 WeakPolarHBondContact O-CB 3.29Å; K506-A510 PolarHBondContact O-N 2.99Å; P507-A510 PolarHBondContact O-N 2.99Å; A510-Y512 VanDerWaalsContact C-N 3.31Å; A510-Y512 PolarHBondContact O-N 3Å; A510-N513 PolarHBondContact O-N 3.09Å; A510-L514 WeakPolarHBondContact O-CB 3.38Å; A510-L514 PolarHBondContact O-N 3.43Å
511T96.6Very high96.6Very high65 Ų6529 Ų2940%0.39915%0.154SC..Hα-helixtrans-61.2-41.8174.3-56.80000111.3P507 L509 K515P507-T511 WeakPolarHBondContact O-CB 3.31Å; P507-T511 PolarHBondContact O-N 3.03Å; P507-T511 PolarHBondContact O-OG1 3.28Å; L509-T511 VanDerWaalsContact C-N 3.3Å; L509-T511 PolarHBondContact O-N 3.48Å; T511-K515 WeakPolarHBondContact O-CB 3.43Å; T511-K515 PolarHBondContact O-N 2.66Å
512Y93.2Very high96.7Very high39 Ų3929.4 Ų29.415%0.15316%0.159CC..Hα-helixtrans-65.3-47.4176.9173.4-96.4000112.5E339 K486 I498 A508 L509 A510 K515 D516E339-Y512 WeakPolarHBondContact OE1-CE1 3.26Å; K486-Y512 HydrophobicContact CD-CE2 4.5Å; K486-Y512 PolarHBondContact NZ-OH 3.05Å; I498-Y512 HydrophobicContact CD1-CE1 4.29Å; I498-Y512 HydrophobicContact CG1-CE1 4.31Å; A508-Y512 PolarHBondContact O-N 2.84Å; L509-Y512 HydrophobicContact CD1-CD1 4.38Å; L509-Y512 WeakPolarHBondContact O-CB 3.44Å; L509-Y512 PolarHBondContact O-N 3.43Å; L509-Y512 VanDerWaalsContact O-N 3.15Å; A510-Y512 VanDerWaalsContact C-N 3.31Å; A510-Y512 PolarHBondContact O-N 3Å; Y512-K515 PolarHBondContact O-N 2.9Å; Y512-D516 PolarHBondContact O-N 2.99Å; Y512-D516 VanDerWaalsContact O-N 3.13Å
513N96.7Very high96.7Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-61.6-50.6177.9-179.9-50.1000111.1D337 E339 C348 G350 L509 A510 K515 D516 C517D337-N513 PolarHBondContact O-ND2 3.36Å; D337-N513 PolarHBondContact OD2-ND2 3.05Å; E339-N513 HydrophobicContact CG-CB 3.94Å; C348-N513 PolarHBondContact SG-ND2 2.88Å; C348-N513 VanDerWaalsContact SG-ND2 3.41Å; G350-N513 WeakPolarHBondContact CA-OD1 3.3Å; G350-N513 PolarHBondContact N-OD1 2.79Å; G350-N513 VanDerWaalsContact N-OD1 3.13Å; L509-N513 PolarHBondContact O-N 2.86Å; A510-N513 PolarHBondContact O-N 3.09Å; N513-K515 VanDerWaalsContact C-N 3.26Å; N513-K515 PolarHBondContact O-N 3.21Å; N513-D516 WeakPolarHBondContact O-CA 3.47Å; N513-D516 WeakPolarHBondContact O-CB 3.46Å; N513-D516 PolarHBondContact O-N 3.27Å; N513-C517 PolarHBondContact O-N 3.12Å; N513-C517 VanDerWaalsContact O-N 3.17Å
514L97.5Very high96.7Very high2 Ų224.8 Ų24.81%0.0113%0.125CC..Hα-helixtrans-63.2-35.9-180-173.168.8000111.8E352 R357 V359 F374 A510 D516 C517 E518E352-L514 HydrophobicContact CB-CD1 4.08Å; R357-L514 HydrophobicContact CB-CD1 4.4Å; R357-L514 HydrophobicContact CB-CD2 4.05Å; V359-L514 HydrophobicContact CG2-CB 3.92Å; F374-L514 HydrophobicContact CB-CD2 3.39Å; F374-L514 HydrophobicContact CD1-CD2 3.4Å; F374-L514 VanDerWaalsContact CD1-CD2 3.4Å; F374-L514 HydrophobicContact CD2-CD2 3.73Å; F374-L514 HydrophobicContact CE1-CD2 4.06Å; F374-L514 HydrophobicContact CE2-CD2 4.35Å; F374-L514 HydrophobicContact CG-CD2 3.22Å; A510-L514 WeakPolarHBondContact O-CB 3.38Å; A510-L514 PolarHBondContact O-N 3.43Å; L514-D516 PolarHBondContact O-N 3.28Å; L514-C517 WeakPolarHBondContact O-CB 3.3Å; L514-C517 PolarHBondContact O-N 3.44Å; L514-E518 WeakPolarHBondContact O-CG 3.49Å; L514-E518 PolarHBondContact O-N 3.15Å
515K94.8Very high96.7Very high66 Ų6624.4 Ų24.429%0.28712%0.124SC..Hα-helixtrans-60-36.6174.1-176.961.4177.6177.60111.6E484 T511 Y512 N513 E518 L519E484-K515 IonicContact OE1-NZ 2.87Å; E484-K515 WeakPolarHBondContact OE2-CE 3.31Å; E484-K515 IonicContact OE2-NZ 3.77Å; E484-K515 PolarHBondContact OE2-NZ 2.81Å; T511-K515 WeakPolarHBondContact O-CB 3.43Å; T511-K515 PolarHBondContact O-N 2.66Å; Y512-K515 PolarHBondContact O-N 2.9Å; N513-K515 VanDerWaalsContact C-N 3.26Å; N513-K515 PolarHBondContact O-N 3.21Å; K515-E518 PolarHBondContact O-N 3.45Å; K515-L519 HydrophobicContact CD-CG 4.45Å; K515-L519 HydrophobicContact CG-CD1 4.41Å; K515-L519 HydrophobicContact CG-CG 4.44Å; K515-L519 WeakPolarHBondContact O-CB 3.12Å; K515-L519 VanDerWaalsContact O-CG 3.25Å; K515-L519 WeakPolarHBondContact O-CG 3.11Å; K515-L519 PolarHBondContact O-N 2.84Å
516D94.8Very high96.6Very high9 Ų927.7 Ų27.75%0.04814%0.135CC..Hα-helixtrans-64.8-43.7174.6-78.83.2000112.1L474 K486 Y512 N513 L514 E518 L519 V520L474-D516 HydrophobicContact CD2-CB 3.98Å; K486-D516 WeakPolarHBondContact CE-OD1 3.2Å; K486-D516 IonicContact NZ-OD1 3.59Å; K486-D516 PolarHBondContact NZ-OD1 2.85Å; K486-D516 IonicContact NZ-OD2 2.95Å; K486-D516 PolarHBondContact NZ-OD2 3.32Å; Y512-D516 PolarHBondContact O-N 2.99Å; Y512-D516 VanDerWaalsContact O-N 3.13Å; N513-D516 WeakPolarHBondContact O-CA 3.47Å; N513-D516 WeakPolarHBondContact O-CB 3.46Å; N513-D516 PolarHBondContact O-N 3.27Å; L514-D516 PolarHBondContact O-N 3.28Å; D516-E518 VanDerWaalsContact C-N 3.34Å; D516-E518 PolarHBondContact O-N 2.84Å; D516-L519 PolarHBondContact O-N 3.36Å; D516-V520 WeakPolarHBondContact O-CG2 3.19Å; D516-V520 PolarHBondContact O-N 3.25Å; D516-V520 VanDerWaalsContact O-N 3.15Å
517C97.8Very high96.3Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-56.6-47.9171.9-64.50000111.7S335 D337 G350 E352 N513 L514 V520 T521S335-C517 WeakPolarHBondContact CB-O 3.46Å; S335-C517 WeakPolarHBondContact OG-CA 3.19Å; S335-C517 PolarHBondContact OG-O 3.15Å; D337-C517 WeakPolarHBondContact CB-SG 3.31Å; G350-C517 PolarHBondContact O-SG 3.14Å; E352-C517 HydrophobicContact CB-CB 3.69Å; N513-C517 PolarHBondContact O-N 3.12Å; N513-C517 VanDerWaalsContact O-N 3.17Å; L514-C517 WeakPolarHBondContact O-CB 3.3Å; L514-C517 PolarHBondContact O-N 3.44Å; C517-V520 PolarHBondContact O-N 3.18Å; C517-T521 PolarHBondContact O-N 3.45Å; C517-T521 VanDerWaalsContact O-N 3.09Å; C517-T521 PolarHBondContact O-OG1 2.68Å
518E97.1Very high96Very high34 Ų3433 Ų3316%0.15916%0.16CC..Hα-helixtrans-63.6-42.8-179.5-72.3175172.700112.4E352 R357 L514 K515 D516 V520 T521 Q522E352-E518 HydrophobicContact CG-CG 4.1Å; R357-E518 IonicContact CZ-OE1 3.58Å; R357-E518 IonicContact NE-OE1 2.69Å; R357-E518 PolarHBondContact NE-OE1 3.48Å; R357-E518 IonicContact NH2-OE1 2.72Å; R357-E518 PolarHBondContact NH2-OE1 3.01Å; L514-E518 WeakPolarHBondContact O-CG 3.49Å; L514-E518 PolarHBondContact O-N 3.15Å; K515-E518 PolarHBondContact O-N 3.45Å; D516-E518 VanDerWaalsContact C-N 3.34Å; D516-E518 PolarHBondContact O-N 2.84Å; E518-V520 VanDerWaalsContact C-N 3.3Å; E518-V520 PolarHBondContact O-N 2.65Å; E518-T521 PolarHBondContact O-N 2.99Å; E518-Q522 WeakPolarHBondContact O-CB 3.44Å; E518-Q522 VanDerWaalsContact O-CG 3.28Å; E518-Q522 WeakPolarHBondContact O-CG 3.2Å; E518-Q522 PolarHBondContact O-N 3.3Å
519L96.3Very high96Very high5 Ų531.9 Ų31.93%0.02615%0.152CC..Hα-helixtrans-59.8-41.6176.8-75.4176.2000111.3L474 A478 L482 E484 K515 D516 Q522 I523L474-L519 HydrophobicContact CD1-CB 4.2Å; L474-L519 HydrophobicContact CD2-CB 4.48Å; L474-L519 HydrophobicContact CG-CB 4.49Å; A478-L519 HydrophobicContact CB-CD1 4.22Å; A478-L519 HydrophobicContact CB-CD2 3.98Å; L482-L519 HydrophobicContact CD1-CD2 3.78Å; E484-L519 HydrophobicContact CB-CD2 4.45Å; E484-L519 WeakPolarHBondContact OE2-CD2 3.42Å; K515-L519 HydrophobicContact CD-CG 4.45Å; K515-L519 HydrophobicContact CG-CD1 4.41Å; K515-L519 HydrophobicContact CG-CG 4.44Å; K515-L519 WeakPolarHBondContact O-CB 3.12Å; K515-L519 VanDerWaalsContact O-CG 3.25Å; K515-L519 WeakPolarHBondContact O-CG 3.11Å; K515-L519 PolarHBondContact O-N 2.84Å; D516-L519 PolarHBondContact O-N 3.36Å; L519-Q522 PolarHBondContact O-N 2.93Å; L519-I523 WeakPolarHBondContact O-CB 3.42Å; L519-I523 WeakPolarHBondContact O-CD1 3.5Å; L519-I523 WeakPolarHBondContact O-CG1 3.41Å; L519-I523 PolarHBondContact O-N 3.13Å
520V97.8Very high95.9Very high4 Ų432 Ų322%0.02415%0.152CC..Hα-helixtrans-61.6-48.9175.1172.80000110.6I402 W404 L474 D516 C517 E518 Q522 I523 F524I402-V520 HydrophobicContact CD1-CG1 4.15Å; I402-V520 HydrophobicContact CG1-CG1 4.16Å; W404-V520 HydrophobicContact CB-CG2 3.9Å; W404-V520 HydrophobicContact CE3-CG2 4.28Å; L474-V520 HydrophobicContact CD1-CG2 3.79Å; L474-V520 HydrophobicContact CD2-CG2 4.15Å; D516-V520 WeakPolarHBondContact O-CG2 3.19Å; D516-V520 PolarHBondContact O-N 3.25Å; D516-V520 VanDerWaalsContact O-N 3.15Å; C517-V520 PolarHBondContact O-N 3.18Å; E518-V520 VanDerWaalsContact C-N 3.3Å; E518-V520 PolarHBondContact O-N 2.65Å; V520-Q522 VanDerWaalsContact C-N 3.33Å; V520-Q522 PolarHBondContact O-N 2.63Å; V520-I523 PolarHBondContact O-N 3Å; V520-F524 HydrophobicContact CG1-CD2 3.9Å; V520-F524 HydrophobicContact CG1-CE2 3.76Å; V520-F524 VanDerWaalsContact O-CD2 3.23Å; V520-F524 WeakPolarHBondContact O-CD2 2.95Å; V520-F524 PolarHBondContact O-N 2.62Å
521T98.3Very high95.7Very high13 Ų1334.9 Ų34.98%0.0817%0.171CC..Hα-helixtrans-58.5-44.7178.1-66.90000111.6S335 E352 C517 E518 I523 F524 H525S335-T521 VanDerWaalsContact CB-OG1 3.27Å; S335-T521 WeakPolarHBondContact CB-OG1 3.23Å; E352-T521 VanDerWaalsContact OE2-CB 3.28Å; E352-T521 WeakPolarHBondContact OE2-CB 3.32Å; E352-T521 WeakPolarHBondContact OE2-CG2 3.49Å; E352-T521 PolarHBondContact OE2-OG1 2.9Å; C517-T521 PolarHBondContact O-N 3.45Å; C517-T521 VanDerWaalsContact O-N 3.09Å; C517-T521 PolarHBondContact O-OG1 2.68Å; E518-T521 PolarHBondContact O-N 2.99Å; T521-I523 PolarHBondContact O-N 2.89Å; T521-F524 PolarHBondContact O-N 3.17Å; T521-H525 PolarHBondContact O-CD2 3.37Å; T521-H525 PolarHBondContact O-N 3.35Å
522Q97.3Very high95.4Very high73 Ų7332.1 Ų32.134%0.34115%0.153SC..Hα-helixtrans-63.5-41.4176.5-71.5179.31600112.8L482 E518 L519 V520 F524 H525 K526L482-Q522 HydrophobicContact CD1-CB 3.78Å; L482-Q522 HydrophobicContact CD2-CB 4.13Å; E518-Q522 WeakPolarHBondContact O-CB 3.44Å; E518-Q522 VanDerWaalsContact O-CG 3.28Å; E518-Q522 WeakPolarHBondContact O-CG 3.2Å; E518-Q522 PolarHBondContact O-N 3.3Å; L519-Q522 PolarHBondContact O-N 2.93Å; V520-Q522 VanDerWaalsContact C-N 3.33Å; V520-Q522 PolarHBondContact O-N 2.63Å; Q522-F524 VanDerWaalsContact C-N 3.34Å; Q522-H525 PolarHBondContact O-N 3.06Å; Q522-K526 WeakPolarHBondContact O-CB 3.48Å; Q522-K526 PolarHBondContact O-N 3.5Å
523I97.1Very high95.5Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-61-44.7174.3-72.4162.9000110.3W404 L462 L474 V477 A478 L481 L482 L519 V520 T521 H525 K526 T527W404-I523 HydrophobicContact CH2-CD1 4.48Å; W404-I523 HydrophobicContact CZ3-CD1 4.24Å; W404-I523 HydrophobicContact CZ3-CG2 4.11Å; L462-I523 HydrophobicContact CD1-CG2 3.9Å; L474-I523 HydrophobicContact CD1-CD1 3.6Å; V477-I523 HydrophobicContact CB-CD1 4.32Å; V477-I523 HydrophobicContact CG1-CD1 3.9Å; V477-I523 HydrophobicContact CG1-CG1 4.31Å; V477-I523 HydrophobicContact CG1-CG2 4.23Å; A478-I523 HydrophobicContact CB-CD1 4.43Å; L481-I523 HydrophobicContact CD1-CG1 4.37Å; L481-I523 HydrophobicContact CD1-CG2 3.99Å; L482-I523 HydrophobicContact CD1-CG1 4Å; L482-I523 HydrophobicContact CG-CG1 4.41Å; L519-I523 WeakPolarHBondContact O-CB 3.42Å; L519-I523 WeakPolarHBondContact O-CD1 3.5Å; L519-I523 WeakPolarHBondContact O-CG1 3.41Å; L519-I523 PolarHBondContact O-N 3.13Å; V520-I523 PolarHBondContact O-N 3Å; T521-I523 PolarHBondContact O-N 2.89Å; I523-H525 VanDerWaalsContact C-N 3.35Å; I523-H525 PolarHBondContact O-N 3.22Å; I523-K526 PolarHBondContact O-N 2.74Å; I523-T527 HydrophobicContact CG2-CG2 4.37Å; I523-T527 WeakPolarHBondContact O-CB 3.47Å; I523-T527 VanDerWaalsContact O-CG2 3.31Å; I523-T527 WeakPolarHBondContact O-CG2 3.34Å; I523-T527 PolarHBondContact O-N 3.09Å; I523-T527 PolarHBondContact O-OG1 3.36Å
524F97.4Very high95.4Very high1 Ų130.9 Ų30.90%0.00415%0.149CC..Hα-helixtrans-60.7-43.4178.6-89.6-122.1000111.9W333 I402 I456 G458 V520 T521 Q522 T527 E528 I529 M530W333-F524 HydrophobicContact CZ3-CB 4.13Å; I402-F524 HydrophobicContact CB-CD1 4.33Å; I402-F524 HydrophobicContact CB-CE1 3.81Å; I402-F524 HydrophobicContact CB-CE2 4.4Å; I402-F524 HydrophobicContact CB-CZ 3.83Å; I402-F524 HydrophobicContact CD1-CB 4.49Å; I402-F524 HydrophobicContact CD1-CD1 4.1Å; I402-F524 HydrophobicContact CD1-CD2 4.39Å; I402-F524 HydrophobicContact CD1-CE1 4.42Å; I402-F524 HydrophobicContact CD1-CG 4.09Å; I402-F524 HydrophobicContact CG2-CD1 3.93Å; I402-F524 HydrophobicContact CG2-CE1 3.47Å; I402-F524 VanDerWaalsContact CG2-CE1 3.47Å; I402-F524 HydrophobicContact CG2-CZ 4.02Å; I456-F524 HydrophobicContact CB-CE1 4.08Å; I456-F524 HydrophobicContact CB-CZ 4.35Å; I456-F524 HydrophobicContact CG2-CE1 3.64Å; I456-F524 HydrophobicContact CG2-CZ 3.85Å; G458-F524 VanDerWaalsContact CA-CE2 3.48Å; V520-F524 HydrophobicContact CG1-CD2 3.9Å; V520-F524 HydrophobicContact CG1-CE2 3.76Å; V520-F524 VanDerWaalsContact O-CD2 3.23Å; V520-F524 WeakPolarHBondContact O-CD2 2.95Å; V520-F524 PolarHBondContact O-N 2.62Å; T521-F524 PolarHBondContact O-N 3.17Å; Q522-F524 VanDerWaalsContact C-N 3.34Å; F524-T527 PolarHBondContact O-OG1 3.4Å; F524-E528 PolarHBondContact O-N 3.45Å; F524-I529 HydrophobicContact CB-CG2 3.87Å; F524-I529 HydrophobicContact CD1-CG2 3.28Å; F524-I529 HydrophobicContact CD2-CG2 4.2Å; F524-I529 HydrophobicContact CE1-CG2 3.8Å; F524-I529 HydrophobicContact CG-CG2 3.51Å; F524-I529 HydrophobicContact CZ-CG2 4.47Å; F524-I529 PolarHBondContact O-N 3.49Å; F524-M530 HydrophobicContact CD1-CG 4.06Å; F524-M530 HydrophobicContact CE1-SD 4.48Å
525H95.9Very high95.1Very high112 Ų11231.7 Ų31.752%0.51915%0.153SC..Hα-helixtrans-65.9-51175.1-75.7-61.3000112.3W333 T521 Q522 I523 T527 E528W333-H525 AromaticContact CH2-CE1 3.68Å; W333-H525 AromaticContact CH2-ND1 3.91Å; W333-H525 AromaticContact CZ3-CE1 3.39Å; W333-H525 WeakPolarHBondContact CZ3-CE1 3.48Å; W333-H525 AromaticContact CZ3-ND1 3.81Å; W333-H525 AromaticContact CZ3-NE2 3.59Å; T521-H525 PolarHBondContact O-CD2 3.37Å; T521-H525 PolarHBondContact O-N 3.35Å; Q522-H525 PolarHBondContact O-N 3.06Å; I523-H525 VanDerWaalsContact C-N 3.35Å; I523-H525 PolarHBondContact O-N 3.22Å; H525-T527 PolarHBondContact O-N 2.94Å; H525-E528 PolarHBondContact O-N 2.87Å; H525-E528 VanDerWaalsContact O-N 3.08Å
526K94.6Very high94.9Very high123 Ų12329.2 Ų29.254%0.53514%0.142SC..Hα-helixtrans-62.8-30-176.4-173162.6-168.11600113.4L481 L482 Q522 I523L481-K526 HydrophobicContact CB-CD 4.42Å; L481-K526 WeakPolarHBondContact O-CD 3.39Å; L481-K526 WeakPolarHBondContact O-CE 3.38Å; L481-K526 PolarHBondContact O-NZ 2.98Å; L482-K526 HydrophobicContact CD2-CB 4.22Å; L482-K526 HydrophobicContact CD2-CD 3.57Å; Q522-K526 WeakPolarHBondContact O-CB 3.48Å; Q522-K526 PolarHBondContact O-N 3.5Å; I523-K526 PolarHBondContact O-N 2.74Å
527T91.5Very high94.9Very high12 Ų1228.8 Ų28.87%0.07414%0.14CC..THydrogen-bonded Turntrans-93.4-3.3179.560.40000113.7L462 W467 L481 I523 F524 H525 I529L462-T527 HydrophobicContact CD2-CG2 3.71Å; W467-T527 HydrophobicContact CD2-CG2 4.22Å; W467-T527 HydrophobicContact CH2-CG2 4.04Å; W467-T527 HydrophobicContact CZ2-CG2 3.69Å; W467-T527 HydrophobicContact CZ3-CG2 4.45Å; L481-T527 HydrophobicContact CD1-CG2 3.54Å; I523-T527 HydrophobicContact CG2-CG2 4.37Å; I523-T527 WeakPolarHBondContact O-CB 3.47Å; I523-T527 VanDerWaalsContact O-CG2 3.31Å; I523-T527 WeakPolarHBondContact O-CG2 3.34Å; I523-T527 PolarHBondContact O-N 3.09Å; I523-T527 PolarHBondContact O-OG1 3.36Å; F524-T527 PolarHBondContact O-OG1 3.4Å; H525-T527 PolarHBondContact O-N 2.94Å; T527-I529 PolarHBondContact O-N 3.09Å; T527-I529 VanDerWaalsContact O-N 3.17Å
528E92.7Very high94.6Very high111 Ų11130 Ų3052%0.51915%0.147SC..THydrogen-bonded Turntrans48.838.1-174.8-58.5-174.3151.100112.6F524 H525 M530 P531 F532F524-E528 PolarHBondContact O-N 3.45Å; H525-E528 PolarHBondContact O-N 2.87Å; H525-E528 VanDerWaalsContact O-N 3.08Å; E528-M530 PolarHBondContact O-N 3.31Å; E528-P531 HydrophobicContact CB-CG 4.34Å; E528-P531 WeakPolarHBondContact O-CD 3.42Å; E528-F532 PolarHBondContact O-N 3.38Å
529I93.7Very high94.3Very high1 Ų129.4 Ų29.41%0.00515%0.145CC..Hα-helixtrans-70-36.3-168.1-166.359.8000112.5A461 L462 A465 F524 T527 F532 L533A461-I529 HydrophobicContact CB-CD1 4.23Å; A461-I529 HydrophobicContact CB-CG1 3.71Å; L462-I529 HydrophobicContact CD2-CD1 4.45Å; A465-I529 HydrophobicContact CB-CD1 3.61Å; F524-I529 HydrophobicContact CB-CG2 3.87Å; F524-I529 HydrophobicContact CD1-CG2 3.28Å; F524-I529 HydrophobicContact CD2-CG2 4.2Å; F524-I529 HydrophobicContact CE1-CG2 3.8Å; F524-I529 HydrophobicContact CG-CG2 3.51Å; F524-I529 HydrophobicContact CZ-CG2 4.47Å; F524-I529 PolarHBondContact O-N 3.49Å; T527-I529 PolarHBondContact O-N 3.09Å; T527-I529 VanDerWaalsContact O-N 3.17Å; I529-F532 HydrophobicContact CD1-CB 4.44Å; I529-F532 HydrophobicContact CD1-CD1 3.86Å; I529-F532 HydrophobicContact CD1-CG 4.45Å; I529-F532 WeakPolarHBondContact O-CB 3.31Å; I529-F532 PolarHBondContact O-N 2.75Å; I529-L533 HydrophobicContact CG1-CD1 4.21Å; I529-L533 HydrophobicContact CG1-CG 4.32Å; I529-L533 WeakPolarHBondContact O-CG 3.19Å; I529-L533 PolarHBondContact O-N 2.78Å
530M95.9Very high94Very high1 Ų129.5 Ų29.51%0.00515%0.146CC..Hα-helixtrans-65.6-49.4176.8-75.2-59.2-58.600112L331 W333 V400 L454 I456 F524 E528 F532 L533 L534L331-M530 HydrophobicContact CD1-CE 3.81Å; W333-M530 HydrophobicContact CH2-CB 3.96Å; W333-M530 HydrophobicContact CH2-CG 3.84Å; W333-M530 HydrophobicContact CZ2-CB 3.53Å; W333-M530 HydrophobicContact CZ2-CG 3.46Å; W333-M530 VanDerWaalsContact CZ2-CG 3.46Å; V400-M530 HydrophobicContact CG1-CE 4.06Å; V400-M530 HydrophobicContact CG1-SD 4.15Å; V400-M530 HydrophobicContact CG2-CE 3.81Å; L454-M530 HydrophobicContact CD1-CE 4.38Å; I456-M530 HydrophobicContact CG1-SD 3.95Å; F524-M530 HydrophobicContact CD1-CG 4.06Å; F524-M530 HydrophobicContact CE1-SD 4.48Å; E528-M530 PolarHBondContact O-N 3.31Å; M530-F532 VanDerWaalsContact C-N 3.31Å; M530-F532 PolarHBondContact O-N 2.99Å; M530-L533 PolarHBondContact O-N 3.15Å; M530-L533 VanDerWaalsContact O-N 3.13Å; M530-L533 HydrophobicContact SD-CD1 4.16Å; M530-L534 WeakPolarHBondContact O-CG 3.49Å; M530-L534 PolarHBondContact O-N 2.94Å
531P92.5Very high93.8Very high61 Ų6129.3 Ų29.340%0.39615%0.145SC..Hα-helixtrans-49.2-48.8167.2-29.734.2000113.1E528 L533 L534 E535E528-P531 HydrophobicContact CB-CG 4.34Å; E528-P531 WeakPolarHBondContact O-CD 3.42Å; P531-L533 VanDerWaalsContact C-N 3.35Å; P531-L533 PolarHBondContact O-N 2.84Å; P531-L534 PolarHBondContact O-N 3.08Å; P531-E535 WeakPolarHBondContact O-CG 3.46Å; P531-E535 PolarHBondContact O-N 2.54Å
532F91.5Very high93.7Very high8 Ų828.9 Ų28.94%0.03514%0.142CC..Hα-helixtrans-55.4-46.1176171.5-97.3000113.2A465 E528 I529 M530 E535 R536 P668 Q671 A672 I675A465-F532 HydrophobicContact CB-CD1 3.74Å; A465-F532 HydrophobicContact CB-CD2 4.4Å; A465-F532 HydrophobicContact CB-CE1 3.57Å; A465-F532 HydrophobicContact CB-CE2 4.25Å; A465-F532 HydrophobicContact CB-CG 4.16Å; A465-F532 HydrophobicContact CB-CZ 3.84Å; E528-F532 PolarHBondContact O-N 3.38Å; I529-F532 HydrophobicContact CD1-CB 4.44Å; I529-F532 HydrophobicContact CD1-CD1 3.86Å; I529-F532 HydrophobicContact CD1-CG 4.45Å; I529-F532 WeakPolarHBondContact O-CB 3.31Å; I529-F532 PolarHBondContact O-N 2.75Å; M530-F532 VanDerWaalsContact C-N 3.31Å; M530-F532 PolarHBondContact O-N 2.99Å; F532-E535 PolarHBondContact O-N 3.12Å; F532-R536 VanDerWaalsContact O-CB 3.3Å; F532-R536 WeakPolarHBondContact O-CB 3.29Å; F532-R536 PolarHBondContact O-N 3.46Å; F532-P668 HydrophobicContact CB-CB 3.86Å; F532-P668 HydrophobicContact CD2-CB 4.15Å; F532-P668 WeakPolarHBondContact CD2-O 3.28Å; F532-Q671 HydrophobicContact CE2-CB 4.48Å; F532-Q671 HydrophobicContact CE2-CG 4.47Å; F532-A672 HydrophobicContact CD2-CB 4.47Å; F532-A672 HydrophobicContact CE2-CB 3.97Å; F532-I675 HydrophobicContact CZ-CD1 4.14Å
533L94.6Very high93.7Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-69.1-39-177.4-66.9172.5000112.1I456 A461 I529 M530 P531 R536 A537 V544I456-L533 HydrophobicContact CD1-CD1 4.13Å; I456-L533 HydrophobicContact CG1-CD1 4.5Å; I456-L533 HydrophobicContact CG2-CD1 3.7Å; A461-L533 HydrophobicContact CB-CD1 4.13Å; I529-L533 HydrophobicContact CG1-CD1 4.21Å; I529-L533 HydrophobicContact CG1-CG 4.32Å; I529-L533 WeakPolarHBondContact O-CG 3.19Å; I529-L533 PolarHBondContact O-N 2.78Å; M530-L533 PolarHBondContact O-N 3.15Å; M530-L533 VanDerWaalsContact O-N 3.13Å; M530-L533 HydrophobicContact SD-CD1 4.16Å; P531-L533 VanDerWaalsContact C-N 3.35Å; P531-L533 PolarHBondContact O-N 2.84Å; L533-R536 VanDerWaalsContact CD2-CZ 3.46Å; L533-R536 PolarHBondContact O-N 3.08Å; L533-A537 WeakPolarHBondContact O-CB 3.25Å; L533-A537 PolarHBondContact O-N 3.34Å; L533-V544 HydrophobicContact CB-CG1 3.67Å
534L94.7Very high93.6Very high13 Ų1326.6 Ų26.67%0.06813%0.133CC..Hα-helixtrans-63.7-43.7175.4-66.7175.1000111.5F187 L331 M530 P531 A537 T538 V544F187-L534 HydrophobicContact CD1-CD2 4.12Å; F187-L534 HydrophobicContact CE1-CD2 3.51Å; F187-L534 HydrophobicContact CE2-CB 4.43Å; F187-L534 HydrophobicContact CE2-CD2 4.15Å; F187-L534 HydrophobicContact CZ-CB 4.18Å; F187-L534 HydrophobicContact CZ-CD2 3.51Å; F187-L534 HydrophobicContact CZ-CG 4.45Å; L331-L534 HydrophobicContact CD1-CD1 4.04Å; L331-L534 HydrophobicContact CD1-CD2 4.18Å; M530-L534 WeakPolarHBondContact O-CG 3.49Å; M530-L534 PolarHBondContact O-N 2.94Å; P531-L534 PolarHBondContact O-N 3.08Å; L534-A537 PolarHBondContact O-N 3.13Å; L534-T538 WeakPolarHBondContact O-CB 3.42Å; L534-T538 PolarHBondContact O-N 3.15Å; L534-T538 PolarHBondContact O-OG1 3.1Å; L534-V544 HydrophobicContact CD2-CG1 4.18Å; L534-V544 HydrophobicContact CD2-CG2 3.96Å
535E90.8Very high93.5Very high19 Ų1928.6 Ų28.69%0.08914%0.144CC..Hα-helixtrans-63.3-47175.2-69.8-53.1145.800111.2R328 P531 F532 A537 T538 V539 L669R328-E535 IonicContact CZ-OE1 3.64Å; R328-E535 IonicContact CZ-OE2 2.99Å; R328-E535 IonicContact NE-OE1 3.62Å; R328-E535 PolarHBondContact NE-OE1 3.39Å; R328-E535 IonicContact NE-OE2 3.86Å; R328-E535 VanDerWaalsContact NH2-CD 3.29Å; R328-E535 IonicContact NH2-OE1 3.2Å; R328-E535 PolarHBondContact NH2-OE1 2.79Å; R328-E535 VanDerWaalsContact NH2-OE1 3.11Å; R328-E535 IonicContact NH2-OE2 2.78Å; R328-E535 PolarHBondContact NH2-OE2 3.08Å; P531-E535 WeakPolarHBondContact O-CG 3.46Å; P531-E535 PolarHBondContact O-N 2.54Å; F532-E535 PolarHBondContact O-N 3.12Å; E535-A537 VanDerWaalsContact C-N 3.32Å; E535-A537 PolarHBondContact O-N 3.37Å; E535-T538 WeakPolarHBondContact O-CB 3.4Å; E535-T538 PolarHBondContact O-N 2.67Å; E535-V539 WeakPolarHBondContact O-CG2 3.42Å; E535-V539 PolarHBondContact O-N 3.27Å; E535-L669 HydrophobicContact CB-CB 4.11Å; E535-L669 HydrophobicContact CB-CD1 3.93Å; E535-L669 HydrophobicContact CG-CB 3.95Å; E535-L669 HydrophobicContact CG-CD1 4.38Å; E535-L669 WeakPolarHBondContact OE2-CD1 3.42Å
536R91.2Very high93.3Very high14 Ų1428.7 Ų28.75%0.05314%0.14CC..Hα-helixtrans-58.5-43.8177.2-172.2-172.171.5-172.6-1.2112.2S464 F532 L533 V539 N540 V544 R546 H547 A672S464-R536 PolarHBondContact OG-NH1 2.92Å; F532-R536 VanDerWaalsContact O-CB 3.3Å; F532-R536 WeakPolarHBondContact O-CB 3.29Å; F532-R536 PolarHBondContact O-N 3.46Å; L533-R536 VanDerWaalsContact CD2-CZ 3.46Å; L533-R536 PolarHBondContact O-N 3.08Å; R536-V539 PolarHBondContact O-N 2.96Å; R536-N540 WeakPolarHBondContact O-CB 3.41Å; R536-N540 PolarHBondContact O-N 2.87Å; R536-N540 PolarHBondContact O-OD1 3.05Å; R536-N540 VanDerWaalsContact O-OD1 3.09Å; R536-V544 PolarHBondContact NH2-O 3.43Å; R536-R546 PolarHBondContact NH2-O 3.11Å; R536-H547 PolarHBondContact NH2-ND1 3.36Å; R536-A672 HydrophobicContact CB-CB 3.96Å; R536-A672 HydrophobicContact CG-CB 4.3Å
537A94.3Very high92.8Very high0 Ų025.3 Ų25.30%013%0.126CC..Hα-helixtrans-64.9-38.7177.500000112.3F187 L533 L534 E535 V539 N540 G541 L542 V544F187-A537 HydrophobicContact CZ-CB 4.5Å; L533-A537 WeakPolarHBondContact O-CB 3.25Å; L533-A537 PolarHBondContact O-N 3.34Å; L534-A537 PolarHBondContact O-N 3.13Å; E535-A537 VanDerWaalsContact C-N 3.32Å; E535-A537 PolarHBondContact O-N 3.37Å; A537-V539 VanDerWaalsContact C-N 3.28Å; A537-V539 PolarHBondContact O-N 3.11Å; A537-N540 WeakPolarHBondContact CA-OD1 3.49Å; A537-N540 PolarHBondContact O-OD1 2.82Å; A537-G541 WeakPolarHBondContact O-CA 3.32Å; A537-G541 PolarHBondContact O-N 2.8Å; A537-L542 WeakPolarHBondContact CB-O 3.28Å; A537-V544 HydrophobicContact CB-CB 4.43Å; A537-V544 HydrophobicContact CB-CG2 3.84Å
538T92.3Very high92.2Very high24 Ų2427.1 Ų27.115%0.14715%0.147CC..Hα-helixtrans-63-36.1175.7-60.10000111.7T302 P304 L534 E535T302-T538 WeakPolarHBondContact CB-O 3.27Å; T302-T538 VanDerWaalsContact CG2-O 3.22Å; T302-T538 WeakPolarHBondContact CG2-O 3.23Å; T302-T538 PolarHBondContact OG1-O 3.5Å; P304-T538 HydrophobicContact CG-CG2 3.7Å; L534-T538 WeakPolarHBondContact O-CB 3.42Å; L534-T538 PolarHBondContact O-N 3.15Å; L534-T538 PolarHBondContact O-OG1 3.1Å; E535-T538 WeakPolarHBondContact O-CB 3.4Å; E535-T538 PolarHBondContact O-N 2.67Å
539V89.9Confident91.9Very high22 Ų2223.2 Ų23.213%0.13314%0.137CC..Hα-helixtrans-80.6-44.7178.7178.80000112.3E535 R536 A537 L557 I654 L669 L673 I676E535-V539 WeakPolarHBondContact O-CG2 3.42Å; E535-V539 PolarHBondContact O-N 3.27Å; R536-V539 PolarHBondContact O-N 2.96Å; A537-V539 VanDerWaalsContact C-N 3.28Å; A537-V539 PolarHBondContact O-N 3.11Å; V539-L557 WeakPolarHBondContact O-CD1 3.48Å; V539-I654 HydrophobicContact CG1-CG1 4.35Å; V539-L669 HydrophobicContact CG2-CD1 3.73Å; V539-L673 HydrophobicContact CB-CD2 4.13Å; V539-L673 HydrophobicContact CG1-CD2 3.49Å; V539-L673 VanDerWaalsContact CG1-CD2 3.49Å; V539-L673 HydrophobicContact CG2-CD2 3.43Å; V539-L673 VanDerWaalsContact CG2-CD2 3.43Å; V539-L673 HydrophobicContact CG2-CG 4.06Å; V539-I676 HydrophobicContact CB-CD1 3.74Å; V539-I676 HydrophobicContact CG1-CD1 3.35Å; V539-I676 HydrophobicContact CG1-CG2 4.48Å
540N91.2Very high91.8Very high7 Ų725.4 Ų25.44%0.03715%0.152CC..Hα-helixtrans-93.6-12.4-169.177.14000114.5R536 A537 L542 A553 I676R536-N540 WeakPolarHBondContact O-CB 3.41Å; R536-N540 PolarHBondContact O-N 2.87Å; R536-N540 PolarHBondContact O-OD1 3.05Å; R536-N540 VanDerWaalsContact O-OD1 3.09Å; A537-N540 WeakPolarHBondContact CA-OD1 3.49Å; A537-N540 PolarHBondContact O-OD1 2.82Å; N540-L542 PolarHBondContact O-N 3.42Å; N540-L542 WeakPolarHBondContact OD1-CB 3.29Å; N540-L542 PolarHBondContact OD1-N 2.92Å; N540-A553 HydrophobicContact CB-CB 3.8Å; N540-A553 WeakPolarHBondContact O-CA 3.19Å; N540-I676 HydrophobicContact CB-CD1 3.73Å; N540-I676 HydrophobicContact CB-CG1 4.35Å
541G93.8Very high91.7Very high0 Ų028 Ų280%017%0.168CC..  trans74.1-2-17800000115.9R191 A537 H556R191-G541 PolarHBondContact NH1-O 2.96Å; R191-G541 VanDerWaalsContact NH1-O 3.16Å; R191-G541 PolarHBondContact NH2-O 3.02Å; A537-G541 WeakPolarHBondContact O-CA 3.32Å; A537-G541 PolarHBondContact O-N 2.8Å; G541-H556 WeakPolarHBondContact CA-CD2 3.3Å; G541-H556 PolarHBondContact O-CD2 2.9Å; G541-H556 PolarHBondContact O-NE2 2.96Å
542L95.1Very high91.7Very high5 Ų526.7 Ų26.73%0.02616%0.163CC..SBendtrans-79158.3176.6-55.8-173.1000111A537 N540 R546 A552 A553A537-L542 WeakPolarHBondContact CB-O 3.28Å; N540-L542 PolarHBondContact O-N 3.42Å; N540-L542 WeakPolarHBondContact OD1-CB 3.29Å; N540-L542 PolarHBondContact OD1-N 2.92Å; L542-R546 HydrophobicContact CB-CB 4.36Å; L542-R546 HydrophobicContact CD1-CG 4.43Å; L542-A552 HydrophobicContact CD2-CB 3.76Å; L542-A553 HydrophobicContact CD1-CB 4.15Å; L542-A553 HydrophobicContact CG-CB 4.2Å
543P96.4Very high91.9Very high24 Ų2426.5 Ų26.516%0.15616%0.163CC..  trans-55.5149.9169.3-24.335.9000111.7D545 R546P543-D545 VanDerWaalsContact C-N 3.29Å; P543-D545 WeakPolarHBondContact CB-OD1 3.48Å; P543-D545 PolarHBondContact O-N 3.09Å; P543-R546 HydrophobicContact CB-CB 4.23Å; P543-R546 HydrophobicContact CG-CB 4.47Å; P543-R546 WeakPolarHBondContact O-CB 3.29Å; P543-R546 PolarHBondContact O-N 2.9Å
544V96.7Very high91.9Very high0 Ų026.6 Ų26.60%016%0.163CC..THydrogen-bonded Turntrans-57.9-41.8-174.9-177.50000112.2F187 L454 L533 L534 R536 A537 R546F187-V544 HydrophobicContact CE1-CG2 3.56Å; F187-V544 HydrophobicContact CZ-CG2 4.14Å; L454-V544 HydrophobicContact CD1-CB 3.65Å; L454-V544 HydrophobicContact CD1-CG1 3.76Å; L454-V544 HydrophobicContact CD1-CG2 3.96Å; L454-V544 HydrophobicContact CD2-CB 3.96Å; L454-V544 HydrophobicContact CD2-CG2 4.37Å; L454-V544 HydrophobicContact CG-CB 4.45Å; L533-V544 HydrophobicContact CB-CG1 3.67Å; L534-V544 HydrophobicContact CD2-CG1 4.18Å; L534-V544 HydrophobicContact CD2-CG2 3.96Å; R536-V544 PolarHBondContact NH2-O 3.43Å; A537-V544 HydrophobicContact CB-CB 4.43Å; A537-V544 HydrophobicContact CB-CG2 3.84Å; V544-R546 VanDerWaalsContact C-N 3.27Å; V544-R546 PolarHBondContact O-N 3.32Å
545D94Very high92Very high44 Ų4426.4 Ų26.424%0.23516%0.164CC..THydrogen-bonded Turntrans-77.9-3.9179.258.32.8000114.2I455 I456 P543 H547I455-D545 WeakPolarHBondContact O-CB 3.46Å; I456-D545 HydrophobicContact CD1-CB 3.58Å; P543-D545 VanDerWaalsContact C-N 3.29Å; P543-D545 WeakPolarHBondContact CB-OD1 3.48Å; P543-D545 PolarHBondContact O-N 3.09Å; D545-H547 PolarHBondContact O-N 2.88Å
546R91.2Very high92.3Very high113 Ų11325.9 Ų25.943%0.42616%0.161SC..  trans-88.9100.5178.2-171.1173.1-179.1176.90.1111.1R536 L542 P543 V544R536-R546 PolarHBondContact NH2-O 3.11Å; L542-R546 HydrophobicContact CB-CB 4.36Å; L542-R546 HydrophobicContact CD1-CG 4.43Å; P543-R546 HydrophobicContact CB-CB 4.23Å; P543-R546 HydrophobicContact CG-CB 4.47Å; P543-R546 WeakPolarHBondContact O-CB 3.29Å; P543-R546 PolarHBondContact O-N 2.9Å; V544-R546 VanDerWaalsContact C-N 3.27Å; V544-R546 PolarHBondContact O-N 3.32Å
547H84.6Confident92.5Very high52 Ų5226.1 Ų26.124%0.24116%0.164CC..  trans-78148.3173.2-47.7-72.5000112.5A461 S464 R536 D545A461-H547 VanDerWaalsContact CA-CE1 3.49Å; A461-H547 WeakPolarHBondContact CA-CE1 3.33Å; S464-H547 PolarHBondContact OG-ND1 2.76Å; R536-H547 PolarHBondContact NH2-ND1 3.36Å; D545-H547 PolarHBondContact O-N 2.88Å
548G79.6Confident92.6Very high50 Ų5026.1 Ų26.152%0.51516%0.164SC..  trans69.6-130.6-17900000112.5S550G548-S550 PolarHBondContact O-N 3.14Å
549G86Confident92.9Very high30 Ų3025.3 Ų25.331%0.30916%0.158SC..  trans7326.5172.300000115.6V551 A552 A553G549-V551 PolarHBondContact O-N 3.44Å; G549-V551 VanDerWaalsContact O-N 3.08Å; G549-A552 WeakPolarHBondContact O-CA 3.46Å; G549-A552 WeakPolarHBondContact O-CB 3.28Å; G549-A552 PolarHBondContact O-N 3.14Å; G549-A553 PolarHBondContact O-N 3.04Å
550S90.9Very high93.3Very high47 Ų4724.3 Ų24.333%0.32915%0.152SC..Hα-helixtrans-51.3-36.5-176.8-49.90000114.4G548 A553 F554G548-S550 PolarHBondContact O-N 3.14Å; S550-A553 PolarHBondContact O-N 3.35Å; S550-F554 WeakPolarHBondContact O-CB 3.35Å; S550-F554 PolarHBondContact O-N 3.32Å
551V93.6Very high93.6Very high55 Ų5526.6 Ų26.633%0.33316%0.16SC..Hα-helixtrans-64.5-43.9175.5176.60000111.6G549 F554 G555 V683 C689G549-V551 PolarHBondContact O-N 3.44Å; G549-V551 VanDerWaalsContact O-N 3.08Å; V551-F554 PolarHBondContact O-N 2.95Å; V551-G555 PolarHBondContact O-N 2.68Å; V551-V683 HydrophobicContact CG2-CB 4.36Å; V551-V683 HydrophobicContact CG2-CG1 3.9Å; V551-C689 HydrophobicContact CG1-CB 4.28Å; V551-C689 HydrophobicContact CG2-CB 4.27Å
552A93.8Very high93.8Very high34 Ų3426.6 Ų26.628%0.28116%0.16SC..Hα-helixtrans-69.4-39178.700000111.5L542 G549 G555 H556L542-A552 HydrophobicContact CD2-CB 3.76Å; G549-A552 WeakPolarHBondContact O-CA 3.46Å; G549-A552 WeakPolarHBondContact O-CB 3.28Å; G549-A552 PolarHBondContact O-N 3.14Å; A552-G555 PolarHBondContact O-N 3.43Å; A552-H556 WeakPolarHBondContact O-CB 3.47Å; A552-H556 PolarHBondContact O-N 2.95Å
553A94.5Very high94Very high4 Ų427.2 Ų27.23%0.03316%0.163CC..Hα-helixtrans-61.8-46.2174.100000111.6N540 L542 G549 S550 G555 H556 L557N540-A553 HydrophobicContact CB-CB 3.8Å; N540-A553 WeakPolarHBondContact O-CA 3.19Å; L542-A553 HydrophobicContact CD1-CB 4.15Å; L542-A553 HydrophobicContact CG-CB 4.2Å; G549-A553 PolarHBondContact O-N 3.04Å; S550-A553 PolarHBondContact O-N 3.35Å; A553-G555 PolarHBondContact O-N 3.23Å; A553-H556 PolarHBondContact O-N 3.48Å; A553-L557 WeakPolarHBondContact O-CG 3.34Å; A553-L557 PolarHBondContact O-N 2.85Å; A553-L557 VanDerWaalsContact O-N 3.13Å
554F95.7Very high94Very high1 Ų133.5 Ų33.50%0.00418%0.184CC..Hα-helixtrans-56.4-52174.6-174-79.8000110.5S550 V551 H556 L557 Y558 P616 L647 F680 V683 L684 F691S550-F554 WeakPolarHBondContact O-CB 3.35Å; S550-F554 PolarHBondContact O-N 3.32Å; V551-F554 PolarHBondContact O-N 2.95Å; F554-H556 VanDerWaalsContact C-N 3.33Å; F554-H556 PolarHBondContact O-N 3.28Å; F554-L557 PolarHBondContact O-N 3.11Å; F554-Y558 HydrophobicContact CD1-CG 4.28Å; F554-Y558 HydrophobicContact CE1-CD1 4.09Å; F554-Y558 AromaticContact CE1-CD2 3.73Å; F554-Y558 HydrophobicContact CE1-CD2 3.73Å; F554-Y558 HydrophobicContact CE1-CE2 4.36Å; F554-Y558 AromaticContact CE1-CG 3.59Å; F554-Y558 HydrophobicContact CE1-CG 3.59Å; F554-Y558 AromaticContact CZ-CD2 3.72Å; F554-Y558 HydrophobicContact CZ-CD2 3.72Å; F554-Y558 HydrophobicContact CZ-CE2 4.11Å; F554-Y558 HydrophobicContact CZ-CG 4.09Å; F554-Y558 WeakPolarHBondContact O-CB 3.49Å; F554-Y558 PolarHBondContact O-N 3.02Å; F554-P616 HydrophobicContact CZ-CG 4.25Å; F554-L647 HydrophobicContact CD2-CD1 4.41Å; F554-L647 HydrophobicContact CE2-CD1 3.55Å; F554-L647 HydrophobicContact CE2-CD2 4.1Å; F554-L647 HydrophobicContact CE2-CG 4.45Å; F554-L647 HydrophobicContact CZ-CD1 4.08Å; F554-L647 HydrophobicContact CZ-CD2 4.39Å; F554-F680 HydrophobicContact CB-CD1 4.32Å; F554-F680 HydrophobicContact CB-CE1 4.14Å; F554-F680 HydrophobicContact CD2-CB 4.22Å; F554-F680 AromaticContact CD2-CD1 3.85Å; F554-F680 HydrophobicContact CD2-CD1 3.85Å; F554-F680 HydrophobicContact CD2-CD2 4.36Å; F554-F680 HydrophobicContact CD2-CE1 4.27Å; F554-F680 AromaticContact CD2-CG 3.9Å; F554-F680 HydrophobicContact CD2-CG 3.9Å; F554-F680 HydrophobicContact CE2-CB 4.47Å; F554-F680 HydrophobicContact CE2-CG 4.46Å; F554-V683 HydrophobicContact CB-CG2 4.05Å; F554-V683 HydrophobicContact CD2-CG2 3.48Å; F554-V683 VanDerWaalsContact CD2-CG2 3.48Å; F554-V683 HydrophobicContact CE2-CG2 4.04Å; F554-V683 HydrophobicContact CG-CG2 3.8Å; F554-L684 HydrophobicContact CE1-CD2 4.5Å; F554-L684 HydrophobicContact CE2-CD2 4.05Å; F554-L684 HydrophobicContact CZ-CD2 3.83Å; F554-F691 AromaticContact CD1-CD2 3.56Å; F554-F691 HydrophobicContact CD1-CD2 3.56Å; F554-F691 AromaticContact CD1-CE2 3.84Å; F554-F691 HydrophobicContact CD1-CE2 3.84Å; F554-F691 HydrophobicContact CE1-CB 4.28Å; F554-F691 AromaticContact CE1-CD2 3.33Å; F554-F691 HydrophobicContact CE1-CD2 3.33Å; F554-F691 AromaticContact CE1-CE2 3.76Å; F554-F691 HydrophobicContact CE1-CE2 3.76Å; F554-F691 AromaticContact CE1-CG 3.89Å; F554-F691 HydrophobicContact CE1-CG 3.89Å; F554-F691 HydrophobicContact CZ-CD2 4.5Å
555G95.9Very high94Very high9 Ų934.4 Ų34.49%0.09319%0.191CC..Hα-helixtrans-54.6-47.6177.200000112.5V551 A552 A553 L557 Y558 F559V551-G555 PolarHBondContact O-N 2.68Å; A552-G555 PolarHBondContact O-N 3.43Å; A553-G555 PolarHBondContact O-N 3.23Å; G555-L557 VanDerWaalsContact C-N 3.34Å; G555-L557 PolarHBondContact O-N 3.32Å; G555-Y558 PolarHBondContact O-N 3.34Å; G555-F559 WeakPolarHBondContact O-CB 3.39Å; G555-F559 WeakPolarHBondContact O-CD1 3.48Å; G555-F559 WeakPolarHBondContact O-CG 3.38Å; G555-F559 PolarHBondContact O-N 2.98Å
556H97.2Very high94.2Very high8 Ų833.2 Ų33.24%0.03719%0.189CC..Hα-helixtrans-61.4-38.2-177.8-166.4-9.9000114M297 I301 G541 A552 A553 F554 P560M297-H556 VanDerWaalsContact CA-CE1 3.44Å; M297-H556 WeakPolarHBondContact CA-CE1 3.26Å; M297-H556 HydrophobicContact CE-CB 4.41Å; I301-H556 PolarHBondContact O-CE1 2.75Å; I301-H556 PolarHBondContact O-NE2 3.43Å; G541-H556 WeakPolarHBondContact CA-CD2 3.3Å; G541-H556 PolarHBondContact O-CD2 2.9Å; G541-H556 PolarHBondContact O-NE2 2.96Å; A552-H556 WeakPolarHBondContact O-CB 3.47Å; A552-H556 PolarHBondContact O-N 2.95Å; A553-H556 PolarHBondContact O-N 3.48Å; F554-H556 VanDerWaalsContact C-N 3.33Å; F554-H556 PolarHBondContact O-N 3.28Å; H556-P560 WeakPolarHBondContact O-CD 3.46Å
557L95.6Very high94.6Very high20 Ų2027.9 Ų27.911%0.10517%0.169CC..Hα-helixtrans-82.3-29.2178.4-57.7-172.1000112.8T302 V539 A553 F554 G555 R561 I650 I654 F680T302-L557 HydrophobicContact CG2-CD2 4.34Å; V539-L557 WeakPolarHBondContact O-CD1 3.48Å; A553-L557 WeakPolarHBondContact O-CG 3.34Å; A553-L557 PolarHBondContact O-N 2.85Å; A553-L557 VanDerWaalsContact O-N 3.13Å; F554-L557 PolarHBondContact O-N 3.11Å; G555-L557 VanDerWaalsContact C-N 3.34Å; G555-L557 PolarHBondContact O-N 3.32Å; L557-R561 PolarHBondContact O-NH1 2.96Å; L557-I650 HydrophobicContact CB-CD1 4.29Å; L557-I650 HydrophobicContact CB-CG2 4.27Å; L557-I650 HydrophobicContact CD1-CG2 4.07Å; L557-I654 HydrophobicContact CD1-CD1 4.18Å; L557-F680 HydrophobicContact CD1-CE2 4.16Å; L557-F680 HydrophobicContact CD1-CZ 3.77Å
558Y97.8Very high95.2Very high0 Ų025.4 Ų25.40%016%0.158CC..Hα-helixtrans-83.3-45.2-172.6-161.9-97.8000113.1F554 G555 R561 M562 D615 P616 V617 C646 L647 I650 F691F554-Y558 HydrophobicContact CD1-CG 4.28Å; F554-Y558 HydrophobicContact CE1-CD1 4.09Å; F554-Y558 AromaticContact CE1-CD2 3.73Å; F554-Y558 HydrophobicContact CE1-CD2 3.73Å; F554-Y558 HydrophobicContact CE1-CE2 4.36Å; F554-Y558 AromaticContact CE1-CG 3.59Å; F554-Y558 HydrophobicContact CE1-CG 3.59Å; F554-Y558 AromaticContact CZ-CD2 3.72Å; F554-Y558 HydrophobicContact CZ-CD2 3.72Å; F554-Y558 HydrophobicContact CZ-CE2 4.11Å; F554-Y558 HydrophobicContact CZ-CG 4.09Å; F554-Y558 WeakPolarHBondContact O-CB 3.49Å; F554-Y558 PolarHBondContact O-N 3.02Å; G555-Y558 PolarHBondContact O-N 3.34Å; Y558-R561 PolarHBondContact O-N 3.05Å; Y558-R561 VanDerWaalsContact O-N 3.16Å; Y558-M562 HydrophobicContact CD1-CB 3.92Å; Y558-M562 HydrophobicContact CD1-CG 4.41Å; Y558-M562 HydrophobicContact CD1-SD 4.18Å; Y558-M562 HydrophobicContact CE1-CB 3.87Å; Y558-M562 HydrophobicContact CE1-CG 4.08Å; Y558-M562 HydrophobicContact CE1-SD 4.13Å; Y558-M562 WeakPolarHBondContact O-CB 3.44Å; Y558-M562 PolarHBondContact O-N 2.99Å; Y558-D615 WeakPolarHBondContact CE2-OD1 3.15Å; Y558-D615 PolarHBondContact OH-OD1 3.06Å; Y558-D615 PolarHBondContact OH-OD2 2.66Å; Y558-D615 VanDerWaalsContact OH-OD2 3.1Å; Y558-P616 HydrophobicContact CE1-CB 4.17Å; Y558-P616 HydrophobicContact CE1-CG 4.2Å; Y558-P616 HydrophobicContact CE2-CG 4.24Å; Y558-P616 WeakPolarHBondContact OH-CB 3.2Å; Y558-P616 VanDerWaalsContact OH-CD 3.23Å; Y558-P616 WeakPolarHBondContact OH-CD 3.43Å; Y558-V617 HydrophobicContact CE1-CG2 4.27Å; Y558-V617 PolarHBondContact OH-N 3.44Å; Y558-C646 HydrophobicContact CD2-CB 4.15Å; Y558-C646 HydrophobicContact CE2-CB 3.54Å; Y558-L647 HydrophobicContact CE2-CB 4.03Å; Y558-I650 HydrophobicContact CD2-CD1 3.85Å; Y558-F691 HydrophobicContact CD1-CD1 4.41Å; Y558-F691 AromaticContact CD1-CE1 3.76Å; Y558-F691 HydrophobicContact CD1-CE1 3.76Å; Y558-F691 HydrophobicContact CD1-CE2 4.01Å; Y558-F691 AromaticContact CD1-CZ 3.53Å; Y558-F691 HydrophobicContact CD1-CZ 3.53Å; Y558-F691 HydrophobicContact CE1-CD1 4.24Å; Y558-F691 AromaticContact CE1-CE1 3.81Å; Y558-F691 HydrophobicContact CE1-CE1 3.81Å; Y558-F691 HydrophobicContact CE1-CZ 4.09Å; Y558-F691 HydrophobicContact CG-CZ 4.45Å
559F98.1Very high96.1Very high6 Ų623 Ų233%0.02613%0.133CC..Hα-helixtrans-50.6-52.4-175.4-86.147.5000114.3E286 V289 M297 G555 R561 M562 H563 A569 F691E286-F559 HydrophobicContact CB-CE2 4.48Å; E286-F559 HydrophobicContact CG-CE2 3.83Å; E286-F559 HydrophobicContact CG-CZ 4.42Å; E286-F559 WeakPolarHBondContact OE2-CE2 3.47Å; V289-F559 HydrophobicContact CG2-CD2 4.41Å; V289-F559 HydrophobicContact CG2-CE2 3.7Å; V289-F559 HydrophobicContact CG2-CZ 4.47Å; M297-F559 HydrophobicContact CG-CB 3.83Å; M297-F559 HydrophobicContact SD-CB 3.29Å; M297-F559 WeakPolarHBondContact SD-CB 3.44Å; M297-F559 HydrophobicContact SD-CD1 4.39Å; M297-F559 HydrophobicContact SD-CD2 3.46Å; M297-F559 WeakPolarHBondContact SD-CD2 3.33Å; M297-F559 HydrophobicContact SD-CE2 4.37Å; M297-F559 HydrophobicContact SD-CG 3.47Å; M297-F559 WeakPolarHBondContact SD-CG 3.43Å; G555-F559 WeakPolarHBondContact O-CB 3.39Å; G555-F559 WeakPolarHBondContact O-CD1 3.48Å; G555-F559 WeakPolarHBondContact O-CG 3.38Å; G555-F559 PolarHBondContact O-N 2.98Å; F559-R561 VanDerWaalsContact C-N 3.26Å; F559-R561 PolarHBondContact O-N 2.89Å; F559-M562 HydrophobicContact CG-CE 4.36Å; F559-M562 PolarHBondContact O-N 2.82Å; F559-H563 AromaticContact CD2-CE1 3.91Å; F559-H563 VanDerWaalsContact O-CG 3.26Å; F559-H563 PolarHBondContact O-N 2.95Å; F559-H563 PolarHBondContact O-ND1 3.3Å; F559-H563 VanDerWaalsContact O-ND1 3.14Å; F559-A569 HydrophobicContact CE1-CB 3.92Å; F559-A569 HydrophobicContact CE2-CB 4.11Å; F559-A569 HydrophobicContact CZ-CB 3.59Å; F559-F691 HydrophobicContact CD1-CE2 4.32Å; F559-F691 HydrophobicContact CD1-CZ 4.04Å; F559-F691 AromaticContact CE1-CE2 3.84Å; F559-F691 HydrophobicContact CE1-CE2 3.84Å; F559-F691 AromaticContact CE1-CZ 3.69Å; F559-F691 HydrophobicContact CE1-CZ 3.69Å
560P97.5Very high96.7Very high2 Ų221.9 Ų21.91%0.01312%0.12CC..Hα-helixtrans-62.5-36.3-176.124.5-34.3000111.8M297 F300 H556 R564M297-P560 VanDerWaalsContact O-CB 3.3Å; M297-P560 WeakPolarHBondContact O-CB 3.3Å; M297-P560 WeakPolarHBondContact O-CG 3.34Å; F300-P560 HydrophobicContact CD1-CB 4.11Å; F300-P560 HydrophobicContact CD1-CG 3.92Å; F300-P560 HydrophobicContact CD2-CB 4.47Å; F300-P560 HydrophobicContact CE1-CB 3.74Å; F300-P560 HydrophobicContact CE1-CG 3.81Å; F300-P560 HydrophobicContact CE2-CB 4.12Å; F300-P560 HydrophobicContact CG-CB 4.47Å; F300-P560 HydrophobicContact CZ-CB 3.75Å; F300-P560 HydrophobicContact CZ-CG 4.34Å; H556-P560 WeakPolarHBondContact O-CD 3.46Å; P560-R564 VanDerWaalsContact O-CG 3.31Å; P560-R564 WeakPolarHBondContact O-CG 3.1Å; P560-R564 PolarHBondContact O-N 3.41Å; P560-R564 VanDerWaalsContact O-N 3.14Å
561R97.7Very high96.9Very high54 Ų5421.8 Ų21.820%0.20412%0.116CC..Hα-helixtrans-70.8-44.8177.4-66.5176173.372.95.9111.4F300 L557 Y558 F559 H563 R564 A565 C646F300-R561 HydrophobicContact CE1-CG 3.86Å; F300-R561 HydrophobicContact CZ-CG 4.47Å; L557-R561 PolarHBondContact O-NH1 2.96Å; Y558-R561 PolarHBondContact O-N 3.05Å; Y558-R561 VanDerWaalsContact O-N 3.16Å; F559-R561 VanDerWaalsContact C-N 3.26Å; F559-R561 PolarHBondContact O-N 2.89Å; R561-H563 VanDerWaalsContact C-N 3.33Å; R561-H563 PolarHBondContact O-N 2.97Å; R561-R564 CarbonylContact O-C 3.42Å; R561-R564 PolarHBondContact O-N 3.13Å; R561-R564 VanDerWaalsContact O-N 3.13Å; R561-A565 WeakPolarHBondContact O-CB 3.46Å; R561-A565 PolarHBondContact O-N 2.86Å; R561-C646 HydrophobicContact CB-CB 3.88Å
562M98.4Very high96.9Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-57.9-43.2175.1178.7-163.571.400111.8F254 Y558 F559 A565 G566 Y567 A569 V617 F691F254-M562 HydrophobicContact CE1-CG 4.22Å; F254-M562 HydrophobicContact CE1-SD 3.77Å; F254-M562 HydrophobicContact CZ-SD 4Å; Y558-M562 HydrophobicContact CD1-CB 3.92Å; Y558-M562 HydrophobicContact CD1-CG 4.41Å; Y558-M562 HydrophobicContact CD1-SD 4.18Å; Y558-M562 HydrophobicContact CE1-CB 3.87Å; Y558-M562 HydrophobicContact CE1-CG 4.08Å; Y558-M562 HydrophobicContact CE1-SD 4.13Å; Y558-M562 WeakPolarHBondContact O-CB 3.44Å; Y558-M562 PolarHBondContact O-N 2.99Å; F559-M562 HydrophobicContact CG-CE 4.36Å; F559-M562 PolarHBondContact O-N 2.82Å; M562-A565 CarbonylContact O-C 3.55Å; M562-A565 WeakPolarHBondContact O-CA 3.28Å; M562-A565 WeakPolarHBondContact O-CB 3.19Å; M562-A565 PolarHBondContact O-N 3.06Å; M562-A565 VanDerWaalsContact O-N 3.14Å; M562-G566 PolarHBondContact O-N 2.82Å; M562-Y567 CarbonylContact C-O 3.51Å; M562-Y567 PolarHBondContact O-N 3.14Å; M562-A569 HydrophobicContact CE-CB 3.76Å; M562-A569 HydrophobicContact SD-CB 3.97Å; M562-V617 HydrophobicContact CB-CG2 4.26Å; M562-V617 HydrophobicContact CG-CG2 3.7Å; M562-F691 HydrophobicContact SD-CE1 3.73Å; M562-F691 HydrophobicContact SD-CZ 3.98Å
563H98.3Very high96.8Very high18 Ų1826.3 Ų26.38%0.08315%0.151CC..Hα-helixtrans-64.2-40.8174.6-63.1141.9000112.5L251 E286 R294 E298 F559 R561 A565 G566 Y567L251-H563 WeakPolarHBondContact CD2-O 3.49Å; E286-H563 IonicContact OE1-CE1 2.89Å; E286-H563 IonicContact OE1-NE2 2.62Å; E286-H563 PolarHBondContact OE1-NE2 2.8Å; E286-H563 IonicContact OE2-CE1 3.22Å; E286-H563 IonicContact OE2-NE2 2.63Å; E286-H563 PolarHBondContact OE2-NE2 3Å; R294-H563 PolarHBondContact NH1-CE1 2.76Å; R294-H563 VanDerWaalsContact NH1-CE1 3.27Å; E298-H563 IonicContact OE1-CE1 2.97Å; E298-H563 PolarHBondContact OE1-CE1 3.16Å; E298-H563 IonicContact OE1-ND1 2.69Å; E298-H563 PolarHBondContact OE1-ND1 3.28Å; E298-H563 IonicContact OE2-CE1 2.67Å; E298-H563 IonicContact OE2-CG 3.67Å; E298-H563 IonicContact OE2-ND1 2.64Å; E298-H563 PolarHBondContact OE2-ND1 3.18Å; F559-H563 AromaticContact CD2-CE1 3.91Å; F559-H563 VanDerWaalsContact O-CG 3.26Å; F559-H563 PolarHBondContact O-N 2.95Å; F559-H563 PolarHBondContact O-ND1 3.3Å; F559-H563 VanDerWaalsContact O-ND1 3.14Å; R561-H563 VanDerWaalsContact C-N 3.33Å; R561-H563 PolarHBondContact O-N 2.97Å; H563-A565 VanDerWaalsContact C-N 3.25Å; H563-A565 PolarHBondContact O-N 3.25Å; H563-G566 PolarHBondContact O-N 3.42Å; H563-G566 VanDerWaalsContact O-N 3.07Å; H563-Y567 WeakPolarHBondContact CA-O 3.14Å; H563-Y567 PolarHBondContact CD2-O 2.72Å
564R96.9Very high96.6Very high156 Ų15629 Ų2959%0.58916%0.163SC*.Hα-helixtrans-65.2-30.6173.4-62.8-53.6176.8-79.9-4.4112.1E298 P560 R561 G566E298-R564 PolarHBondContact O-NH2 2.7Å; E298-R564 VanDerWaalsContact O-NH2 3.16Å; E298-R564 IonicContact OE2-NH1 2.92Å; P560-R564 VanDerWaalsContact O-CG 3.31Å; P560-R564 WeakPolarHBondContact O-CG 3.1Å; P560-R564 PolarHBondContact O-N 3.41Å; P560-R564 VanDerWaalsContact O-N 3.14Å; R561-R564 CarbonylContact O-C 3.42Å; R561-R564 PolarHBondContact O-N 3.13Å; R561-R564 VanDerWaalsContact O-N 3.13Å; R564-G566 PolarHBondContact O-N 2.68Å
565A97.1Very high96.4Very high19 Ų1931 Ų3116%0.15718%0.175CC..THydrogen-bonded Turntrans-73.5-7.7173.400000113.5R561 M562 H563 V617 K644R561-A565 WeakPolarHBondContact O-CB 3.46Å; R561-A565 PolarHBondContact O-N 2.86Å; M562-A565 CarbonylContact O-C 3.55Å; M562-A565 WeakPolarHBondContact O-CA 3.28Å; M562-A565 WeakPolarHBondContact O-CB 3.19Å; M562-A565 PolarHBondContact O-N 3.06Å; M562-A565 VanDerWaalsContact O-N 3.14Å; H563-A565 VanDerWaalsContact C-N 3.25Å; H563-A565 PolarHBondContact O-N 3.25Å; A565-V617 HydrophobicContact CB-CG1 4.11Å; A565-K644 HydrophobicContact CB-CD 4.09Å; A565-K644 HydrophobicContact CB-CG 4.18Å; A565-K644 WeakPolarHBondContact O-CD 3.41Å; A565-K644 PolarHBondContact O-NZ 2.88Å
566G97.9Very high96.1Very high19 Ų1935.4 Ų35.420%0.19620%0.202CC..THydrogen-bonded Turntrans94.515.9175.400000114.8L251 K252 M562 H563 R564L251-G566 CarbonylContact C-O 3.47Å; L251-G566 WeakPolarHBondContact CA-O 3.41Å; K252-G566 PolarHBondContact N-O 2.87Å; M562-G566 PolarHBondContact O-N 2.82Å; H563-G566 PolarHBondContact O-N 3.42Å; H563-G566 VanDerWaalsContact O-N 3.07Å; R564-G566 PolarHBondContact O-N 2.68Å
567Y98.6Very high95.8Very high2 Ų240.1 Ų40.11%0.00823%0.233CC..BIsolated β-bridgetrans-120.7150.5-177.7-70.5-86.2000113.2K252 D253 F254 R256 M562 H563 V617 V620 E621 K644K252-Y567 HydrophobicContact CB-CD1 4.06Å; K252-Y567 HydrophobicContact CB-CE1 4Å; K252-Y567 CarbonylContact O-C 3.52Å; K252-Y567 WeakPolarHBondContact O-CA 3.5Å; D253-Y567 VanDerWaalsContact O-CD1 3.29Å; D253-Y567 WeakPolarHBondContact O-CD1 3.45Å; D253-Y567 WeakPolarHBondContact O-CE1 3.35Å; F254-Y567 HydrophobicContact CD1-CD1 4.33Å; R256-Y567 HydrophobicContact CG-CE1 4.46Å; M562-Y567 CarbonylContact C-O 3.51Å; M562-Y567 PolarHBondContact O-N 3.14Å; H563-Y567 WeakPolarHBondContact CA-O 3.14Å; H563-Y567 PolarHBondContact CD2-O 2.72Å; Y567-V617 HydrophobicContact CD2-CG1 3.63Å; Y567-V617 HydrophobicContact CD2-CG2 4.24Å; Y567-V617 HydrophobicContact CE2-CG1 3.86Å; Y567-V617 HydrophobicContact CG-CG2 4.44Å; Y567-V620 HydrophobicContact CE1-CG1 3.7Å; Y567-E621 HydrophobicContact CE2-CG 4.1Å; Y567-E621 WeakPolarHBondContact CE2-OE1 3.29Å; Y567-E621 PolarHBondContact OH-OE1 3.03Å; Y567-K644 HydrophobicContact CE2-CD 4.35Å
568V98.5Very high95.6Very high0 Ų045 Ų450%026%0.255CS..  trans-106.2152.7167.7-600000110.3F225 L251 K252 D253 F254 V259 Y285 E286F225-V568 HydrophobicContact CB-CB 4.42Å; F225-V568 HydrophobicContact CB-CG1 4.24Å; F225-V568 HydrophobicContact CB-CG2 4.12Å; F225-V568 HydrophobicContact CD1-CG1 3.83Å; F225-V568 HydrophobicContact CD2-CB 3.8Å; F225-V568 HydrophobicContact CD2-CG1 3.55Å; F225-V568 HydrophobicContact CD2-CG2 4.39Å; F225-V568 HydrophobicContact CE1-CG1 3.99Å; F225-V568 HydrophobicContact CE2-CB 4.24Å; F225-V568 HydrophobicContact CE2-CG1 3.73Å; F225-V568 HydrophobicContact CG-CB 4.1Å; F225-V568 HydrophobicContact CG-CG1 3.59Å; F225-V568 HydrophobicContact CG-CG2 4.33Å; F225-V568 HydrophobicContact CZ-CG1 3.95Å; L251-V568 HydrophobicContact CB-CG1 4.14Å; L251-V568 HydrophobicContact CD1-CG1 3.83Å; K252-V568 PolarHBondContact O-N 3.13Å; D253-V568 HydrophobicContact CB-CG2 4.17Å; F254-V568 WeakPolarHBondContact CD1-O 3.49Å; F254-V568 WeakPolarHBondContact CE1-O 3.27Å; V259-V568 HydrophobicContact CG1-CG2 4.09Å; V259-V568 HydrophobicContact CG2-CG1 4.12Å; V259-V568 HydrophobicContact CG2-CG2 4.16Å; Y285-V568 HydrophobicContact CD2-CG2 4.09Å; Y285-V568 HydrophobicContact CG-CG2 4.45Å; E286-V568 WeakPolarHBondContact OE1-CA 3.5Å; E286-V568 WeakPolarHBondContact OE1-CB 3.45Å
569A98.4Very high95.2Very high0 Ų049 Ų490%029%0.289CS..PPolyproline II helixtrans-71.5141.1-171.800000112.1Y285 E286 F559 M562 F691Y285-A569 WeakPolarHBondContact CB-O 3.22Å; Y285-A569 WeakPolarHBondContact CD1-O 3.19Å; E286-A569 HydrophobicContact CG-CB 3.93Å; E286-A569 PolarHBondContact OE1-N 3.39Å; F559-A569 HydrophobicContact CE1-CB 3.92Å; F559-A569 HydrophobicContact CE2-CB 4.11Å; F559-A569 HydrophobicContact CZ-CB 3.59Å; M562-A569 HydrophobicContact CE-CB 3.76Å; M562-A569 HydrophobicContact SD-CB 3.97Å; A569-F691 HydrophobicContact CB-CE1 4.07Å; A569-F691 HydrophobicContact CB-CZ 3.88Å
570P97.8Very high94.7Very high6 Ų650.6 Ų50.64%0.03930%0.301CS..PPolyproline II helixtrans-66169.6171.531.5-37.8000111.1F254 R690 F691F254-P570 HydrophobicContact CB-CB 4.49Å; F254-P570 HydrophobicContact CD2-CB 4.37Å; F254-P570 HydrophobicContact CD2-CG 3.84Å; F254-P570 HydrophobicContact CE2-CG 4Å; F254-P570 HydrophobicContact CG-CB 4.37Å; F254-P570 HydrophobicContact CG-CG 4.2Å; F254-P570 HydrophobicContact CZ-CG 4.48Å; P570-R690 WeakPolarHBondContact CG-O 3.43Å; P570-R690 WeakPolarHBondContact O-CB 3.23Å; P570-R690 VanDerWaalsContact O-CZ 3.28Å; P570-R690 PolarHBondContact O-NE 3.14Å; P570-R690 PolarHBondContact O-NH2 2.91Å; P570-F691 HydrophobicContact CG-CD1 4.12Å; P570-F691 HydrophobicContact CG-CE1 4.39Å
571N96.1Very high94.3Very high44 Ų4453 Ų5324%0.23532%0.316CS..PPolyproline II helixtrans-94.8167.5169.4-73.9-35.4000112.1V284 E574 R690V284-N571 PolarHBondContact O-ND2 3.47Å; N571-E574 WeakPolarHBondContact CB-OE1 3.47Å; N571-E574 PolarHBondContact N-OE1 2.93Å; N571-R690 PolarHBondContact OD1-NH2 3.22Å; N571-R690 VanDerWaalsContact OD1-NH2 3.14Å
572L93.6Very high93.8Very high109 Ų10952.8 Ų52.857%0.57133%0.331SS*.THydrogen-bonded Turntrans-64.8139.4170.3-61.1173.7000110.1A688 R690L572-A688 WeakPolarHBondContact CD2-O 3.45Å; L572-R690 HydrophobicContact CD2-CB 4.18Å
573G90.3Very high93.1Very high75 Ų7554.1 Ų54.177%0.77335%0.345SS*.THydrogen-bonded Turntrans902.5173.700000116
574E90.2Very high92.6Very high60 Ų6055.4 Ų55.428%0.2835%0.349SS..SBendtrans-70.4-31.9175.3-73.4-178.6-144.500113.2H255 Y285 N571H255-E574 IonicContact CE1-OE2 3.99Å; H255-E574 PolarHBondContact CE1-OE2 2.71Å; H255-E574 VanDerWaalsContact CE1-OE2 3.27Å; H255-E574 IonicContact ND1-OE2 2.99Å; Y285-E574 WeakPolarHBondContact CE1-OE1 3.44Å; N571-E574 WeakPolarHBondContact CB-OE1 3.47Å; N571-E574 PolarHBondContact N-OE1 2.93Å
575V92.4Very high92.2Very high43 Ų4349.4 Ų49.426%0.26133%0.33SS..SBendtrans-104.2126177.4-176.10000110.1F692 P694V575-F692 HydrophobicContact CB-CD1 4.09Å; V575-F692 HydrophobicContact CB-CE1 4.37Å; V575-F692 WeakPolarHBondContact CB-O 3.36Å; V575-F692 HydrophobicContact CG1-CD1 4.34Å; V575-F692 HydrophobicContact CG1-CE1 4.21Å; V575-F692 WeakPolarHBondContact CG2-O 3.14Å; V575-P694 HydrophobicContact CG1-CG 4.48Å
576P89.5Confident91.9Very high102 Ų10248.8 Ų48.866%0.66232%0.324SS*.  trans-57.9138.5176.9-2634.7000112.4H578P576-H578 PolarHBondContact O-N 2.91Å
577P91.7Very high91.6Very high107 Ų10753.3 Ų53.370%0.69534%0.343SS*.  trans-61.7121.6175.8-19.831.1000111.1T687P577-T687 HydrophobicContact CB-CG2 3.88Å; P577-T687 HydrophobicContact CG-CG2 3.87Å
578H89.8Confident91.3Very high122 Ų12253.8 Ų53.857%0.56535%0.347SS*.  trans-135137.4168.3-172.2-75000108.7P576 P694P576-H578 PolarHBondContact O-N 2.91Å; H578-P694 HydrophobicContact CB-CB 3.95Å; H578-P694 HydrophobicContact CB-CG 3.53Å
579A89.4Confident91.2Very high86 Ų8659.8 Ų59.871%0.71137%0.37SS*.PPolyproline II helixtrans-70.4135.8-18000000110.7
580S89Confident91.1Very high39 Ų3961.6 Ų61.627%0.27338%0.382SS..PPolyproline II helixtrans-98.2147168-68.50000110.1P694 A697 S698S580-P694 PolarHBondContact OG-O 3.18Å; S580-A697 WeakPolarHBondContact OG-CB 3.47Å; S580-S698 WeakPolarHBondContact CB-OG 3.11Å; S580-S698 PolarHBondContact OG-N 3.45Å; S580-S698 PolarHBondContact OG-OG 2.87Å
581P89.2Confident91Very high51 Ų5161.9 Ų61.933%0.33139%0.385SS..PPolyproline II helixtrans-65.2150.9176.126.9-31.4000111T701 M702P581-T701 VanDerWaalsContact O-CB 3.26Å; P581-T701 WeakPolarHBondContact O-CB 3.35Å; P581-T701 VanDerWaalsContact O-CG2 3.3Å; P581-T701 WeakPolarHBondContact O-CG2 3.16Å; P581-T701 PolarHBondContact O-OG1 3.16Å; P581-T701 VanDerWaalsContact O-OG1 3.11Å; P581-M702 HydrophobicContact CG-CG 3.78Å
582G87Confident91Very high51 Ų5161.6 Ų61.653%0.52638%0.384SS..  trans-77.9-163.4171.700000112.6H705G582-H705 PolarHBondContact O-NE2 3.46Å
583G84Confident91.2Very high28 Ų2856.7 Ų56.729%0.28936%0.358SS..  trans-64.7150.517100000112.6Y605G583-Y605 VanDerWaalsContact CA-OH 3.28Å; G583-Y605 WeakPolarHBondContact CA-OH 2.95Å
584Y87.2Confident91.4Very high45 Ų4555.8 Ų55.818%0.17634%0.335CS..  trans-74.3126.9173.6177.8-125.5000109.5M586 H705 M708 R709 T727Y584-M586 HydrophobicContact CD1-CG 4.04Å; Y584-M586 HydrophobicContact CE1-CB 4.49Å; Y584-M586 HydrophobicContact CE1-CG 3.38Å; Y584-M586 HydrophobicContact CE1-SD 4.43Å; Y584-H705 WeakPolarHBondContact CB-CD2 3.21Å; Y584-H705 PolarHBondContact N-CD2 3.39Å; Y584-H705 PolarHBondContact N-NE2 3.11Å; Y584-M708 HydrophobicContact CD1-CB 3.79Å; Y584-R709 HydrophobicContact CE1-CG 4Å; Y584-R709 PolarHBondContact OH-NH1 3.35Å; Y584-T727 WeakPolarHBondContact O-CA 3.29Å; Y584-T727 PolarHBondContact O-N 3.34Å
585V89.4Confident91.7Very high30 Ų3053 Ų5318%0.18232%0.322CS..BIsolated β-bridgetrans-117.3114.8173.4-172.30000107.8Y724 K795V585-Y724 HydrophobicContact CG1-CE2 3.92Å; V585-K795 HydrophobicContact CB-CD 4.33Å; V585-K795 HydrophobicContact CG1-CB 3.96Å; V585-K795 HydrophobicContact CG1-CD 3.79Å; V585-K795 HydrophobicContact CG1-CG 3.83Å
586M89.7Confident92Very high5 Ų551 Ų513%0.02531%0.31CS..PPolyproline II helixtrans-64.4145.3179.2-67176.553.500110.1Y584 S588 K712 V722 G725 K795Y584-M586 HydrophobicContact CD1-CG 4.04Å; Y584-M586 HydrophobicContact CE1-CB 4.49Å; Y584-M586 HydrophobicContact CE1-CG 3.38Å; Y584-M586 HydrophobicContact CE1-SD 4.43Å; M586-S588 PolarHBondContact O-N 2.86Å; M586-K712 HydrophobicContact CE-CD 3.62Å; M586-K712 HydrophobicContact CE-CG 4.2Å; M586-V722 HydrophobicContact CE-CB 4.47Å; M586-V722 HydrophobicContact CE-CG1 3.57Å; M586-V722 HydrophobicContact SD-CG1 4.22Å; M586-G725 PolarHBondContact N-O 3.33Å; M586-K795 WeakPolarHBondContact O-CE 3.45Å
587D91.1Very high92.4Very high114 Ų11446.1 Ų46.161%0.6128%0.278SS*.PPolyproline II helixtrans-62.1134160.9-63.3-49.6000108.1K795D587-K795 WeakPolarHBondContact OD1-CE 3.33Å; D587-K795 IonicContact OD1-NZ 3.83Å; D587-K795 PolarHBondContact OD1-NZ 2.75Å
588S93.8Very high92.7Very high13 Ų1341.3 Ų41.39%0.09125%0.247CC..PPolyproline II helixtrans-92.7149.9-175.767.20000111.1M586 P590 I723 M784 G793 S794M586-S588 PolarHBondContact O-N 2.86Å; S588-P590 VanDerWaalsContact O-CD 3.31Å; S588-P590 WeakPolarHBondContact O-CD 3.42Å; S588-I723 CarbonylContact C-O 3.58Å; S588-I723 VanDerWaalsContact CA-O 3.24Å; S588-I723 WeakPolarHBondContact CA-O 3.49Å; S588-M784 VanDerWaalsContact CB-SD 3.51Å; S588-M784 PolarHBondContact OG-SD 2.86Å; S588-G793 WeakPolarHBondContact OG-CA 3.45Å; S588-S794 WeakPolarHBondContact CB-O 3.42Å; S588-S794 PolarHBondContact OG-N 3.26Å; S588-S794 PolarHBondContact OG-O 3.49Å
589R96Very high93Very high126 Ų12635.5 Ų35.548%0.47522%0.22SC..  trans-88.7105.5167.6-169.6-178.2179.1-96.66108Y593 I723 M784R589-Y593 WeakPolarHBondContact CB-OH 3.2Å; R589-Y593 VanDerWaalsContact CG-OH 3.28Å; R589-Y593 WeakPolarHBondContact CG-OH 3.4Å; R589-Y593 VanDerWaalsContact NH1-CE1 3.32Å; R589-Y593 PolarHBondContact NH1-OH 2.8Å; R589-Y593 VanDerWaalsContact NH1-OH 3.08Å; R589-Y593 PolarHBondContact O-OH 3Å; R589-I723 HydrophobicContact CB-CB 4.1Å; R589-I723 HydrophobicContact CB-CG2 4.23Å; R589-I723 PolarHBondContact N-O 2.94Å; R589-M784 WeakPolarHBondContact O-CG 3.29Å
590P95.7Very high93.3Very high38 Ų3833.1 Ų33.125%0.24720%0.195CC..  trans-66.1151.4-179.729.5-34.7000110.8S588 Y593 M784 T786 F948S588-P590 VanDerWaalsContact O-CD 3.31Å; S588-P590 WeakPolarHBondContact O-CD 3.42Å; P590-Y593 PolarHBondContact O-OH 3.41Å; P590-M784 CarbonylContact C-O 3.53Å; P590-M784 WeakPolarHBondContact CA-O 3.35Å; P590-T786 HydrophobicContact CB-CG2 3.64Å; P590-T786 HydrophobicContact CG-CG2 3.98Å; P590-F948 HydrophobicContact CB-CE1 3.97Å; P590-F948 HydrophobicContact CB-CZ 4.03Å
591G96.1Very high93.5Very high11 Ų1131.2 Ų31.211%0.11318%0.182CC..EExtended strand (participates in β ladder)trans157.3166.3-179.300000113.6Y593 M784G591-Y593 VanDerWaalsContact C-CE2 3.46Å; G591-Y593 VanDerWaalsContact O-CD2 3.29Å; G591-Y593 WeakPolarHBondContact O-CD2 3.45Å; G591-Y593 VanDerWaalsContact O-CE2 3.31Å; G591-Y593 WeakPolarHBondContact O-CE2 3.46Å; G591-M784 PolarHBondContact N-O 3.2Å; G591-M784 PolarHBondContact O-N 3.42Å
592L96.4Very high93.4Very high38 Ų3829.8 Ų29.820%0.19917%0.171CC..EExtended strand (participates in β ladder)trans-101.9120.6165.9-179.261.2000108.3L783 I837 F838 F948 I949L592-L783 HydrophobicContact CB-CD1 4.37Å; L592-L783 HydrophobicContact CD1-CB 4.49Å; L592-L783 HydrophobicContact CD1-CD1 4.31Å; L592-I837 HydrophobicContact CD2-CG2 3.8Å; L592-F838 HydrophobicContact CD1-CD1 3.92Å; L592-F838 HydrophobicContact CD1-CE1 3.68Å; L592-F948 HydrophobicContact CB-CB 3.93Å; L592-I949 HydrophobicContact CD2-CG2 3.52Å
593Y96.6Very high93.4Very high7 Ų728 Ų283%0.02715%0.151CC..EExtended strand (participates in β ladder)trans-119.4154.9-171.2-59.7-93.7000110.6R589 P590 G591 V596 I723 W733 R781 F782 M784R589-Y593 WeakPolarHBondContact CB-OH 3.2Å; R589-Y593 VanDerWaalsContact CG-OH 3.28Å; R589-Y593 WeakPolarHBondContact CG-OH 3.4Å; R589-Y593 VanDerWaalsContact NH1-CE1 3.32Å; R589-Y593 PolarHBondContact NH1-OH 2.8Å; R589-Y593 VanDerWaalsContact NH1-OH 3.08Å; R589-Y593 PolarHBondContact O-OH 3Å; P590-Y593 PolarHBondContact O-OH 3.41Å; G591-Y593 VanDerWaalsContact C-CE2 3.46Å; G591-Y593 VanDerWaalsContact O-CD2 3.29Å; G591-Y593 WeakPolarHBondContact O-CD2 3.45Å; G591-Y593 VanDerWaalsContact O-CE2 3.31Å; G591-Y593 WeakPolarHBondContact O-CE2 3.46Å; Y593-V596 HydrophobicContact CG-CG2 4.21Å; Y593-I723 HydrophobicContact CD1-CD1 4.3Å; Y593-I723 HydrophobicContact CD2-CD1 4.04Å; Y593-I723 HydrophobicContact CE1-CD1 4.17Å; Y593-I723 HydrophobicContact CE1-CG2 4Å; Y593-I723 HydrophobicContact CE2-CD1 3.9Å; Y593-I723 HydrophobicContact CG-CD1 4.24Å; Y593-W733 AromaticContact CD1-CD1 3.81Å; Y593-W733 AromaticContact CD1-CD2 3.84Å; Y593-W733 HydrophobicContact CD1-CD2 3.84Å; Y593-W733 AromaticContact CD1-CE2 3.83Å; Y593-W733 AromaticContact CD1-CG 3.84Å; Y593-W733 HydrophobicContact CD1-CG 3.84Å; Y593-W733 HydrophobicContact CD1-CZ2 4.46Å; Y593-W733 AromaticContact CD1-NE1 3.81Å; Y593-W733 AromaticContact CE1-CD2 3.87Å; Y593-W733 HydrophobicContact CE1-CD2 3.87Å; Y593-W733 HydrophobicContact CE1-CE3 4.09Å; Y593-W733 HydrophobicContact CE1-CG 4.16Å; Y593-R781 WeakPolarHBondContact O-CA 3.4Å; Y593-R781 PolarHBondContact O-NH1 2.99Å; Y593-F782 HydrophobicContact CD2-CD1 4.2Å; Y593-F782 PolarHBondContact N-O 3.32Å; Y593-F782 PolarHBondContact O-N 2.97Å; Y593-M784 HydrophobicContact CE2-CB 4.17Å
594D95.4Very high93.8Very high56 Ų5626.8 Ų26.830%0.29914%0.137SC..SBendtrans-79.5-114.2163-64.1-41.3000109.7V596 C780 R781D594-V596 PolarHBondContact O-N 3.43Å; D594-C780 CarbonylContact C-O 3.49Å; D594-C780 WeakPolarHBondContact CA-O 3.46Å; D594-C780 CarbonylContact O-C 3.54Å; D594-R781 WeakPolarHBondContact O-CA 3.47Å; D594-R781 WeakPolarHBondContact OD1-CD 3.24Å; D594-R781 IonicContact OD1-CZ 2.72Å; D594-R781 IonicContact OD1-NE 3.34Å; D594-R781 IonicContact OD1-NH1 3.43Å; D594-R781 PolarHBondContact OD1-NH1 3.25Å
595S97.1Very high94.1Very high2 Ų225.7 Ų25.71%0.01413%0.133CC..  trans-68.6114.4-174.8-68.60000112.9L734 H738 H778 F779S595-L734 PolarHBondContact O-N 2.84Å; S595-H738 PolarHBondContact OG-N 3.32Å; S595-H738 VanDerWaalsContact OG-N 3.1Å; S595-H778 WeakPolarHBondContact CB-NE2 3.35Å; S595-H778 PolarHBondContact OG-NE2 3.44Å; S595-F779 CarbonylContact C-O 3.48Å; S595-F779 WeakPolarHBondContact CA-O 2.96Å
596V98.1Very high94.3Very high0 Ų024.4 Ų24.40%013%0.125CC..EExtended strand (participates in β ladder)trans-125.9121.3171.7177.90000109.7Y593 D594 I723 F731 V732 F779 F782Y593-V596 HydrophobicContact CG-CG2 4.21Å; D594-V596 PolarHBondContact O-N 3.43Å; V596-I723 HydrophobicContact CG1-CD1 4.03Å; V596-I723 HydrophobicContact CG2-CD1 3.87Å; V596-F731 HydrophobicContact CG1-CB 4.08Å; V596-F731 HydrophobicContact CG1-CD1 3.95Å; V596-V732 CarbonylContact C-O 3.59Å; V596-V732 WeakPolarHBondContact CA-O 3.23Å; V596-F779 HydrophobicContact CB-CB 4.45Å; V596-F779 PolarHBondContact N-O 3.49Å; V596-F779 PolarHBondContact O-N 3.25Å; V596-F782 HydrophobicContact CB-CB 3.87Å; V596-F782 HydrophobicContact CB-CD1 4.29Å; V596-F782 HydrophobicContact CB-CG 4.04Å; V596-F782 HydrophobicContact CG1-CD1 4.2Å; V596-F782 HydrophobicContact CG1-CG 4.25Å; V596-F782 HydrophobicContact CG2-CB 3.63Å; V596-F782 HydrophobicContact CG2-CD1 3.94Å; V596-F782 HydrophobicContact CG2-CG 3.98Å
597L98Very high94.5Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-87144.3173.2-51.5-177.8000110.4L599 F731 V732 L734 A743 I746 Y775 T777 H778L597-L599 HydrophobicContact CB-CD2 4.43Å; L597-F731 CarbonylContact O-C 3.51Å; L597-F731 VanDerWaalsContact O-CA 3.31Å; L597-F731 WeakPolarHBondContact O-CA 3.33Å; L597-V732 HydrophobicContact CB-CB 4.25Å; L597-V732 PolarHBondContact N-O 3.11Å; L597-V732 PolarHBondContact O-N 3.1Å; L597-L734 HydrophobicContact CD1-CD1 3.93Å; L597-L734 HydrophobicContact CD1-CD2 4.04Å; L597-L734 HydrophobicContact CD1-CG 4.24Å; L597-L734 HydrophobicContact CD2-CD1 3.91Å; L597-L734 HydrophobicContact CG-CD1 3.79Å; L597-L734 HydrophobicContact CG-CD2 4.26Å; L597-L734 HydrophobicContact CG-CG 3.99Å; L597-A743 HydrophobicContact CD2-CB 3.97Å; L597-I746 HydrophobicContact CD1-CB 4.48Å; L597-I746 HydrophobicContact CD1-CG2 4.12Å; L597-Y775 HydrophobicContact CD2-CE2 4.11Å; L597-T777 CarbonylContact C-O 3.17Å; L597-T777 WeakPolarHBondContact CA-O 3.42Å; L597-H778 HydrophobicContact CD2-CB 3.87Å
598V97.3Very high94.8Very high5 Ų518.7 Ų18.73%0.0310%0.095CC..EExtended strand (participates in β ladder)trans-109.5117.4166.7-172.40000108.2F731 E776 T777 F779V598-F731 HydrophobicContact CG1-CE2 4.25Å; V598-F731 HydrophobicContact CG1-CZ 4.1Å; V598-F731 HydrophobicContact CG2-CD1 3.85Å; V598-F731 HydrophobicContact CG2-CE1 3.49Å; V598-F731 VanDerWaalsContact CG2-CE1 3.49Å; V598-F731 HydrophobicContact CG2-CZ 3.9Å; V598-E776 PolarHBondContact O-N 3.38Å; V598-T777 PolarHBondContact N-O 2.95Å; V598-T777 PolarHBondContact O-N 3.41Å; V598-F779 HydrophobicContact CG2-CD2 3.83Å; V598-F779 HydrophobicContact CG2-CE2 3.62Å
599L97.6Very high94.9Very high0 Ų018.1 Ų18.10%09%0.09CC..EExtended strand (participates in β ladder)trans-108122.5171.8-48-177.4000107.6L597 I715 S729 T730 V732 L750 V751 L773 E774 Y775L597-L599 HydrophobicContact CB-CD2 4.43Å; L599-I715 HydrophobicContact CD1-CD1 3.94Å; L599-S729 CarbonylContact O-C 3.56Å; L599-S729 WeakPolarHBondContact O-CA 3.18Å; L599-T730 PolarHBondContact N-O 2.88Å; L599-T730 PolarHBondContact O-N 2.76Å; L599-V732 HydrophobicContact CD1-CG2 3.92Å; L599-V732 HydrophobicContact CG-CG2 4.19Å; L599-L750 HydrophobicContact CD1-CB 4.03Å; L599-L750 HydrophobicContact CD1-CD1 4.24Å; L599-V751 HydrophobicContact CB-CG1 4.49Å; L599-V751 HydrophobicContact CD1-CG1 4.28Å; L599-V751 HydrophobicContact CD2-CG1 3.92Å; L599-V751 HydrophobicContact CG-CG1 4.46Å; L599-L773 HydrophobicContact CB-CD1 3.96Å; L599-L773 HydrophobicContact CB-CD2 4Å; L599-L773 HydrophobicContact CB-CG 4.03Å; L599-L773 HydrophobicContact CD1-CD2 4.12Å; L599-E774 CarbonylContact C-O 3.56Å; L599-E774 WeakPolarHBondContact CA-O 3.36Å; L599-Y775 HydrophobicContact CD2-CD2 4.04Å
600D94.2Very high94.9Very high36 Ų3614.7 Ų14.719%0.1938%0.078CC..EExtended strand (participates in β ladder)trans-127.6134.2-172.3-168.9-67.9000110.3K602 S729 E774 E776D600-K602 PolarHBondContact O-N 3.47Å; D600-S729 WeakPolarHBondContact OD2-CB 3.41Å; D600-E774 PolarHBondContact N-O 3.22Å; D600-E774 PolarHBondContact O-N 2.81Å; D600-E776 HydrophobicContact CB-CB 4.32Å
601Y93.8Very high95Very high0 Ų013 Ų130%07%0.066CC..EExtended strand (participates in β ladder)trans-74.4124.3177.9-86-77.3000111.6S603 L604 I707 T711 D728 V754 W758 L771 E772 L773Y601-S603 PolarHBondContact O-N 3.11Å; Y601-L604 HydrophobicContact CD1-CD1 4.21Å; Y601-L604 HydrophobicContact CD2-CD1 4.12Å; Y601-L604 HydrophobicContact CG-CD1 3.84Å; Y601-I707 HydrophobicContact CD2-CG2 4.21Å; Y601-I707 HydrophobicContact CE1-CG2 4.35Å; Y601-I707 HydrophobicContact CE2-CG2 3.46Å; Y601-I707 VanDerWaalsContact CE2-CG2 3.46Å; Y601-T711 HydrophobicContact CE2-CG2 4.4Å; Y601-T711 PolarHBondContact OH-OG1 3.07Å; Y601-D728 WeakPolarHBondContact CD2-O 3.3Å; Y601-D728 PolarHBondContact N-O 3.44Å; Y601-V754 WeakPolarHBondContact OH-CG1 3.45Å; Y601-W758 PolarHBondContact OH-NE1 3.02Å; Y601-L771 HydrophobicContact CE1-CB 4.21Å; Y601-E772 WeakPolarHBondContact CA-O 3.41Å; Y601-E772 WeakPolarHBondContact CD1-O 3.48Å; Y601-L773 HydrophobicContact CD1-CB 4.08Å; Y601-L773 HydrophobicContact CD1-CD1 4.25Å; Y601-L773 HydrophobicContact CD2-CD1 3.68Å; Y601-L773 HydrophobicContact CE1-CB 3.79Å; Y601-L773 HydrophobicContact CE1-CD1 4.3Å; Y601-L773 HydrophobicContact CE2-CD1 3.74Å; Y601-L773 HydrophobicContact CG-CD1 3.94Å
602K87.4Confident95.1Very high20 Ų2012.6 Ų12.69%0.0876%0.061CC..THydrogen-bonded Turntrans-57.4106.5172.7-167.3174.5168.8-173.30109.4D600 L604 W655 D659 E772 E774D600-K602 PolarHBondContact O-N 3.47Å; K602-L604 PolarHBondContact O-N 2.84Å; K602-W655 HydrophobicContact CB-CH2 4.06Å; K602-W655 HydrophobicContact CB-CZ2 4.31Å; K602-W655 HydrophobicContact CD-CH2 4.09Å; K602-W655 HydrophobicContact CD-CZ2 3.51Å; K602-W655 VanDerWaalsContact CE-CZ2 3.43Å; K602-W655 HydrophobicContact CG-CH2 3.71Å; K602-W655 HydrophobicContact CG-CZ2 3.66Å; K602-W655 WeakPolarHBondContact O-CH2 3.42Å; K602-D659 IonicContact NZ-OD1 2.57Å; K602-D659 PolarHBondContact NZ-OD1 2.8Å; K602-D659 IonicContact NZ-OD2 3.96Å; K602-D659 PolarHBondContact NZ-OD2 3.26Å; K602-E772 HydrophobicContact CB-CB 4.35Å; K602-E772 WeakPolarHBondContact CD-OE2 3.31Å; K602-E772 PolarHBondContact N-O 3.38Å; K602-E772 IonicContact NZ-OE2 3.4Å; K602-E774 HydrophobicContact CB-CG 4.03Å; K602-E774 WeakPolarHBondContact CB-OE2 3.43Å; K602-E774 WeakPolarHBondContact CG-OE2 3.33Å
603S86Confident95.2Very high15 Ų1511.8 Ų11.811%0.1056%0.057CC..THydrogen-bonded Turntrans46.958.5175.1-78.60000112.7Y601 Y605 P606 S607 R658Y601-S603 PolarHBondContact O-N 3.11Å; S603-Y605 PolarHBondContact O-N 2.93Å; S603-P606 WeakPolarHBondContact O-CB 3.36Å; S603-P606 WeakPolarHBondContact O-CD 3.4Å; S603-S607 PolarHBondContact O-N 3.36Å; S603-R658 PolarHBondContact OG-NH1 2.82Å
604L92.7Very high95.3Very high2 Ų211.6 Ų11.61%0.016%0.057CC..Hα-helixtrans-49.5-50.6-171.7179.761000114.9Y601 K602 S607 I608 I707 D728Y601-L604 HydrophobicContact CD1-CD1 4.21Å; Y601-L604 HydrophobicContact CD2-CD1 4.12Å; Y601-L604 HydrophobicContact CG-CD1 3.84Å; K602-L604 PolarHBondContact O-N 2.84Å; L604-S607 WeakPolarHBondContact CA-OG 3.44Å; L604-S607 PolarHBondContact O-N 3.33Å; L604-S607 PolarHBondContact O-OG 2.85Å; L604-I608 HydrophobicContact CD1-CD1 3.95Å; L604-I608 HydrophobicContact CD1-CG1 4.18Å; L604-I608 HydrophobicContact CG-CD1 3.9Å; L604-I608 WeakPolarHBondContact O-CG1 3.21Å; L604-I608 PolarHBondContact O-N 3.38Å; L604-I707 HydrophobicContact CD1-CD1 4.09Å; L604-I707 HydrophobicContact CD1-CG2 4.17Å; L604-D728 HydrophobicContact CB-CB 3.72Å; L604-D728 HydrophobicContact CD2-CB 3.62Å; L604-D728 HydrophobicContact CG-CB 4.29Å
605Y93.8Very high95.4Very high22 Ų228.9 Ų8.99%0.0864%0.042CC..Hα-helixtrans-67.1-43.9-177.4-69.3-3.9000112.6G583 S603 S607 I608 I609 Y681 I700 T701 T727G583-Y605 VanDerWaalsContact CA-OH 3.28Å; G583-Y605 WeakPolarHBondContact CA-OH 2.95Å; S603-Y605 PolarHBondContact O-N 2.93Å; Y605-S607 VanDerWaalsContact C-N 3.32Å; Y605-S607 PolarHBondContact O-N 3.4Å; Y605-I608 HydrophobicContact CD1-CD1 4.17Å; Y605-I608 PolarHBondContact O-N 3.24Å; Y605-I609 WeakPolarHBondContact O-CG1 3.07Å; Y605-I609 PolarHBondContact O-N 2.96Å; Y605-Y681 AromaticContact CD2-CD1 3.55Å; Y605-Y681 HydrophobicContact CD2-CD1 3.55Å; Y605-Y681 AromaticContact CD2-CD2 3.92Å; Y605-Y681 HydrophobicContact CD2-CD2 3.92Å; Y605-Y681 AromaticContact CD2-CE1 3.8Å; Y605-Y681 HydrophobicContact CD2-CE1 3.8Å; Y605-Y681 HydrophobicContact CD2-CE2 4.16Å; Y605-Y681 AromaticContact CD2-CG 3.62Å; Y605-Y681 HydrophobicContact CD2-CG 3.62Å; Y605-Y681 HydrophobicContact CE2-CD1 4.24Å; Y605-Y681 HydrophobicContact CE2-CD2 4.17Å; Y605-Y681 HydrophobicContact CE2-CE1 4.06Å; Y605-Y681 HydrophobicContact CE2-CE2 4.01Å; Y605-Y681 HydrophobicContact CE2-CG 4.3Å; Y605-Y681 AromaticContact CE2-CZ 3.94Å; Y605-I700 HydrophobicContact CD1-CG2 3.8Å; Y605-I700 HydrophobicContact CD2-CG2 4.12Å; Y605-I700 HydrophobicContact CE1-CG2 4.42Å; Y605-I700 HydrophobicContact CG-CG2 3.62Å; Y605-T701 HydrophobicContact CE2-CG2 4.29Å; Y605-T727 HydrophobicContact CE1-CG2 4.3Å
606P92.8Very high95.5Very high2 Ų29 Ų91%0.0134%0.043CC..Hα-helixtrans-53.4-42165.8-3135.4000114.6S603 I609 R610 V651 W655 M677S603-P606 WeakPolarHBondContact O-CB 3.36Å; S603-P606 WeakPolarHBondContact O-CD 3.4Å; P606-I609 PolarHBondContact O-N 3.07Å; P606-R610 WeakPolarHBondContact O-CG 3.31Å; P606-R610 PolarHBondContact O-N 2.81Å; P606-R610 VanDerWaalsContact O-N 3.13Å; P606-V651 HydrophobicContact CB-CG1 3.68Å; P606-W655 HydrophobicContact CB-CE3 4.33Å; P606-W655 HydrophobicContact CB-CZ3 4.26Å; P606-M677 HydrophobicContact CB-CB 4.38Å; P606-M677 HydrophobicContact CB-SD 4.37Å; P606-M677 HydrophobicContact CG-CB 3.75Å
607S94.5Very high95.5Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-68.1-38.117868.10000112.1S603 L604 Y605 I609 R610 T611 A770 L771S603-S607 PolarHBondContact O-N 3.36Å; L604-S607 WeakPolarHBondContact CA-OG 3.44Å; L604-S607 PolarHBondContact O-N 3.33Å; L604-S607 PolarHBondContact O-OG 2.85Å; Y605-S607 VanDerWaalsContact C-N 3.32Å; Y605-S607 PolarHBondContact O-N 3.4Å; S607-I609 PolarHBondContact O-N 3.19Å; S607-R610 PolarHBondContact O-N 3.13Å; S607-T611 WeakPolarHBondContact O-CB 3.5Å; S607-T611 PolarHBondContact O-N 3.21Å; S607-T611 PolarHBondContact O-OG1 3Å; S607-A770 WeakPolarHBondContact CB-O 3.39Å; S607-L771 WeakPolarHBondContact OG-CD2 3.44Å
608I97.1Very high95.5Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-60.2-44.5172.6-71.6168.6000111.5L604 Y605 R610 T611 F612 I614 I700 R703 I707 L771L604-I608 HydrophobicContact CD1-CD1 3.95Å; L604-I608 HydrophobicContact CD1-CG1 4.18Å; L604-I608 HydrophobicContact CG-CD1 3.9Å; L604-I608 WeakPolarHBondContact O-CG1 3.21Å; L604-I608 PolarHBondContact O-N 3.38Å; Y605-I608 HydrophobicContact CD1-CD1 4.17Å; Y605-I608 PolarHBondContact O-N 3.24Å; I608-R610 VanDerWaalsContact C-N 3.29Å; I608-R610 PolarHBondContact O-N 2.75Å; I608-T611 PolarHBondContact O-N 3.4Å; I608-F612 HydrophobicContact CB-CD2 4.36Å; I608-F612 HydrophobicContact CG2-CD2 3.96Å; I608-F612 WeakPolarHBondContact O-CB 3.43Å; I608-F612 WeakPolarHBondContact O-CD2 3.12Å; I608-F612 PolarHBondContact O-N 3.03Å; I608-I614 HydrophobicContact CG2-CG1 4.48Å; I608-I700 HydrophobicContact CG2-CB 4.42Å; I608-I700 HydrophobicContact CG2-CG1 4.47Å; I608-I700 HydrophobicContact CG2-CG2 4.27Å; I608-R703 HydrophobicContact CD1-CB 4.37Å; I608-R703 HydrophobicContact CD1-CG 4.43Å; I608-R703 HydrophobicContact CG1-CG 4.36Å; I608-R703 HydrophobicContact CG2-CB 4.07Å; I608-R703 HydrophobicContact CG2-CG 4.11Å; I608-I707 HydrophobicContact CD1-CD1 3.72Å; I608-I707 HydrophobicContact CG1-CD1 3.61Å; I608-L771 HydrophobicContact CG1-CD2 4.18Å
609I97Very high95.6Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-56.5-45.6175.1-71.5166000110.7Y605 P606 S607 L613 I614 L647 P648 V651 I700Y605-I609 WeakPolarHBondContact O-CG1 3.07Å; Y605-I609 PolarHBondContact O-N 2.96Å; P606-I609 PolarHBondContact O-N 3.07Å; S607-I609 PolarHBondContact O-N 3.19Å; I609-L613 WeakPolarHBondContact O-CA 3.49Å; I609-L613 PolarHBondContact O-N 3.47Å; I609-I614 HydrophobicContact CG1-CB 4.27Å; I609-I614 PolarHBondContact O-N 2.94Å; I609-L647 HydrophobicContact CD1-CD2 4.23Å; I609-L647 HydrophobicContact CG2-CB 4.47Å; I609-L647 HydrophobicContact CG2-CD2 4.03Å; I609-L647 HydrophobicContact CG2-CG 3.86Å; I609-P648 HydrophobicContact CG2-CG 4.44Å; I609-V651 HydrophobicContact CG2-CB 4.5Å; I609-V651 HydrophobicContact CG2-CG2 4.03Å; I609-I700 HydrophobicContact CD1-CD1 3.96Å; I609-I700 HydrophobicContact CG1-CD1 3.77Å; I609-I700 HydrophobicContact CG1-CG1 4.12Å
610R96.4Very high95.6Very high55 Ų559.9 Ų9.921%0.2085%0.048CC..Hα-helixtrans-68.4-44.5179.8-67.4173.269.4-154.10112.8P606 S607 I608 L613 V651 T652 A770P606-R610 WeakPolarHBondContact O-CG 3.31Å; P606-R610 PolarHBondContact O-N 2.81Å; P606-R610 VanDerWaalsContact O-N 3.13Å; S607-R610 PolarHBondContact O-N 3.13Å; I608-R610 VanDerWaalsContact C-N 3.29Å; I608-R610 PolarHBondContact O-N 2.75Å; R610-L613 WeakPolarHBondContact O-CD2 3.2Å; R610-V651 HydrophobicContact CG-CB 4.28Å; R610-V651 HydrophobicContact CG-CG1 3.93Å; R610-T652 PolarHBondContact NE-OG1 2.86Å; R610-A770 HydrophobicContact CB-CB 3.98Å
611T97.6Very high95.8Very high1 Ų19.2 Ų9.21%0.0064%0.044CC..Hα-helixtrans-72.9-41.9-175.5-630000112.6S607 I608 L762 A770S607-T611 WeakPolarHBondContact O-CB 3.5Å; S607-T611 PolarHBondContact O-N 3.21Å; S607-T611 PolarHBondContact O-OG1 3Å; I608-T611 PolarHBondContact O-N 3.4Å; T611-L762 HydrophobicContact CG2-CD1 3.46Å; T611-L762 VanDerWaalsContact CG2-CD1 3.46Å; T611-L762 HydrophobicContact CG2-CD2 4.21Å; T611-L762 HydrophobicContact CG2-CG 4.39Å; T611-A770 WeakPolarHBondContact OG1-CB 3.41Å; T611-A770 PolarHBondContact OG1-N 3.07Å
612F98.1Very high96Very high3 Ų39.2 Ų9.21%0.0134%0.044CC..THydrogen-bonded Turntrans-107.413.1-173.4-58.2-82.3000112.9I608 I614 T632 R703 I707 L762 L767 L771I608-F612 HydrophobicContact CB-CD2 4.36Å; I608-F612 HydrophobicContact CG2-CD2 3.96Å; I608-F612 WeakPolarHBondContact O-CB 3.43Å; I608-F612 WeakPolarHBondContact O-CD2 3.12Å; I608-F612 PolarHBondContact O-N 3.03Å; F612-I614 VanDerWaalsContact C-N 3.26Å; F612-I614 HydrophobicContact CB-CD1 4.07Å; F612-I614 HydrophobicContact CB-CG1 4.38Å; F612-I614 PolarHBondContact O-N 2.74Å; F612-T632 WeakPolarHBondContact O-CG2 2.99Å; F612-R703 HydrophobicContact CD2-CG 3.75Å; F612-R703 HydrophobicContact CE1-CG 4.41Å; F612-R703 HydrophobicContact CE2-CG 3.5Å; F612-R703 HydrophobicContact CG-CG 4.3Å; F612-R703 HydrophobicContact CZ-CG 3.87Å; F612-I707 HydrophobicContact CE2-CD1 4.38Å; F612-L762 HydrophobicContact CE1-CD2 3.52Å; F612-L762 HydrophobicContact CZ-CD1 4.38Å; F612-L762 HydrophobicContact CZ-CD2 3.63Å; F612-L767 HydrophobicContact CD1-CD1 3.87Å; F612-L767 HydrophobicContact CE1-CD1 4.18Å; F612-L771 HydrophobicContact CE2-CD1 4.4Å
613L98Very high96.4Very high22 Ų2211.7 Ų11.712%0.1156%0.057CC..THydrogen-bonded Turntrans57.534.1169.3-47.9179.7000114.2I609 R610 D615 T632 F640 R642 P648 L767I609-L613 WeakPolarHBondContact O-CA 3.49Å; I609-L613 PolarHBondContact O-N 3.47Å; R610-L613 WeakPolarHBondContact O-CD2 3.2Å; L613-D615 PolarHBondContact O-N 3.17Å; L613-D615 VanDerWaalsContact O-N 3.16Å; L613-T632 HydrophobicContact CB-CG2 4.34Å; L613-T632 HydrophobicContact CD1-CG2 4.34Å; L613-T632 HydrophobicContact CG-CG2 4.47Å; L613-F640 HydrophobicContact CB-CB 4.48Å; L613-R642 HydrophobicContact CD1-CB 4.43Å; L613-R642 HydrophobicContact CD1-CG 4.42Å; L613-P648 HydrophobicContact CD2-CG 4.41Å; L613-L767 HydrophobicContact CD1-CD2 4.32Å
614I98.2Very high97Very high2 Ų212.5 Ų12.51%0.017%0.065CC..  trans-67.8115.9-176.7-47.9-59.1000109.6I608 I609 F612 F640 L696 I700I608-I614 HydrophobicContact CG2-CG1 4.48Å; I609-I614 HydrophobicContact CG1-CB 4.27Å; I609-I614 PolarHBondContact O-N 2.94Å; F612-I614 VanDerWaalsContact C-N 3.26Å; F612-I614 HydrophobicContact CB-CD1 4.07Å; F612-I614 HydrophobicContact CB-CG1 4.38Å; F612-I614 PolarHBondContact O-N 2.74Å; I614-F640 HydrophobicContact CD1-CD2 3.69Å; I614-F640 HydrophobicContact CD1-CE1 4.33Å; I614-F640 HydrophobicContact CD1-CE2 3.31Å; I614-F640 HydrophobicContact CD1-CG 4.34Å; I614-F640 HydrophobicContact CD1-CZ 3.69Å; I614-F640 HydrophobicContact CG2-CE1 3.99Å; I614-F640 HydrophobicContact CG2-CZ 3.92Å; I614-L696 HydrophobicContact CG2-CD2 3.97Å; I614-I700 HydrophobicContact CB-CG1 4.28Å; I614-I700 HydrophobicContact CG1-CG1 4.07Å; I614-I700 HydrophobicContact CG2-CD1 4.1Å; I614-I700 HydrophobicContact CG2-CG1 3.93Å
615D98.5Very high97.2Very high0 Ų016.2 Ų16.20%08%0.082CC..  trans-157.7139.7-172-178.360.6000111.7Y558 L613 V617 G618 L619 H645 C646 L647Y558-D615 WeakPolarHBondContact CE2-OD1 3.15Å; Y558-D615 PolarHBondContact OH-OD1 3.06Å; Y558-D615 PolarHBondContact OH-OD2 2.66Å; Y558-D615 VanDerWaalsContact OH-OD2 3.1Å; L613-D615 PolarHBondContact O-N 3.17Å; L613-D615 VanDerWaalsContact O-N 3.16Å; D615-V617 WeakPolarHBondContact OD2-CA 3.39Å; D615-V617 WeakPolarHBondContact OD2-CB 3.43Å; D615-V617 PolarHBondContact OD2-N 2.81Å; D615-V617 VanDerWaalsContact OD2-N 3.11Å; D615-G618 PolarHBondContact O-N 2.89Å; D615-G618 PolarHBondContact OD2-N 2.8Å; D615-L619 WeakPolarHBondContact O-CB 3.42Å; D615-L619 PolarHBondContact O-N 2.88Å; D615-H645 HydrophobicContact CB-CB 3.72Å; D615-H645 VanDerWaalsContact OD2-CA 3.23Å; D615-H645 WeakPolarHBondContact OD2-CA 3.49Å; D615-C646 PolarHBondContact OD1-N 3.32Å; D615-C646 VanDerWaalsContact OD1-N 3.16Å; D615-C646 PolarHBondContact OD2-N 2.76Å; D615-L647 HydrophobicContact CB-CB 4.28Å; D615-L647 WeakPolarHBondContact OD1-CB 3.45Å; D615-L647 PolarHBondContact OD1-N 2.75Å
616P98.2Very high97.3Very high4 Ų418.5 Ų18.53%0.02610%0.1CC..Hα-helixtrans-56.5-48.4174-24.629000114.6F254 F554 Y558 L619 V620 L684 F691 L696F254-P616 HydrophobicContact CE2-CB 3.76Å; F254-P616 HydrophobicContact CZ-CB 4.12Å; F554-P616 HydrophobicContact CZ-CG 4.25Å; Y558-P616 HydrophobicContact CE1-CB 4.17Å; Y558-P616 HydrophobicContact CE1-CG 4.2Å; Y558-P616 HydrophobicContact CE2-CG 4.24Å; Y558-P616 WeakPolarHBondContact OH-CB 3.2Å; Y558-P616 VanDerWaalsContact OH-CD 3.23Å; Y558-P616 WeakPolarHBondContact OH-CD 3.43Å; P616-L619 PolarHBondContact O-N 2.79Å; P616-V620 PolarHBondContact O-N 2.86Å; P616-L684 HydrophobicContact CG-CD2 4.23Å; P616-F691 HydrophobicContact CB-CB 4.32Å; P616-F691 HydrophobicContact CB-CD1 3.95Å; P616-F691 HydrophobicContact CB-CG 4.46Å; P616-F691 HydrophobicContact CG-CB 3.94Å; P616-F691 HydrophobicContact CG-CD1 4.2Å; P616-F691 HydrophobicContact CG-CG 4.24Å; P616-L696 HydrophobicContact CB-CD1 4.34Å; P616-L696 HydrophobicContact CG-CD1 4.03Å
617V98.4Very high97.5Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-68.7-42.4176.1170.40000110.9F254 Y558 M562 A565 Y567 D615 L619 V620 E621 K644F254-V617 HydrophobicContact CE1-CG2 4.35Å; F254-V617 HydrophobicContact CZ-CG2 4.15Å; Y558-V617 HydrophobicContact CE1-CG2 4.27Å; Y558-V617 PolarHBondContact OH-N 3.44Å; M562-V617 HydrophobicContact CB-CG2 4.26Å; M562-V617 HydrophobicContact CG-CG2 3.7Å; A565-V617 HydrophobicContact CB-CG1 4.11Å; Y567-V617 HydrophobicContact CD2-CG1 3.63Å; Y567-V617 HydrophobicContact CD2-CG2 4.24Å; Y567-V617 HydrophobicContact CE2-CG1 3.86Å; Y567-V617 HydrophobicContact CG-CG2 4.44Å; D615-V617 WeakPolarHBondContact OD2-CA 3.39Å; D615-V617 WeakPolarHBondContact OD2-CB 3.43Å; D615-V617 PolarHBondContact OD2-N 2.81Å; D615-V617 VanDerWaalsContact OD2-N 3.11Å; V617-L619 PolarHBondContact O-N 3.17Å; V617-V620 PolarHBondContact O-N 3.17Å; V617-E621 PolarHBondContact O-N 2.77Å; V617-K644 HydrophobicContact CG1-CD 4.14Å; V617-K644 HydrophobicContact CG1-CG 4.2Å
618G98.1Very high97.6Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-57.9-34.517600000112.8D615 G622 F640 S641 K644D615-G618 PolarHBondContact O-N 2.89Å; D615-G618 PolarHBondContact OD2-N 2.8Å; G618-G622 WeakPolarHBondContact O-CA 3.48Å; G618-G622 PolarHBondContact O-N 2.94Å; G618-F640 WeakPolarHBondContact O-CA 3.31Å; G618-S641 PolarHBondContact O-N 3.39Å; G618-K644 VanDerWaalsContact CA-O 3.28Å; G618-K644 WeakPolarHBondContact CA-O 3.39Å
619L98.5Very high97.5Very high5 Ų531.5 Ų31.53%0.02617%0.17CC..Hα-helixtrans-66.8-44.6173.1-17961000112D615 P616 V617 G622 I623 A638 F640 D693 R695 L696D615-L619 WeakPolarHBondContact O-CB 3.42Å; D615-L619 PolarHBondContact O-N 2.88Å; P616-L619 PolarHBondContact O-N 2.79Å; V617-L619 PolarHBondContact O-N 3.17Å; L619-G622 PolarHBondContact O-N 3.24Å; L619-I623 HydrophobicContact CD1-CD1 3.72Å; L619-I623 HydrophobicContact CD1-CG1 4.07Å; L619-I623 HydrophobicContact CG-CD1 3.83Å; L619-I623 WeakPolarHBondContact O-CB 3.44Å; L619-I623 WeakPolarHBondContact O-CD1 3.37Å; L619-I623 VanDerWaalsContact O-CG1 3.26Å; L619-I623 WeakPolarHBondContact O-CG1 3.42Å; L619-I623 PolarHBondContact O-N 3.35Å; L619-A638 HydrophobicContact CD1-CB 3.86Å; L619-F640 HydrophobicContact CB-CD1 4.11Å; L619-F640 HydrophobicContact CB-CE1 3.86Å; L619-F640 HydrophobicContact CD1-CE1 4.03Å; L619-F640 HydrophobicContact CD1-CZ 4.32Å; L619-F640 HydrophobicContact CG-CE1 4.43Å; L619-D693 HydrophobicContact CD2-CB 4.39Å; L619-R695 HydrophobicContact CD2-CB 4.17Å; L619-L696 HydrophobicContact CB-CD2 4.33Å; L619-L696 HydrophobicContact CD2-CD2 4.09Å; L619-L696 HydrophobicContact CD2-CG 4.03Å
620V98Very high97.5Very high18 Ų1834.6 Ų34.611%0.10918%0.184CC..Hα-helixtrans-62.3-45.8179.3174.30000111.1F254 R256 Y567 P616 V617 A624F254-V620 HydrophobicContact CB-CG2 4.02Å; F254-V620 HydrophobicContact CD2-CG2 3.79Å; F254-V620 HydrophobicContact CE2-CG2 4.38Å; F254-V620 HydrophobicContact CG-CG2 3.9Å; R256-V620 HydrophobicContact CG-CG1 3.62Å; Y567-V620 HydrophobicContact CE1-CG1 3.7Å; P616-V620 PolarHBondContact O-N 2.86Å; V617-V620 PolarHBondContact O-N 3.17Å; V620-A624 PolarHBondContact O-N 2.98Å
621E98.1Very high97.6Very high23 Ų2332 Ų3211%0.10717%0.174CC..Hα-helixtrans-71-37176.2-67.9-72.1-173.100112Y567 V617 A624 Q625 K644Y567-E621 HydrophobicContact CE2-CG 4.1Å; Y567-E621 WeakPolarHBondContact CE2-OE1 3.29Å; Y567-E621 PolarHBondContact OH-OE1 3.03Å; V617-E621 PolarHBondContact O-N 2.77Å; E621-A624 VanDerWaalsContact O-CB 3.29Å; E621-A624 WeakPolarHBondContact O-CB 3.15Å; E621-A624 PolarHBondContact O-N 3.22Å; E621-A624 VanDerWaalsContact O-N 3.11Å; E621-Q625 PolarHBondContact O-N 3.05Å; E621-K644 HydrophobicContact CG-CB 4.35Å; E621-K644 HydrophobicContact CG-CD 3.92Å; E621-K644 IonicContact OE1-NZ 2.74Å; E621-K644 PolarHBondContact OE1-NZ 3.07Å
622G97.8Very high97.6Very high0 Ų032.2 Ų32.20%018%0.176CC..Hα-helixtrans-68.9-37.1-17900000113.1G618 L619 A624 Q625 P626 S631 W639G618-G622 WeakPolarHBondContact O-CA 3.48Å; G618-G622 PolarHBondContact O-N 2.94Å; L619-G622 PolarHBondContact O-N 3.24Å; G622-A624 PolarHBondContact O-N 2.92Å; G622-Q625 CarbonylContact O-C 3.56Å; G622-Q625 PolarHBondContact O-N 3.13Å; G622-Q625 VanDerWaalsContact O-O 3.12Å; G622-P626 VanDerWaalsContact O-CA 3.28Å; G622-P626 WeakPolarHBondContact O-CA 3.44Å; G622-P626 VanDerWaalsContact O-N 3.1Å; G622-S631 VanDerWaalsContact CA-OG 3.31Å; G622-S631 WeakPolarHBondContact CA-OG 3.35Å; G622-W639 CarbonylContact C-O 3.28Å; G622-W639 VanDerWaalsContact CA-O 3.3Å; G622-W639 WeakPolarHBondContact CA-O 3.33Å; G622-W639 WeakPolarHBondContact O-CB 3.12Å
623I97.2Very high97.6Very high72 Ų7237.5 Ų37.537%0.36920%0.2SC..Hα-helixtrans-65.2-28.5171.2-68.2163.8000111.5L619 Q625 P626L619-I623 HydrophobicContact CD1-CD1 3.72Å; L619-I623 HydrophobicContact CD1-CG1 4.07Å; L619-I623 HydrophobicContact CG-CD1 3.83Å; L619-I623 WeakPolarHBondContact O-CB 3.44Å; L619-I623 WeakPolarHBondContact O-CD1 3.37Å; L619-I623 VanDerWaalsContact O-CG1 3.26Å; L619-I623 WeakPolarHBondContact O-CG1 3.42Å; L619-I623 PolarHBondContact O-N 3.35Å; I623-Q625 VanDerWaalsContact C-N 3.32Å; I623-P626 WeakPolarHBondContact O-CD 3.46Å
624A97.3Very high97.6Very high31 Ų3136.9 Ų36.926%0.25620%0.2SC..Hα-helixtrans-72.6-26.4176.400000113.5V620 E621 G622V620-A624 PolarHBondContact O-N 2.98Å; E621-A624 VanDerWaalsContact O-CB 3.29Å; E621-A624 WeakPolarHBondContact O-CB 3.15Å; E621-A624 PolarHBondContact O-N 3.22Å; E621-A624 VanDerWaalsContact O-N 3.11Å; G622-A624 PolarHBondContact O-N 2.92Å
625Q97.2Very high97.5Very high81 Ų8139.1 Ų39.138%0.37921%0.209SC..SBendtrans-135.271.4176.1-59.6-173.9-77.300109.5E621 G622 I623 D627 H630 S631E621-Q625 PolarHBondContact O-N 3.05Å; G622-Q625 CarbonylContact O-C 3.56Å; G622-Q625 PolarHBondContact O-N 3.13Å; G622-Q625 VanDerWaalsContact O-O 3.12Å; I623-Q625 VanDerWaalsContact C-N 3.32Å; Q625-D627 PolarHBondContact O-N 3.44Å; Q625-H630 HydrophobicContact CB-CB 3.71Å; Q625-H630 PolarHBondContact NE2-CD2 2.91Å; Q625-H630 VanDerWaalsContact NE2-CD2 3.32Å; Q625-H630 PolarHBondContact NE2-NE2 3.15Å; Q625-S631 WeakPolarHBondContact O-CB 3.29Å; Q625-S631 PolarHBondContact O-OG 2.9Å
626P96.8Very high97.4Very high70 Ų7043 Ų4346%0.45523%0.229SC..  trans-82.258.7-171.335.4-35.5000110.9G622 I623 W639G622-P626 VanDerWaalsContact O-CA 3.28Å; G622-P626 WeakPolarHBondContact O-CA 3.44Å; G622-P626 VanDerWaalsContact O-N 3.1Å; I623-P626 WeakPolarHBondContact O-CD 3.46Å; P626-W639 HydrophobicContact CB-CB 4.18Å; P626-W639 HydrophobicContact CB-CD2 4.06Å; P626-W639 HydrophobicContact CB-CG 3.65Å
627D96.9Very high97.3Very high48 Ų4849.8 Ų49.826%0.25727%0.266SS..SBendtrans-133.3155-17966.173.5000111.1Q625 E629 H630 S631Q625-D627 PolarHBondContact O-N 3.44Å; D627-E629 PolarHBondContact O-N 3.16Å; D627-E629 WeakPolarHBondContact OD1-CA 3.29Å; D627-E629 VanDerWaalsContact OD1-CB 3.28Å; D627-E629 WeakPolarHBondContact OD1-CB 3.4Å; D627-E629 PolarHBondContact OD1-N 3.06Å; D627-H630 VanDerWaalsContact CG-ND1 3.27Å; D627-H630 PolarHBondContact O-N 2.87Å; D627-H630 IonicContact OD1-CE1 3.36Å; D627-H630 IonicContact OD1-CG 2.64Å; D627-H630 PolarHBondContact OD1-N 3.17Å; D627-H630 IonicContact OD1-ND1 3.43Å; D627-H630 PolarHBondContact OD1-ND1 3.33Å; D627-H630 IonicContact OD2-CE1 2.62Å; D627-H630 IonicContact OD2-CG 3.07Å; D627-H630 IonicContact OD2-ND1 3.49Å; D627-H630 PolarHBondContact OD2-ND1 2.8Å; D627-S631 WeakPolarHBondContact O-CA 3.23Å; D627-S631 WeakPolarHBondContact O-CB 3.23Å; D627-S631 PolarHBondContact O-N 3.44Å
628P95.4Very high97.3Very high91 Ų9149.8 Ų49.859%0.59127%0.266SS*.THydrogen-bonded Turntrans-65.3-17.6-176.7-23.334.1000115.4S631 W639 R642P628-S631 CarbonylContact C-O 3.5Å; P628-S631 WeakPolarHBondContact CA-O 3.27Å; P628-W639 HydrophobicContact CG-CH2 4.05Å; P628-W639 HydrophobicContact CG-CZ3 4.29Å; P628-R642 PolarHBondContact O-NE 3.28Å; P628-R642 VanDerWaalsContact O-NE 3.16Å
629E96.4Very high97.3Very high136 Ų13652 Ų5264%0.63627%0.274SS*.THydrogen-bonded Turntrans-74.2-47.7-179.6-179179.5-179.700110.4D627D627-E629 PolarHBondContact O-N 3.16Å; D627-E629 WeakPolarHBondContact OD1-CA 3.29Å; D627-E629 VanDerWaalsContact OD1-CB 3.28Å; D627-E629 WeakPolarHBondContact OD1-CB 3.4Å; D627-E629 PolarHBondContact OD1-N 3.06Å
630H97.2Very high97.3Very high64 Ų6451.8 Ų51.830%0.29627%0.273SS..THydrogen-bonded Turntrans-93.5-24.6-176.8-56.790.6000113.3Q625 D627 R642Q625-H630 HydrophobicContact CB-CB 3.71Å; Q625-H630 PolarHBondContact NE2-CD2 2.91Å; Q625-H630 VanDerWaalsContact NE2-CD2 3.32Å; Q625-H630 PolarHBondContact NE2-NE2 3.15Å; D627-H630 VanDerWaalsContact CG-ND1 3.27Å; D627-H630 PolarHBondContact O-N 2.87Å; D627-H630 IonicContact OD1-CE1 3.36Å; D627-H630 IonicContact OD1-CG 2.64Å; D627-H630 PolarHBondContact OD1-N 3.17Å; D627-H630 IonicContact OD1-ND1 3.43Å; D627-H630 PolarHBondContact OD1-ND1 3.33Å; D627-H630 IonicContact OD2-CE1 2.62Å; D627-H630 IonicContact OD2-CG 3.07Å; D627-H630 IonicContact OD2-ND1 3.49Å; D627-H630 PolarHBondContact OD2-ND1 2.8Å; H630-R642 WeakPolarHBondContact O-CB 3.45Å; H630-R642 PolarHBondContact O-N 3.17Å
631S98Very high97.3Very high0 Ų051.4 Ų51.40%027%0.271CS..EExtended strand (participates in β ladder)trans-135.5163.8-167.9-61.60000112.7G622 Q625 D627 P628 F640 R642G622-S631 VanDerWaalsContact CA-OG 3.31Å; G622-S631 WeakPolarHBondContact CA-OG 3.35Å; Q625-S631 WeakPolarHBondContact O-CB 3.29Å; Q625-S631 PolarHBondContact O-OG 2.9Å; D627-S631 WeakPolarHBondContact O-CA 3.23Å; D627-S631 WeakPolarHBondContact O-CB 3.23Å; D627-S631 PolarHBondContact O-N 3.44Å; P628-S631 CarbonylContact C-O 3.5Å; P628-S631 WeakPolarHBondContact CA-O 3.27Å; S631-F640 CarbonylContact C-O 3.52Å; S631-F640 WeakPolarHBondContact CA-O 3.27Å; S631-F640 WeakPolarHBondContact CB-O 3.45Å; S631-R642 PolarHBondContact O-NE 2.76Å
632T97.7Very high97.3Very high7 Ų752 Ų524%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-115.4139.5168.5-1750000110F612 L613 F640 L767F612-T632 WeakPolarHBondContact O-CG2 2.99Å; L613-T632 HydrophobicContact CB-CG2 4.34Å; L613-T632 HydrophobicContact CD1-CG2 4.34Å; L613-T632 HydrophobicContact CG-CG2 4.47Å; T632-F640 HydrophobicContact CG2-CB 4.02Å; T632-F640 PolarHBondContact N-O 2.9Å; T632-F640 PolarHBondContact O-N 2.9Å; T632-L767 HydrophobicContact CG2-CD2 4.39Å
633E97.8Very high97.3Very high113 Ų11360.2 Ų60.253%0.52831%0.311SS..EExtended strand (participates in β ladder)trans-74.2136.6-176.9-166.1-179-162.500111.6W639 R703E633-W639 HydrophobicContact CB-CE3 4.35Å; E633-W639 HydrophobicContact CB-CH2 4.24Å; E633-W639 HydrophobicContact CB-CZ2 4.37Å; E633-W639 HydrophobicContact CB-CZ3 4.22Å; E633-W639 HydrophobicContact CG-CZ2 4.27Å; E633-R703 PolarHBondContact O-NH2 2.84Å
634G97.4Very high97.3Very high10 Ų1060.4 Ų60.410%0.10331%0.309CS..  trans-102.3-138170.600000112.3A638G634-A638 PolarHBondContact N-O 2.97Å
635F96.9Very high97.3Very high48 Ų4860.8 Ų60.821%0.21131%0.305CS..SBendtrans-128.2160.8172.2-70.3-95.6000109.8A638 S699 M702 R703F635-A638 WeakPolarHBondContact O-CB 3.38Å; F635-A638 PolarHBondContact O-N 3.36Å; F635-S699 PolarHBondContact N-OG 3.13Å; F635-S699 PolarHBondContact O-OG 3.38Å; F635-M702 HydrophobicContact CB-CB 4.41Å; F635-M702 HydrophobicContact CB-CE 4.48Å; F635-M702 HydrophobicContact CB-SD 3.78Å; F635-M702 HydrophobicContact CD1-CB 3.68Å; F635-M702 HydrophobicContact CD1-CE 3.42Å; F635-M702 VanDerWaalsContact CD1-CE 3.42Å; F635-M702 HydrophobicContact CD1-CG 4.33Å; F635-M702 HydrophobicContact CD1-SD 3.75Å; F635-M702 HydrophobicContact CD2-CB 3.81Å; F635-M702 HydrophobicContact CE1-CB 3.73Å; F635-M702 HydrophobicContact CE1-CE 3.92Å; F635-M702 HydrophobicContact CE2-CB 3.87Å; F635-M702 HydrophobicContact CG-CB 3.7Å; F635-M702 HydrophobicContact CG-CE 4.21Å; F635-M702 HydrophobicContact CG-CG 4.39Å; F635-M702 HydrophobicContact CG-SD 3.91Å; F635-M702 HydrophobicContact CZ-CB 3.81Å; F635-R703 HydrophobicContact CE2-CB 3.93Å
636L96.1Very high97.3Very high81 Ų8157.1 Ų57.142%0.42429%0.288SS..SBendtrans58.348.1-174.7-53.7177.8000112.1A638 P694 R695 S698L636-A638 PolarHBondContact O-N 3.06Å; L636-A638 VanDerWaalsContact O-N 3.08Å; L636-P694 HydrophobicContact CD1-CB 4.41Å; L636-R695 HydrophobicContact CB-CG 4.03Å; L636-S698 WeakPolarHBondContact CD1-OG 3.43Å
637D96.2Very high97.3Very high148 Ų14853.8 Ų53.879%0.79127%0.267SS*.SBendtrans57.222.3-178.7-52.4-47.6000114.2
638A97.9Very high97.2Very high0 Ų051.8 Ų51.80%026%0.256CS..  trans-76.2138.3175.700000111.3L619 G634 F635 L636 F640 R695L619-A638 HydrophobicContact CD1-CB 3.86Å; G634-A638 PolarHBondContact N-O 2.97Å; F635-A638 WeakPolarHBondContact O-CB 3.38Å; F635-A638 PolarHBondContact O-N 3.36Å; L636-A638 PolarHBondContact O-N 3.06Å; L636-A638 VanDerWaalsContact O-N 3.08Å; A638-F640 HydrophobicContact CB-CE2 3.93Å; A638-F640 HydrophobicContact CB-CZ 4.05Å; A638-R695 HydrophobicContact CB-CB 3.99Å; A638-R695 HydrophobicContact CB-CG 4.41Å
639W98.6Very high97.2Very high46 Ų4652.2 Ų52.217%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-127.4137.9168.2-74.582.9000108.1G622 P626 P628 E633G622-W639 CarbonylContact C-O 3.28Å; G622-W639 VanDerWaalsContact CA-O 3.3Å; G622-W639 WeakPolarHBondContact CA-O 3.33Å; G622-W639 WeakPolarHBondContact O-CB 3.12Å; P626-W639 HydrophobicContact CB-CB 4.18Å; P626-W639 HydrophobicContact CB-CD2 4.06Å; P626-W639 HydrophobicContact CB-CG 3.65Å; P628-W639 HydrophobicContact CG-CH2 4.05Å; P628-W639 HydrophobicContact CG-CZ3 4.29Å; E633-W639 HydrophobicContact CB-CE3 4.35Å; E633-W639 HydrophobicContact CB-CH2 4.24Å; E633-W639 HydrophobicContact CB-CZ2 4.37Å; E633-W639 HydrophobicContact CB-CZ3 4.22Å; E633-W639 HydrophobicContact CG-CZ2 4.27Å
640F98.7Very high97Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-118.1127.2-178.1-62.9-77.2000110.7L613 I614 G618 L619 S631 T632 A638 R642 L696L613-F640 HydrophobicContact CB-CB 4.48Å; I614-F640 HydrophobicContact CD1-CD2 3.69Å; I614-F640 HydrophobicContact CD1-CE1 4.33Å; I614-F640 HydrophobicContact CD1-CE2 3.31Å; I614-F640 HydrophobicContact CD1-CG 4.34Å; I614-F640 HydrophobicContact CD1-CZ 3.69Å; I614-F640 HydrophobicContact CG2-CE1 3.99Å; I614-F640 HydrophobicContact CG2-CZ 3.92Å; G618-F640 WeakPolarHBondContact O-CA 3.31Å; L619-F640 HydrophobicContact CB-CD1 4.11Å; L619-F640 HydrophobicContact CB-CE1 3.86Å; L619-F640 HydrophobicContact CD1-CE1 4.03Å; L619-F640 HydrophobicContact CD1-CZ 4.32Å; L619-F640 HydrophobicContact CG-CE1 4.43Å; S631-F640 CarbonylContact C-O 3.52Å; S631-F640 WeakPolarHBondContact CA-O 3.27Å; S631-F640 WeakPolarHBondContact CB-O 3.45Å; T632-F640 HydrophobicContact CG2-CB 4.02Å; T632-F640 PolarHBondContact N-O 2.9Å; T632-F640 PolarHBondContact O-N 2.9Å; A638-F640 HydrophobicContact CB-CE2 3.93Å; A638-F640 HydrophobicContact CB-CZ 4.05Å; F640-R642 PolarHBondContact O-N 3.13Å; F640-L696 HydrophobicContact CE1-CD2 3.73Å; F640-L696 HydrophobicContact CZ-CD2 4.28Å
641S98.5Very high96.9Very high11 Ų1143 Ų438%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-59.3131.7179.4-179.90000112G618 E643 K644 H645G618-S641 PolarHBondContact O-N 3.39Å; S641-E643 VanDerWaalsContact C-N 3.29Å; S641-E643 PolarHBondContact O-N 2.86Å; S641-E643 PolarHBondContact OG-N 2.87Å; S641-K644 PolarHBondContact OG-N 3.02Å; S641-K644 VanDerWaalsContact OG-N 3.13Å; S641-H645 PolarHBondContact O-ND1 3.49Å
642R97.7Very high96.6Very high36 Ų3644.4 Ų44.414%0.13622%0.217CC..SBendtrans-68.7-27.6176.3-70.5177.3178.2-81.72.2113.5L613 P628 H630 S631 F640 H645 Q765 R766L613-R642 HydrophobicContact CD1-CB 4.43Å; L613-R642 HydrophobicContact CD1-CG 4.42Å; P628-R642 PolarHBondContact O-NE 3.28Å; P628-R642 VanDerWaalsContact O-NE 3.16Å; H630-R642 WeakPolarHBondContact O-CB 3.45Å; H630-R642 PolarHBondContact O-N 3.17Å; S631-R642 PolarHBondContact O-NE 2.76Å; F640-R642 PolarHBondContact O-N 3.13Å; R642-H645 PolarHBondContact O-CE1 3.23Å; R642-Q765 PolarHBondContact NH1-O 2.78Å; R642-Q765 PolarHBondContact NH2-O 2.87Å; R642-R766 PolarHBondContact NH1-O 3.2Å
643E96.6Very high96.2Very high171 Ų17148.2 Ų48.280%0.79924%0.237SC*.SBendtrans-113.3-27.6-169.2-58.8-58.5143.700113.6S641S641-E643 VanDerWaalsContact C-N 3.29Å; S641-E643 PolarHBondContact O-N 2.86Å; S641-E643 PolarHBondContact OG-N 2.87Å
644K97Very high95.8Very high77 Ų7743.4 Ų43.434%0.33521%0.214SC..  trans-119.197.2-177.3-164.7-174.9-63.8176.50111.9A565 Y567 V617 G618 E621 S641A565-K644 HydrophobicContact CB-CD 4.09Å; A565-K644 HydrophobicContact CB-CG 4.18Å; A565-K644 WeakPolarHBondContact O-CD 3.41Å; A565-K644 PolarHBondContact O-NZ 2.88Å; Y567-K644 HydrophobicContact CE2-CD 4.35Å; V617-K644 HydrophobicContact CG1-CD 4.14Å; V617-K644 HydrophobicContact CG1-CG 4.2Å; G618-K644 VanDerWaalsContact CA-O 3.28Å; G618-K644 WeakPolarHBondContact CA-O 3.39Å; E621-K644 HydrophobicContact CG-CB 4.35Å; E621-K644 HydrophobicContact CG-CD 3.92Å; E621-K644 IonicContact OE1-NZ 2.74Å; E621-K644 PolarHBondContact OE1-NZ 3.07Å; S641-K644 PolarHBondContact OG-N 3.02Å; S641-K644 VanDerWaalsContact OG-N 3.13Å
645H97.6Very high95.4Very high38 Ų3843.3 Ų43.318%0.17621%0.211CC..  trans-152.8150.3177.848.5-92.5000110.9D615 S641 R642 P648D615-H645 HydrophobicContact CB-CB 3.72Å; D615-H645 VanDerWaalsContact OD2-CA 3.23Å; D615-H645 WeakPolarHBondContact OD2-CA 3.49Å; S641-H645 PolarHBondContact O-ND1 3.49Å; R642-H645 PolarHBondContact O-CE1 3.23Å; H645-P648 HydrophobicContact CB-CG 4.24Å; H645-P648 VanDerWaalsContact CD2-CG 3.46Å; H645-P648 WeakPolarHBondContact CD2-CG 3.18Å
646C97.3Very high94.9Very high4 Ų446.1 Ų46.13%0.02722%0.224CC..SBendtrans-110.9-41.7-175.9-58.60000113.2Y558 R561 D615 E649 I650Y558-C646 HydrophobicContact CD2-CB 4.15Å; Y558-C646 HydrophobicContact CE2-CB 3.54Å; R561-C646 HydrophobicContact CB-CB 3.88Å; D615-C646 PolarHBondContact OD1-N 3.32Å; D615-C646 VanDerWaalsContact OD1-N 3.16Å; D615-C646 PolarHBondContact OD2-N 2.76Å; C646-E649 PolarHBondContact O-N 3Å; C646-I650 WeakPolarHBondContact O-CG1 3.49Å; C646-I650 PolarHBondContact O-N 2.82Å
647L97Very high94.5Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-64.3-41.3-173.3-171.960.6000113.6F554 Y558 I609 D615 E649 I650 V651 F680 L684F554-L647 HydrophobicContact CD2-CD1 4.41Å; F554-L647 HydrophobicContact CE2-CD1 3.55Å; F554-L647 HydrophobicContact CE2-CD2 4.1Å; F554-L647 HydrophobicContact CE2-CG 4.45Å; F554-L647 HydrophobicContact CZ-CD1 4.08Å; F554-L647 HydrophobicContact CZ-CD2 4.39Å; Y558-L647 HydrophobicContact CE2-CB 4.03Å; I609-L647 HydrophobicContact CD1-CD2 4.23Å; I609-L647 HydrophobicContact CG2-CB 4.47Å; I609-L647 HydrophobicContact CG2-CD2 4.03Å; I609-L647 HydrophobicContact CG2-CG 3.86Å; D615-L647 HydrophobicContact CB-CB 4.28Å; D615-L647 WeakPolarHBondContact OD1-CB 3.45Å; D615-L647 PolarHBondContact OD1-N 2.75Å; L647-E649 VanDerWaalsContact C-N 3.27Å; L647-E649 PolarHBondContact O-N 2.75Å; L647-I650 PolarHBondContact O-N 2.96Å; L647-V651 HydrophobicContact CD1-CG2 4.06Å; L647-V651 HydrophobicContact CG-CG2 4.18Å; L647-V651 WeakPolarHBondContact O-CG2 3.35Å; L647-V651 PolarHBondContact O-N 3.22Å; L647-F680 HydrophobicContact CD1-CD2 4.04Å; L647-L684 HydrophobicContact CD2-CD1 3.95Å
648P96.2Very high94.1Very high6 Ų637.5 Ų37.54%0.03918%0.183CC..Hα-helixtrans-56-38.8176.1-29.337.9000113.6I609 L613 H645 T652I609-P648 HydrophobicContact CG2-CG 4.44Å; L613-P648 HydrophobicContact CD2-CG 4.41Å; H645-P648 HydrophobicContact CB-CG 4.24Å; H645-P648 VanDerWaalsContact CD2-CG 3.46Å; H645-P648 WeakPolarHBondContact CD2-CG 3.18Å; P648-T652 VanDerWaalsContact O-CB 3.31Å; P648-T652 WeakPolarHBondContact O-CB 3.47Å; P648-T652 PolarHBondContact O-N 3.28Å; P648-T652 PolarHBondContact O-OG1 2.85Å
649E93.4Very high93.6Very high101 Ų10140.1 Ų40.147%0.47220%0.197SC..Hα-helixtrans-68-45.3176.5-62.3-177.4168.500111.8C646 L647 V651 T652 N653C646-E649 PolarHBondContact O-N 3Å; L647-E649 VanDerWaalsContact C-N 3.27Å; L647-E649 PolarHBondContact O-N 2.75Å; E649-V651 VanDerWaalsContact C-N 3.34Å; E649-V651 PolarHBondContact O-N 3.2Å; E649-T652 PolarHBondContact O-N 3.41Å; E649-N653 VanDerWaalsContact O-CG 3.27Å; E649-N653 PolarHBondContact O-N 3.36Å; E649-N653 PolarHBondContact O-ND2 3.06Å
650I93.7Very high92.9Very high5 Ų541.1 Ų41.13%0.02620%0.204CC..Hα-helixtrans-58.8-48.9177.6-63.4168.4000109.8L557 Y558 C646 L647 T652 N653 I654 F680L557-I650 HydrophobicContact CB-CD1 4.29Å; L557-I650 HydrophobicContact CB-CG2 4.27Å; L557-I650 HydrophobicContact CD1-CG2 4.07Å; Y558-I650 HydrophobicContact CD2-CD1 3.85Å; C646-I650 WeakPolarHBondContact O-CG1 3.49Å; C646-I650 PolarHBondContact O-N 2.82Å; L647-I650 PolarHBondContact O-N 2.96Å; I650-T652 VanDerWaalsContact C-N 3.33Å; I650-T652 PolarHBondContact O-N 2.81Å; I650-N653 PolarHBondContact O-N 3.4Å; I650-I654 HydrophobicContact CG2-CD1 3.78Å; I650-I654 VanDerWaalsContact O-CG1 3.28Å; I650-I654 WeakPolarHBondContact O-CG1 3.08Å; I650-I654 PolarHBondContact O-N 2.99Å; I650-F680 HydrophobicContact CG2-CD2 4.4Å; I650-F680 HydrophobicContact CG2-CE2 3.67Å
651V94.1Very high92.2Very high1 Ų141.1 Ų41.11%0.00620%0.204CC..Hα-helixtrans-64-39.6179.9175.40000111P606 I609 R610 L647 E649 I654 W655 F680P606-V651 HydrophobicContact CB-CG1 3.68Å; I609-V651 HydrophobicContact CG2-CB 4.5Å; I609-V651 HydrophobicContact CG2-CG2 4.03Å; R610-V651 HydrophobicContact CG-CB 4.28Å; R610-V651 HydrophobicContact CG-CG1 3.93Å; L647-V651 HydrophobicContact CD1-CG2 4.06Å; L647-V651 HydrophobicContact CG-CG2 4.18Å; L647-V651 WeakPolarHBondContact O-CG2 3.35Å; L647-V651 PolarHBondContact O-N 3.22Å; E649-V651 VanDerWaalsContact C-N 3.34Å; E649-V651 PolarHBondContact O-N 3.2Å; V651-I654 PolarHBondContact O-N 2.95Å; V651-W655 VanDerWaalsContact O-CB 3.26Å; V651-W655 WeakPolarHBondContact O-CB 3.35Å; V651-W655 PolarHBondContact O-N 2.88Å; V651-F680 HydrophobicContact CG2-CD2 4.42Å
652T92Very high91.7Very high30 Ų3045 Ų4518%0.18422%0.219CC..Hα-helixtrans-62.2-44.4176-61.40000111.9R610 P648 E649 I650 W655 H656R610-T652 PolarHBondContact NE-OG1 2.86Å; P648-T652 VanDerWaalsContact O-CB 3.31Å; P648-T652 WeakPolarHBondContact O-CB 3.47Å; P648-T652 PolarHBondContact O-N 3.28Å; P648-T652 PolarHBondContact O-OG1 2.85Å; E649-T652 PolarHBondContact O-N 3.41Å; I650-T652 VanDerWaalsContact C-N 3.33Å; I650-T652 PolarHBondContact O-N 2.81Å; T652-W655 WeakPolarHBondContact O-CB 3.42Å; T652-W655 PolarHBondContact O-N 3.4Å; T652-H656 VanDerWaalsContact CG2-CE1 3.5Å; T652-H656 WeakPolarHBondContact CG2-CE1 3.38Å; T652-H656 PolarHBondContact O-N 3.31Å
653N88.5Confident91.2Very high87 Ų8752 Ų5247%0.46525%0.246SC..Hα-helixtrans-64.8-43.1178.5-69.1-23.2000112.1E649 I650 W655 H656 G657E649-N653 VanDerWaalsContact O-CG 3.27Å; E649-N653 PolarHBondContact O-N 3.36Å; E649-N653 PolarHBondContact O-ND2 3.06Å; I650-N653 PolarHBondContact O-N 3.4Å; N653-W655 VanDerWaalsContact C-N 3.29Å; N653-W655 PolarHBondContact O-N 3.01Å; N653-H656 PolarHBondContact O-N 3.25Å; N653-G657 PolarHBondContact O-N 3.35Å
654I90Very high90.6Very high11 Ų1149.5 Ų49.56%0.05623%0.234CC..Hα-helixtrans-64.7-37.5176.1-65.6171.7000110.5V539 L557 I650 V651 R658 L673 I676 M677 F680V539-I654 HydrophobicContact CG1-CG1 4.35Å; L557-I654 HydrophobicContact CD1-CD1 4.18Å; I650-I654 HydrophobicContact CG2-CD1 3.78Å; I650-I654 VanDerWaalsContact O-CG1 3.28Å; I650-I654 WeakPolarHBondContact O-CG1 3.08Å; I650-I654 PolarHBondContact O-N 2.99Å; V651-I654 PolarHBondContact O-N 2.95Å; I654-R658 PolarHBondContact O-N 3.48Å; I654-R658 VanDerWaalsContact O-N 3.07Å; I654-L673 HydrophobicContact CB-CD2 4.32Å; I654-L673 HydrophobicContact CG2-CB 4.02Å; I654-L673 HydrophobicContact CG2-CD2 3.61Å; I654-L673 HydrophobicContact CG2-CG 4.45Å; I654-I676 HydrophobicContact CD1-CG2 3.86Å; I654-M677 HydrophobicContact CB-CG 4.08Å; I654-M677 HydrophobicContact CG2-CG 3.31Å; I654-M677 HydrophobicContact CG2-SD 4.01Å; I654-F680 HydrophobicContact CD1-CD2 4.39Å; I654-F680 HydrophobicContact CD1-CE2 3.59Å; I654-F680 HydrophobicContact CD1-CZ 4.18Å
655W88.6Confident90Very high8 Ų848.3 Ų48.33%0.0324%0.244CC..Hα-helixtrans-64-51.5175.7-174.2-65.7000112K602 P606 V651 T652 N653 G657 R658 D659 M677K602-W655 HydrophobicContact CB-CH2 4.06Å; K602-W655 HydrophobicContact CB-CZ2 4.31Å; K602-W655 HydrophobicContact CD-CH2 4.09Å; K602-W655 HydrophobicContact CD-CZ2 3.51Å; K602-W655 VanDerWaalsContact CE-CZ2 3.43Å; K602-W655 HydrophobicContact CG-CH2 3.71Å; K602-W655 HydrophobicContact CG-CZ2 3.66Å; K602-W655 WeakPolarHBondContact O-CH2 3.42Å; P606-W655 HydrophobicContact CB-CE3 4.33Å; P606-W655 HydrophobicContact CB-CZ3 4.26Å; V651-W655 VanDerWaalsContact O-CB 3.26Å; V651-W655 WeakPolarHBondContact O-CB 3.35Å; V651-W655 PolarHBondContact O-N 2.88Å; T652-W655 WeakPolarHBondContact O-CB 3.42Å; T652-W655 PolarHBondContact O-N 3.4Å; N653-W655 VanDerWaalsContact C-N 3.29Å; N653-W655 PolarHBondContact O-N 3.01Å; W655-G657 VanDerWaalsContact C-N 3.3Å; W655-G657 PolarHBondContact O-N 3.28Å; W655-R658 WeakPolarHBondContact O-CA 3.26Å; W655-R658 VanDerWaalsContact O-CB 3.32Å; W655-R658 WeakPolarHBondContact O-CB 3.48Å; W655-R658 PolarHBondContact O-N 2.7Å; W655-D659 VanDerWaalsContact CD1-OD2 3.26Å; W655-D659 PolarHBondContact NE1-OD2 3.5Å; W655-D659 PolarHBondContact O-N 3.2Å; W655-M677 HydrophobicContact CB-SD 4Å; W655-M677 HydrophobicContact CE3-SD 3.96Å
656H88.2Confident89Confident107 Ų10748.5 Ų48.550%0.49525%0.246SC..Hα-helixtrans-60.4-41.6177.6-67.7170.1000111.5T652 N653 R658 D659 E660T652-H656 VanDerWaalsContact CG2-CE1 3.5Å; T652-H656 WeakPolarHBondContact CG2-CE1 3.38Å; T652-H656 PolarHBondContact O-N 3.31Å; N653-H656 PolarHBondContact O-N 3.25Å; H656-R658 PolarHBondContact O-N 3.08Å; H656-D659 PolarHBondContact O-N 2.83Å; H656-E660 WeakPolarHBondContact O-CB 3.46Å; H656-E660 PolarHBondContact O-N 2.94Å
657G86Confident88.2Confident26 Ų2656.5 Ų56.527%0.26828%0.28SS..Hα-helixtrans-57.8-30.8172.500000112.5N653 W655 A661 L673N653-G657 PolarHBondContact O-N 3.35Å; W655-G657 VanDerWaalsContact C-N 3.3Å; W655-G657 PolarHBondContact O-N 3.28Å; G657-A661 VanDerWaalsContact O-CB 3.22Å; G657-A661 WeakPolarHBondContact O-CB 3.46Å; G657-A661 PolarHBondContact O-N 3.49Å; G657-L673 VanDerWaalsContact O-CD1 3.3Å; G657-L673 WeakPolarHBondContact O-CD1 3.41Å
658R89Confident87.3Confident23 Ų2357.4 Ų57.49%0.08729%0.286CS..Hα-helixtrans-78.3-42.2-178.5-175.4-178.1172.8-141.2-3.4111S603 I654 W655 H656 E660 A661 K662 L673 M677S603-R658 PolarHBondContact OG-NH1 2.82Å; I654-R658 PolarHBondContact O-N 3.48Å; I654-R658 VanDerWaalsContact O-N 3.07Å; W655-R658 WeakPolarHBondContact O-CA 3.26Å; W655-R658 VanDerWaalsContact O-CB 3.32Å; W655-R658 WeakPolarHBondContact O-CB 3.48Å; W655-R658 PolarHBondContact O-N 2.7Å; H656-R658 PolarHBondContact O-N 3.08Å; R658-E660 VanDerWaalsContact C-N 3.31Å; R658-A661 PolarHBondContact O-N 3.07Å; R658-K662 WeakPolarHBondContact O-CG 3.44Å; R658-K662 PolarHBondContact O-N 2.91Å; R658-L673 HydrophobicContact CB-CB 3.85Å; R658-L673 HydrophobicContact CB-CD1 3.84Å; R658-L673 HydrophobicContact CB-CG 4.49Å; R658-L673 HydrophobicContact CG-CB 4.21Å; R658-L673 VanDerWaalsContact N-CD1 3.29Å; R658-M677 HydrophobicContact CB-CE 4.39Å; R658-M677 VanDerWaalsContact CD-CE 3.42Å
659D87.2Confident86.4Confident54 Ų5458.2 Ų58.229%0.28929%0.29SS..Hα-helixtrans-63.8-40.4174.9-74.6-23.8000110.3K602 W655 H656 K662 R663K602-D659 IonicContact NZ-OD1 2.57Å; K602-D659 PolarHBondContact NZ-OD1 2.8Å; K602-D659 IonicContact NZ-OD2 3.96Å; K602-D659 PolarHBondContact NZ-OD2 3.26Å; W655-D659 VanDerWaalsContact CD1-OD2 3.26Å; W655-D659 PolarHBondContact NE1-OD2 3.5Å; W655-D659 PolarHBondContact O-N 3.2Å; H656-D659 PolarHBondContact O-N 2.83Å; D659-K662 PolarHBondContact O-N 3.42Å; D659-R663 WeakPolarHBondContact O-CB 3.3Å; D659-R663 PolarHBondContact O-N 3.3Å
660E83.2Confident85.9Confident67 Ų6754.1 Ų54.131%0.31327%0.273SS..Hα-helixtrans-64.6-43.9173.5-17858-163.900112.4H656 R658 K662 R663 Q664H656-E660 WeakPolarHBondContact O-CB 3.46Å; H656-E660 PolarHBondContact O-N 2.94Å; R658-E660 VanDerWaalsContact C-N 3.31Å; E660-K662 VanDerWaalsContact C-N 3.3Å; E660-K662 PolarHBondContact O-N 3.13Å; E660-R663 WeakPolarHBondContact O-CB 3.27Å; E660-R663 PolarHBondContact O-N 3.07Å; E660-R663 VanDerWaalsContact O-N 3.1Å; E660-R663 IonicContact OE1-CZ 3.63Å; E660-R663 IonicContact OE1-NE 2.78Å; E660-R663 PolarHBondContact OE1-NE 3.49Å; E660-R663 IonicContact OE1-NH2 3.55Å; E660-R663 PolarHBondContact OE1-NH2 2.83Å; E660-R663 IonicContact OE2-CZ 3.76Å; E660-R663 IonicContact OE2-NE 2.84Å; E660-R663 PolarHBondContact OE2-NE 3.36Å; E660-R663 IonicContact OE2-NH2 3.76Å; E660-R663 PolarHBondContact OE2-NH2 2.62Å; E660-Q664 HydrophobicContact CG-CG 4.47Å; E660-Q664 WeakPolarHBondContact O-CG 3.44Å; E660-Q664 PolarHBondContact O-N 2.91Å; E660-Q664 WeakPolarHBondContact OE1-CG 3.15Å; E660-Q664 PolarHBondContact OE1-NE2 2.86Å
661A84.2Confident85.2Confident0 Ų057 Ų570%029%0.286CS..Hα-helixtrans-60.3-39.4175.400000112.4G657 R658 G665 N666 L669 L673G657-A661 VanDerWaalsContact O-CB 3.22Å; G657-A661 WeakPolarHBondContact O-CB 3.46Å; G657-A661 PolarHBondContact O-N 3.49Å; R658-A661 PolarHBondContact O-N 3.07Å; A661-G665 PolarHBondContact O-N 2.91Å; A661-N666 HydrophobicContact CB-CB 4.37Å; A661-N666 WeakPolarHBondContact O-CA 3.32Å; A661-N666 PolarHBondContact O-N 3.34Å; A661-L669 HydrophobicContact CB-CB 3.87Å; A661-L669 HydrophobicContact CB-CD2 3.72Å; A661-L669 HydrophobicContact CB-CG 3.63Å; A661-L673 HydrophobicContact CB-CD1 4.34Å
662K88.1Confident84.5Confident93 Ų9357 Ų5740%0.40429%0.286SS..Hα-helixtrans-63.8-43.7172.9-75.5177.9174-175.10111.4R658 D659 E660 Q664 G665R658-K662 WeakPolarHBondContact O-CG 3.44Å; R658-K662 PolarHBondContact O-N 2.91Å; D659-K662 PolarHBondContact O-N 3.42Å; E660-K662 VanDerWaalsContact C-N 3.3Å; E660-K662 PolarHBondContact O-N 3.13Å; K662-Q664 VanDerWaalsContact C-N 3.32Å; K662-Q664 PolarHBondContact O-N 3.11Å; K662-G665 PolarHBondContact O-N 3.32Å; K662-G665 VanDerWaalsContact O-N 3.09Å
663R87.5Confident84.2Confident182 Ų18255.9 Ų55.969%0.68728%0.279SS*.Hα-helixtrans-61.6-39.7178.9-167.9-173.571.581.6-2112.1D659 E660 G665D659-R663 WeakPolarHBondContact O-CB 3.3Å; D659-R663 PolarHBondContact O-N 3.3Å; E660-R663 WeakPolarHBondContact O-CB 3.27Å; E660-R663 PolarHBondContact O-N 3.07Å; E660-R663 VanDerWaalsContact O-N 3.1Å; E660-R663 IonicContact OE1-CZ 3.63Å; E660-R663 IonicContact OE1-NE 2.78Å; E660-R663 PolarHBondContact OE1-NE 3.49Å; E660-R663 IonicContact OE1-NH2 3.55Å; E660-R663 PolarHBondContact OE1-NH2 2.83Å; E660-R663 IonicContact OE2-CZ 3.76Å; E660-R663 IonicContact OE2-NE 2.84Å; E660-R663 PolarHBondContact OE2-NE 3.36Å; E660-R663 IonicContact OE2-NH2 3.76Å; E660-R663 PolarHBondContact OE2-NH2 2.62Å; R663-G665 VanDerWaalsContact C-N 3.26Å; R663-G665 PolarHBondContact O-N 3.39Å
664Q83.6Confident84.1Confident119 Ų11955.5 Ų55.556%0.55627%0.273SS*.THydrogen-bonded Turntrans-79.1-3.5176.4-65.1178.1-1.600113.6E660 K662 N666E660-Q664 HydrophobicContact CG-CG 4.47Å; E660-Q664 WeakPolarHBondContact O-CG 3.44Å; E660-Q664 PolarHBondContact O-N 2.91Å; E660-Q664 WeakPolarHBondContact OE1-CG 3.15Å; E660-Q664 PolarHBondContact OE1-NE2 2.86Å; K662-Q664 VanDerWaalsContact C-N 3.32Å; K662-Q664 PolarHBondContact O-N 3.11Å; Q664-N666 PolarHBondContact O-N 2.85Å
665G83.6Confident83.6Confident52 Ų5257 Ų5754%0.53628%0.281SS..THydrogen-bonded Turntrans70.210.7-174.100000114.5A661 K662 R663 K667A661-G665 PolarHBondContact O-N 2.91Å; K662-G665 PolarHBondContact O-N 3.32Å; K662-G665 VanDerWaalsContact O-N 3.09Å; R663-G665 VanDerWaalsContact C-N 3.26Å; R663-G665 PolarHBondContact O-N 3.39Å; G665-K667 VanDerWaalsContact C-N 3.26Å; G665-K667 PolarHBondContact O-N 3.5Å
666N77.7Confident83.4Confident42 Ų4257.2 Ų57.223%0.22528%0.282CS..  trans-75.476.1176.9-169.2-22.9000110.5A661 Q664 P668 L669 S670A661-N666 HydrophobicContact CB-CB 4.37Å; A661-N666 WeakPolarHBondContact O-CA 3.32Å; A661-N666 PolarHBondContact O-N 3.34Å; Q664-N666 PolarHBondContact O-N 2.85Å; N666-P668 WeakPolarHBondContact OD1-CD 3.39Å; N666-L669 HydrophobicContact CB-CB 4.23Å; N666-L669 VanDerWaalsContact CG-CB 3.44Å; N666-L669 PolarHBondContact O-N 3.16Å; N666-L669 VanDerWaalsContact OD1-CB 3.28Å; N666-L669 WeakPolarHBondContact OD1-CB 3.48Å; N666-L669 PolarHBondContact OD1-N 2.79Å; N666-S670 PolarHBondContact O-N 3.13Å
667K81Confident83.2Confident172 Ų17252.1 Ų52.175%0.74826%0.259SS*.Hα-helixtrans-55.4-43.4178.7-63.5178-176.6173.70112.4G665 S670 Q671G665-K667 VanDerWaalsContact C-N 3.26Å; G665-K667 PolarHBondContact O-N 3.5Å; K667-S670 PolarHBondContact O-N 3.18Å; K667-Q671 WeakPolarHBondContact O-CB 3.31Å; K667-Q671 PolarHBondContact O-N 3.37Å
668P76.7Confident82.8Confident19 Ų1954.2 Ų54.212%0.12326%0.264CS..Hα-helixtrans-56.2-50.4176.2-28.737.4000113.9F532 N666 Q671 A672F532-P668 HydrophobicContact CB-CB 3.86Å; F532-P668 HydrophobicContact CD2-CB 4.15Å; F532-P668 WeakPolarHBondContact CD2-O 3.28Å; N666-P668 WeakPolarHBondContact OD1-CD 3.39Å; P668-Q671 PolarHBondContact O-N 3.34Å; P668-A672 PolarHBondContact O-N 2.99Å
669L77.9Confident82.6Confident24 Ų2454.1 Ų54.113%0.12627%0.268CS..Hα-helixtrans-64-45.7179177.156.9000111.6E535 V539 A661 N666 Q671 A672 L673E535-L669 HydrophobicContact CB-CB 4.11Å; E535-L669 HydrophobicContact CB-CD1 3.93Å; E535-L669 HydrophobicContact CG-CB 3.95Å; E535-L669 HydrophobicContact CG-CD1 4.38Å; E535-L669 WeakPolarHBondContact OE2-CD1 3.42Å; V539-L669 HydrophobicContact CG2-CD1 3.73Å; A661-L669 HydrophobicContact CB-CB 3.87Å; A661-L669 HydrophobicContact CB-CD2 3.72Å; A661-L669 HydrophobicContact CB-CG 3.63Å; N666-L669 HydrophobicContact CB-CB 4.23Å; N666-L669 VanDerWaalsContact CG-CB 3.44Å; N666-L669 PolarHBondContact O-N 3.16Å; N666-L669 VanDerWaalsContact OD1-CB 3.28Å; N666-L669 WeakPolarHBondContact OD1-CB 3.48Å; N666-L669 PolarHBondContact OD1-N 2.79Å; L669-Q671 PolarHBondContact O-N 2.91Å; L669-A672 PolarHBondContact O-N 3.34Å; L669-L673 HydrophobicContact CD1-CD1 3.63Å; L669-L673 HydrophobicContact CD1-CD2 4.34Å; L669-L673 HydrophobicContact CD1-CG 3.8Å; L669-L673 HydrophobicContact CD2-CD1 4.48Å; L669-L673 HydrophobicContact CG-CD1 3.66Å; L669-L673 HydrophobicContact CG-CG 4.31Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 WeakPolarHBondContact O-CD1 3.26Å; L669-L673 VanDerWaalsContact O-CG 3.24Å; L669-L673 WeakPolarHBondContact O-CG 3.38Å; L669-L673 PolarHBondContact O-N 3.27Å
670S84Confident82.7Confident15 Ų1551.6 Ų51.611%0.10525%0.254CS..Hα-helixtrans-57-41.1177.1162.60000111.7N666 K667 K674N666-S670 PolarHBondContact O-N 3.13Å; K667-S670 PolarHBondContact O-N 3.18Å; S670-K674 PolarHBondContact O-N 3.48Å; S670-K674 VanDerWaalsContact O-N 3.16Å
671Q77.4Confident83Confident66 Ų6652.8 Ų52.831%0.30826%0.257SS..Hα-helixtrans-67.5-49.7176.5-172.563.58.300110.8F466 F532 K667 P668 L669 L673 K674 I675F466-Q671 HydrophobicContact CD2-CG 4.23Å; F466-Q671 HydrophobicContact CE2-CG 4.33Å; F532-Q671 HydrophobicContact CE2-CB 4.48Å; F532-Q671 HydrophobicContact CE2-CG 4.47Å; K667-Q671 WeakPolarHBondContact O-CB 3.31Å; K667-Q671 PolarHBondContact O-N 3.37Å; P668-Q671 PolarHBondContact O-N 3.34Å; L669-Q671 PolarHBondContact O-N 2.91Å; Q671-L673 VanDerWaalsContact C-N 3.32Å; Q671-L673 PolarHBondContact O-N 3.28Å; Q671-K674 WeakPolarHBondContact O-CB 3.27Å; Q671-K674 PolarHBondContact O-N 3.47Å; Q671-K674 VanDerWaalsContact O-N 3.1Å; Q671-I675 WeakPolarHBondContact O-CG1 3.33Å; Q671-I675 PolarHBondContact O-N 2.9Å; Q671-I675 VanDerWaalsContact O-N 3.12Å
672A80.1Confident83.2Confident0 Ų054.2 Ų54.20%027%0.271CS..Hα-helixtrans-54.7-45.9179.300000112.5F532 R536 P668 L669 K674 I675 I676F532-A672 HydrophobicContact CD2-CB 4.47Å; F532-A672 HydrophobicContact CE2-CB 3.97Å; R536-A672 HydrophobicContact CB-CB 3.96Å; R536-A672 HydrophobicContact CG-CB 4.3Å; P668-A672 PolarHBondContact O-N 2.99Å; L669-A672 PolarHBondContact O-N 3.34Å; A672-K674 PolarHBondContact O-N 3.05Å; A672-I675 WeakPolarHBondContact O-CB 3.5Å; A672-I675 PolarHBondContact O-N 2.93Å; A672-I676 WeakPolarHBondContact O-CD1 3.45Å; A672-I676 WeakPolarHBondContact O-CG1 3.42Å; A672-I676 PolarHBondContact O-N 2.97Å; A672-I676 VanDerWaalsContact O-N 3.17Å
673L86.7Confident83.4Confident6 Ų650 Ų503%0.03125%0.254CS..Hα-helixtrans-62.3-41.4177.3-66.7163.7000112.1V539 I654 G657 R658 A661 L669 Q671 I675 I676 M677V539-L673 HydrophobicContact CB-CD2 4.13Å; V539-L673 HydrophobicContact CG1-CD2 3.49Å; V539-L673 VanDerWaalsContact CG1-CD2 3.49Å; V539-L673 HydrophobicContact CG2-CD2 3.43Å; V539-L673 VanDerWaalsContact CG2-CD2 3.43Å; V539-L673 HydrophobicContact CG2-CG 4.06Å; I654-L673 HydrophobicContact CB-CD2 4.32Å; I654-L673 HydrophobicContact CG2-CB 4.02Å; I654-L673 HydrophobicContact CG2-CD2 3.61Å; I654-L673 HydrophobicContact CG2-CG 4.45Å; G657-L673 VanDerWaalsContact O-CD1 3.3Å; G657-L673 WeakPolarHBondContact O-CD1 3.41Å; R658-L673 HydrophobicContact CB-CB 3.85Å; R658-L673 HydrophobicContact CB-CD1 3.84Å; R658-L673 HydrophobicContact CB-CG 4.49Å; R658-L673 HydrophobicContact CG-CB 4.21Å; R658-L673 VanDerWaalsContact N-CD1 3.29Å; A661-L673 HydrophobicContact CB-CD1 4.34Å; L669-L673 HydrophobicContact CD1-CD1 3.63Å; L669-L673 HydrophobicContact CD1-CD2 4.34Å; L669-L673 HydrophobicContact CD1-CG 3.8Å; L669-L673 HydrophobicContact CD2-CD1 4.48Å; L669-L673 HydrophobicContact CG-CD1 3.66Å; L669-L673 HydrophobicContact CG-CG 4.31Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 WeakPolarHBondContact O-CD1 3.26Å; L669-L673 VanDerWaalsContact O-CG 3.24Å; L669-L673 WeakPolarHBondContact O-CG 3.38Å; L669-L673 PolarHBondContact O-N 3.27Å; Q671-L673 VanDerWaalsContact C-N 3.32Å; Q671-L673 PolarHBondContact O-N 3.28Å; L673-I675 VanDerWaalsContact C-N 3.33Å; L673-I675 PolarHBondContact O-N 3.18Å; L673-I676 PolarHBondContact O-N 2.83Å; L673-M677 WeakPolarHBondContact O-CG 3.41Å; L673-M677 PolarHBondContact O-N 3.11Å
674K85.1Confident83.8Confident80 Ų8041.4 Ų41.435%0.34822%0.221SC..Hα-helixtrans-57.4-44.5174.7-175.2-176179.7173.50111.7S670 Q671 A672 N678S670-K674 PolarHBondContact O-N 3.48Å; S670-K674 VanDerWaalsContact O-N 3.16Å; Q671-K674 WeakPolarHBondContact O-CB 3.27Å; Q671-K674 PolarHBondContact O-N 3.47Å; Q671-K674 VanDerWaalsContact O-N 3.1Å; A672-K674 PolarHBondContact O-N 3.05Å; K674-N678 PolarHBondContact O-N 3.18Å; K674-N678 VanDerWaalsContact O-N 3.14Å
675I79.1Confident84.2Confident43 Ų4337.6 Ų37.622%0.22121%0.214CC..Hα-helixtrans-60.7-48.9179.9-56.4175.6000110.6F466 F532 Q671 A672 L673 N678 A679F466-I675 HydrophobicContact CD2-CD1 3.94Å; F466-I675 HydrophobicContact CD2-CG1 4.39Å; F466-I675 HydrophobicContact CE2-CB 4.48Å; F466-I675 HydrophobicContact CE2-CD1 3.01Å; F466-I675 HydrophobicContact CE2-CG1 3.16Å; F466-I675 HydrophobicContact CZ-CB 4.33Å; F466-I675 HydrophobicContact CZ-CD1 3.38Å; F466-I675 HydrophobicContact CZ-CG1 3.37Å; F466-I675 HydrophobicContact CZ-CG2 4.11Å; F532-I675 HydrophobicContact CZ-CD1 4.14Å; Q671-I675 WeakPolarHBondContact O-CG1 3.33Å; Q671-I675 PolarHBondContact O-N 2.9Å; Q671-I675 VanDerWaalsContact O-N 3.12Å; A672-I675 WeakPolarHBondContact O-CB 3.5Å; A672-I675 PolarHBondContact O-N 2.93Å; L673-I675 VanDerWaalsContact C-N 3.33Å; L673-I675 PolarHBondContact O-N 3.18Å; I675-N678 PolarHBondContact O-N 3.24Å; I675-A679 WeakPolarHBondContact O-CB 3.43Å; I675-A679 PolarHBondContact O-N 2.65Å
676I84.7Confident84.6Confident11 Ų1137.7 Ų37.76%0.05620%0.204CC..Hα-helixtrans-65.9-44.5-172.6-68.4163.3000109.7V539 N540 I654 A672 L673 N678 A679 F680V539-I676 HydrophobicContact CB-CD1 3.74Å; V539-I676 HydrophobicContact CG1-CD1 3.35Å; V539-I676 HydrophobicContact CG1-CG2 4.48Å; N540-I676 HydrophobicContact CB-CD1 3.73Å; N540-I676 HydrophobicContact CB-CG1 4.35Å; I654-I676 HydrophobicContact CD1-CG2 3.86Å; A672-I676 WeakPolarHBondContact O-CD1 3.45Å; A672-I676 WeakPolarHBondContact O-CG1 3.42Å; A672-I676 PolarHBondContact O-N 2.97Å; A672-I676 VanDerWaalsContact O-N 3.17Å; L673-I676 PolarHBondContact O-N 2.83Å; I676-N678 VanDerWaalsContact C-N 3.34Å; I676-N678 PolarHBondContact O-N 3.32Å; I676-A679 PolarHBondContact O-N 3.16Å; I676-A679 VanDerWaalsContact O-N 3.11Å; I676-F680 HydrophobicContact CG2-CD1 4.29Å; I676-F680 HydrophobicContact CG2-CE1 3.61Å; I676-F680 HydrophobicContact CG2-CE2 3.96Å; I676-F680 HydrophobicContact CG2-CZ 3.4Å; I676-F680 VanDerWaalsContact CG2-CZ 3.4Å; I676-F680 WeakPolarHBondContact O-CD1 3.49Å; I676-F680 WeakPolarHBondContact O-CG 3.45Å; I676-F680 PolarHBondContact O-N 3.3Å; I676-F680 VanDerWaalsContact O-N 3.14Å
677M84.2Confident85.3Confident0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-57-47.1173.8-71.4-167.2-7200112.1P606 I654 W655 R658 L673 A679 F680P606-M677 HydrophobicContact CB-CB 4.38Å; P606-M677 HydrophobicContact CB-SD 4.37Å; P606-M677 HydrophobicContact CG-CB 3.75Å; I654-M677 HydrophobicContact CB-CG 4.08Å; I654-M677 HydrophobicContact CG2-CG 3.31Å; I654-M677 HydrophobicContact CG2-SD 4.01Å; W655-M677 HydrophobicContact CB-SD 4Å; W655-M677 HydrophobicContact CE3-SD 3.96Å; R658-M677 HydrophobicContact CB-CE 4.39Å; R658-M677 VanDerWaalsContact CD-CE 3.42Å; L673-M677 WeakPolarHBondContact O-CG 3.41Å; L673-M677 PolarHBondContact O-N 3.11Å; M677-A679 VanDerWaalsContact C-N 3.26Å; M677-A679 PolarHBondContact O-N 2.99Å; M677-F680 PolarHBondContact O-N 3.1Å
678N77.9Confident85.9Confident70 Ų7034 Ų3437%0.37420%0.204SC..Hα-helixtrans-66.1-29.7178.8-72.7-3000112.3K674 I675 I676 Y681K674-N678 PolarHBondContact O-N 3.18Å; K674-N678 VanDerWaalsContact O-N 3.14Å; I675-N678 PolarHBondContact O-N 3.24Å; I676-N678 VanDerWaalsContact C-N 3.34Å; I676-N678 PolarHBondContact O-N 3.32Å; N678-Y681 WeakPolarHBondContact O-CD1 3.07Å
679A85.7Confident86.7Confident21 Ų2133.1 Ų33.117%0.17420%0.198CC..Hα-helixtrans-75.1-27.2179.300000113.2I675 I676 M677 Y681 G682 V683I675-A679 WeakPolarHBondContact O-CB 3.43Å; I675-A679 PolarHBondContact O-N 2.65Å; I676-A679 PolarHBondContact O-N 3.16Å; I676-A679 VanDerWaalsContact O-N 3.11Å; M677-A679 VanDerWaalsContact C-N 3.26Å; M677-A679 PolarHBondContact O-N 2.99Å; A679-Y681 PolarHBondContact O-N 2.83Å; A679-G682 PolarHBondContact O-N 3.39Å; A679-V683 PolarHBondContact O-N 3.36Å; A679-V683 VanDerWaalsContact O-N 3.11Å
680F89.1Confident87.6Confident2 Ų233.5 Ų33.51%0.00920%0.198CC..Hα-helixtrans-69.6-28.2-175.2-75.22000114.2F554 L557 L647 I650 V651 I654 I676 M677 V683 L684F554-F680 HydrophobicContact CB-CD1 4.32Å; F554-F680 HydrophobicContact CB-CE1 4.14Å; F554-F680 HydrophobicContact CD2-CB 4.22Å; F554-F680 AromaticContact CD2-CD1 3.85Å; F554-F680 HydrophobicContact CD2-CD1 3.85Å; F554-F680 HydrophobicContact CD2-CD2 4.36Å; F554-F680 HydrophobicContact CD2-CE1 4.27Å; F554-F680 AromaticContact CD2-CG 3.9Å; F554-F680 HydrophobicContact CD2-CG 3.9Å; F554-F680 HydrophobicContact CE2-CB 4.47Å; F554-F680 HydrophobicContact CE2-CG 4.46Å; L557-F680 HydrophobicContact CD1-CE2 4.16Å; L557-F680 HydrophobicContact CD1-CZ 3.77Å; L647-F680 HydrophobicContact CD1-CD2 4.04Å; I650-F680 HydrophobicContact CG2-CD2 4.4Å; I650-F680 HydrophobicContact CG2-CE2 3.67Å; V651-F680 HydrophobicContact CG2-CD2 4.42Å; I654-F680 HydrophobicContact CD1-CD2 4.39Å; I654-F680 HydrophobicContact CD1-CE2 3.59Å; I654-F680 HydrophobicContact CD1-CZ 4.18Å; I676-F680 HydrophobicContact CG2-CD1 4.29Å; I676-F680 HydrophobicContact CG2-CE1 3.61Å; I676-F680 HydrophobicContact CG2-CE2 3.96Å; I676-F680 HydrophobicContact CG2-CZ 3.4Å; I676-F680 VanDerWaalsContact CG2-CZ 3.4Å; I676-F680 WeakPolarHBondContact O-CD1 3.49Å; I676-F680 WeakPolarHBondContact O-CG 3.45Å; I676-F680 PolarHBondContact O-N 3.3Å; I676-F680 VanDerWaalsContact O-N 3.14Å; M677-F680 PolarHBondContact O-N 3.1Å; F680-V683 VanDerWaalsContact O-CG2 3.26Å; F680-V683 WeakPolarHBondContact O-CG2 3.48Å; F680-L684 WeakPolarHBondContact O-CG 3.33Å
681Y88.4Confident88.3Confident92 Ų9233 Ų3336%0.36119%0.194SC..Hα-helixtrans-68.5-43.4167.8105.4-99.3000110.3Y605 N678 A679 V683 L684Y605-Y681 AromaticContact CD2-CD1 3.55Å; Y605-Y681 HydrophobicContact CD2-CD1 3.55Å; Y605-Y681 AromaticContact CD2-CD2 3.92Å; Y605-Y681 HydrophobicContact CD2-CD2 3.92Å; Y605-Y681 AromaticContact CD2-CE1 3.8Å; Y605-Y681 HydrophobicContact CD2-CE1 3.8Å; Y605-Y681 HydrophobicContact CD2-CE2 4.16Å; Y605-Y681 AromaticContact CD2-CG 3.62Å; Y605-Y681 HydrophobicContact CD2-CG 3.62Å; Y605-Y681 HydrophobicContact CE2-CD1 4.24Å; Y605-Y681 HydrophobicContact CE2-CD2 4.17Å; Y605-Y681 HydrophobicContact CE2-CE1 4.06Å; Y605-Y681 HydrophobicContact CE2-CE2 4.01Å; Y605-Y681 HydrophobicContact CE2-CG 4.3Å; Y605-Y681 AromaticContact CE2-CZ 3.94Å; N678-Y681 WeakPolarHBondContact O-CD1 3.07Å; A679-Y681 PolarHBondContact O-N 2.83Å; Y681-V683 VanDerWaalsContact C-N 3.3Å; Y681-V683 PolarHBondContact O-N 3.01Å; Y681-L684 PolarHBondContact O-N 3.03Å; Y681-L684 VanDerWaalsContact O-N 3.13Å
682G89Confident89.2Confident30 Ų3030.6 Ų30.631%0.30918%0.183SC..Hα-helixtrans-64.7-33.8-171.800000113.1A679 L684 G685A679-G682 PolarHBondContact O-N 3.39Å; G682-L684 VanDerWaalsContact C-N 3.29Å; G682-L684 PolarHBondContact O-N 2.94Å; G682-G685 PolarHBondContact O-N 3.08Å
683V92.4Very high90Very high5 Ų531.2 Ų31.23%0.0319%0.186CC..Hα-helixtrans-67-29.3177.3-610000112.7V551 F554 A679 F680 Y681 G685 T686 C689V551-V683 HydrophobicContact CG2-CB 4.36Å; V551-V683 HydrophobicContact CG2-CG1 3.9Å; F554-V683 HydrophobicContact CB-CG2 4.05Å; F554-V683 HydrophobicContact CD2-CG2 3.48Å; F554-V683 VanDerWaalsContact CD2-CG2 3.48Å; F554-V683 HydrophobicContact CE2-CG2 4.04Å; F554-V683 HydrophobicContact CG-CG2 3.8Å; A679-V683 PolarHBondContact O-N 3.36Å; A679-V683 VanDerWaalsContact O-N 3.11Å; F680-V683 VanDerWaalsContact O-CG2 3.26Å; F680-V683 WeakPolarHBondContact O-CG2 3.48Å; Y681-V683 VanDerWaalsContact C-N 3.3Å; Y681-V683 PolarHBondContact O-N 3.01Å; V683-G685 PolarHBondContact O-N 3.07Å; V683-T686 WeakPolarHBondContact O-CG2 3.1Å; V683-C689 HydrophobicContact CB-CB 4.31Å; V683-C689 WeakPolarHBondContact O-CB 3.44Å
684L94.7Very high90.5Very high0 Ų031.5 Ų31.50%019%0.188CC..Hα-helixtrans-74.3-18.6179.6-54.8179.5000112.5F554 P616 L647 F680 Y681 G682 F691 F692 D693 L696 I700F554-L684 HydrophobicContact CE1-CD2 4.5Å; F554-L684 HydrophobicContact CE2-CD2 4.05Å; F554-L684 HydrophobicContact CZ-CD2 3.83Å; P616-L684 HydrophobicContact CG-CD2 4.23Å; L647-L684 HydrophobicContact CD2-CD1 3.95Å; F680-L684 WeakPolarHBondContact O-CG 3.33Å; Y681-L684 PolarHBondContact O-N 3.03Å; Y681-L684 VanDerWaalsContact O-N 3.13Å; G682-L684 VanDerWaalsContact C-N 3.29Å; G682-L684 PolarHBondContact O-N 2.94Å; L684-F691 HydrophobicContact CD2-CB 4.14Å; L684-F692 WeakPolarHBondContact O-CD2 3.36Å; L684-D693 PolarHBondContact O-N 3.14Å; L684-L696 HydrophobicContact CB-CB 4.07Å; L684-L696 HydrophobicContact CD1-CB 4.09Å; L684-L696 HydrophobicContact CD1-CD1 4.46Å; L684-L696 HydrophobicContact CD2-CD1 4.15Å; L684-I700 HydrophobicContact CD1-CD1 4.35Å
685G92.5Very high91Very high40 Ų4031.5 Ų31.541%0.41219%0.186SC..THydrogen-bonded Turntrans-97.33.5179.100000115.2G682 V683G682-G685 PolarHBondContact O-N 3.08Å; V683-G685 PolarHBondContact O-N 3.07Å
686T92.5Very high91.9Very high54 Ų5429.6 Ų29.633%0.33118%0.176SC..  trans-118132.4178.9-177.70000112V683 A688 C689 F692V683-T686 WeakPolarHBondContact O-CG2 3.1Å; T686-A688 HydrophobicContact CG2-CB 4.41Å; T686-A688 PolarHBondContact O-N 3.1Å; T686-A688 PolarHBondContact OG1-N 3.25Å; T686-C689 HydrophobicContact CG2-CB 4.2Å; T686-C689 WeakPolarHBondContact O-CB 3.41Å; T686-C689 PolarHBondContact O-N 3.16Å; T686-F692 VanDerWaalsContact C-CD2 3.46Å; T686-F692 WeakPolarHBondContact O-CB 3.41Å
687T93.1Very high92.4Very high74 Ų7429.3 Ų29.345%0.45418%0.175SC..THydrogen-bonded Turntrans-63.7-10.5176.355.10000113.8P577 C689 F692P577-T687 HydrophobicContact CB-CG2 3.88Å; P577-T687 HydrophobicContact CG-CG2 3.87Å; T687-C689 PolarHBondContact O-N 3.16Å; T687-F692 HydrophobicContact CG2-CD1 3.97Å; T687-F692 HydrophobicContact CG2-CD2 4.41Å; T687-F692 HydrophobicContact CG2-CE1 3.77Å; T687-F692 HydrophobicContact CG2-CE2 4.22Å; T687-F692 HydrophobicContact CG2-CG 4.29Å; T687-F692 HydrophobicContact CG2-CZ 3.9Å
688A91.8Very high93Very high61 Ų6129.4 Ų29.450%0.50418%0.176SC..THydrogen-bonded Turntrans-75.8-9.5171.300000113.2L572 T686L572-A688 WeakPolarHBondContact CD2-O 3.45Å; T686-A688 HydrophobicContact CG2-CB 4.41Å; T686-A688 PolarHBondContact O-N 3.1Å; T686-A688 PolarHBondContact OG1-N 3.25Å
689C95.2Very high94Very high2 Ų226.2 Ų26.21%0.01416%0.159CC..SBendtrans-99.2137173-173.70000110.2V551 V683 T686 T687 F691 F692V551-C689 HydrophobicContact CG1-CB 4.28Å; V551-C689 HydrophobicContact CG2-CB 4.27Å; V683-C689 HydrophobicContact CB-CB 4.31Å; V683-C689 WeakPolarHBondContact O-CB 3.44Å; T686-C689 HydrophobicContact CG2-CB 4.2Å; T686-C689 WeakPolarHBondContact O-CB 3.41Å; T686-C689 PolarHBondContact O-N 3.16Å; T687-C689 PolarHBondContact O-N 3.16Å; C689-F691 PolarHBondContact O-N 3.11Å; C689-F692 WeakPolarHBondContact O-CB 3.16Å; C689-F692 PolarHBondContact O-N 2.76Å
690R96.5Very high94.5Very high31 Ų3125.2 Ų25.212%0.11715%0.151CC..THydrogen-bonded Turntrans-66.6-27.4177.574.2-162.5-49.1155.58.9113D288 P570 N571 L572 F692D288-R690 VanDerWaalsContact CG-NH1 3.26Å; D288-R690 IonicContact OD1-CZ 3.75Å; D288-R690 IonicContact OD1-NH1 2.96Å; D288-R690 PolarHBondContact OD1-NH1 2.99Å; D288-R690 IonicContact OD1-NH2 2.94Å; D288-R690 PolarHBondContact OD1-NH2 3.38Å; D288-R690 IonicContact OD2-NH1 2.64Å; D288-R690 PolarHBondContact OD2-NH1 3.25Å; P570-R690 WeakPolarHBondContact CG-O 3.43Å; P570-R690 WeakPolarHBondContact O-CB 3.23Å; P570-R690 VanDerWaalsContact O-CZ 3.28Å; P570-R690 PolarHBondContact O-NE 3.14Å; P570-R690 PolarHBondContact O-NH2 2.91Å; N571-R690 PolarHBondContact OD1-NH2 3.22Å; N571-R690 VanDerWaalsContact OD1-NH2 3.14Å; L572-R690 HydrophobicContact CD2-CB 4.18Å; R690-F692 PolarHBondContact O-N 3.28Å
691F97.3Very high94.7Very high6 Ų625.3 Ų25.33%0.02615%0.152CC..THydrogen-bonded Turntrans-88.718.9176.1-53.9-73.2000113.2F254 F554 Y558 F559 M562 A569 P570 P616 L684 C689 D693 L696F254-F691 AromaticContact CE2-CD1 3.9Å; F254-F691 HydrophobicContact CE2-CD1 3.9Å; F254-F691 HydrophobicContact CE2-CE1 4.24Å; F254-F691 AromaticContact CZ-CD1 3.88Å; F254-F691 HydrophobicContact CZ-CD1 3.88Å; F254-F691 AromaticContact CZ-CE1 3.75Å; F254-F691 HydrophobicContact CZ-CE1 3.75Å; F554-F691 AromaticContact CD1-CD2 3.56Å; F554-F691 HydrophobicContact CD1-CD2 3.56Å; F554-F691 AromaticContact CD1-CE2 3.84Å; F554-F691 HydrophobicContact CD1-CE2 3.84Å; F554-F691 HydrophobicContact CE1-CB 4.28Å; F554-F691 AromaticContact CE1-CD2 3.33Å; F554-F691 HydrophobicContact CE1-CD2 3.33Å; F554-F691 AromaticContact CE1-CE2 3.76Å; F554-F691 HydrophobicContact CE1-CE2 3.76Å; F554-F691 AromaticContact CE1-CG 3.89Å; F554-F691 HydrophobicContact CE1-CG 3.89Å; F554-F691 HydrophobicContact CZ-CD2 4.5Å; Y558-F691 HydrophobicContact CD1-CD1 4.41Å; Y558-F691 AromaticContact CD1-CE1 3.76Å; Y558-F691 HydrophobicContact CD1-CE1 3.76Å; Y558-F691 HydrophobicContact CD1-CE2 4.01Å; Y558-F691 AromaticContact CD1-CZ 3.53Å; Y558-F691 HydrophobicContact CD1-CZ 3.53Å; Y558-F691 HydrophobicContact CE1-CD1 4.24Å; Y558-F691 AromaticContact CE1-CE1 3.81Å; Y558-F691 HydrophobicContact CE1-CE1 3.81Å; Y558-F691 HydrophobicContact CE1-CZ 4.09Å; Y558-F691 HydrophobicContact CG-CZ 4.45Å; F559-F691 HydrophobicContact CD1-CE2 4.32Å; F559-F691 HydrophobicContact CD1-CZ 4.04Å; F559-F691 AromaticContact CE1-CE2 3.84Å; F559-F691 HydrophobicContact CE1-CE2 3.84Å; F559-F691 AromaticContact CE1-CZ 3.69Å; F559-F691 HydrophobicContact CE1-CZ 3.69Å; M562-F691 HydrophobicContact SD-CE1 3.73Å; M562-F691 HydrophobicContact SD-CZ 3.98Å; A569-F691 HydrophobicContact CB-CE1 4.07Å; A569-F691 HydrophobicContact CB-CZ 3.88Å; P570-F691 HydrophobicContact CG-CD1 4.12Å; P570-F691 HydrophobicContact CG-CE1 4.39Å; P616-F691 HydrophobicContact CB-CB 4.32Å; P616-F691 HydrophobicContact CB-CD1 3.95Å; P616-F691 HydrophobicContact CB-CG 4.46Å; P616-F691 HydrophobicContact CG-CB 3.94Å; P616-F691 HydrophobicContact CG-CD1 4.2Å; P616-F691 HydrophobicContact CG-CG 4.24Å; L684-F691 HydrophobicContact CD2-CB 4.14Å; C689-F691 PolarHBondContact O-N 3.11Å; F691-D693 PolarHBondContact O-N 3.44Å; F691-L696 WeakPolarHBondContact O-CD1 3.35Å
692F97Very high95.1Very high14 Ų1423.8 Ų23.86%0.06115%0.149CC..  trans-61125.8176.7168.9-105.6000110.7V575 L684 T686 T687 C689 R690 P694V575-F692 HydrophobicContact CB-CD1 4.09Å; V575-F692 HydrophobicContact CB-CE1 4.37Å; V575-F692 WeakPolarHBondContact CB-O 3.36Å; V575-F692 HydrophobicContact CG1-CD1 4.34Å; V575-F692 HydrophobicContact CG1-CE1 4.21Å; V575-F692 WeakPolarHBondContact CG2-O 3.14Å; L684-F692 WeakPolarHBondContact O-CD2 3.36Å; T686-F692 VanDerWaalsContact C-CD2 3.46Å; T686-F692 WeakPolarHBondContact O-CB 3.41Å; T687-F692 HydrophobicContact CG2-CD1 3.97Å; T687-F692 HydrophobicContact CG2-CD2 4.41Å; T687-F692 HydrophobicContact CG2-CE1 3.77Å; T687-F692 HydrophobicContact CG2-CE2 4.22Å; T687-F692 HydrophobicContact CG2-CG 4.29Å; T687-F692 HydrophobicContact CG2-CZ 3.9Å; C689-F692 WeakPolarHBondContact O-CB 3.16Å; C689-F692 PolarHBondContact O-N 2.76Å; R690-F692 PolarHBondContact O-N 3.28Å; F692-P694 HydrophobicContact CE1-CG 4.32Å; F692-P694 HydrophobicContact CZ-CG 3.92Å
693D97.2Very high95.5Very high13 Ų1323.7 Ų23.77%0.0714%0.139CC..  trans-153.2126.1167.4-164.4-50.3000109.7L619 L684 F691 R695 L696 A697L619-D693 HydrophobicContact CD2-CB 4.39Å; L684-D693 PolarHBondContact O-N 3.14Å; F691-D693 PolarHBondContact O-N 3.44Å; D693-R695 PolarHBondContact O-N 3.07Å; D693-R695 VanDerWaalsContact O-N 3.11Å; D693-R695 WeakPolarHBondContact OD1-CB 3.34Å; D693-R695 WeakPolarHBondContact OD1-CG 3.3Å; D693-R695 IonicContact OD1-CZ 3.22Å; D693-R695 PolarHBondContact OD1-N 3Å; D693-R695 IonicContact OD1-NE 2.69Å; D693-R695 PolarHBondContact OD1-NE 2.81Å; D693-R695 IonicContact OD1-NH2 2.86Å; D693-R695 IonicContact OD2-CZ 3.52Å; D693-R695 VanDerWaalsContact OD2-CZ 3.31Å; D693-R695 IonicContact OD2-NE 2.74Å; D693-R695 PolarHBondContact OD2-NE 3.33Å; D693-R695 VanDerWaalsContact OD2-NE 3.14Å; D693-R695 IonicContact OD2-NH2 3.87Å; D693-R695 PolarHBondContact OD2-NH2 2.93Å; D693-L696 HydrophobicContact CB-CB 4.4Å; D693-L696 HydrophobicContact CB-CD1 3.76Å; D693-L696 HydrophobicContact CB-CG 3.91Å; D693-L696 WeakPolarHBondContact O-CB 3.4Å; D693-L696 PolarHBondContact O-N 3.35Å; D693-A697 PolarHBondContact O-N 3.44Å
694P96.2Very high95.7Very high12 Ų1223.5 Ų23.58%0.07814%0.138CC..Hα-helixtrans-53.7-30.6175.4-24.633.1000113.3V575 H578 S580 L636 F692 L696 S698V575-P694 HydrophobicContact CG1-CG 4.48Å; H578-P694 HydrophobicContact CB-CB 3.95Å; H578-P694 HydrophobicContact CB-CG 3.53Å; S580-P694 PolarHBondContact OG-O 3.18Å; L636-P694 HydrophobicContact CD1-CB 4.41Å; F692-P694 HydrophobicContact CE1-CG 4.32Å; F692-P694 HydrophobicContact CZ-CG 3.92Å; P694-L696 VanDerWaalsContact C-N 3.34Å; P694-S698 WeakPolarHBondContact O-CB 3.31Å; P694-S698 PolarHBondContact O-N 2.86Å; P694-S698 PolarHBondContact O-OG 3.43Å
695R97.6Very high95.7Very high81 Ų8125.5 Ų25.531%0.30615%0.147SC..Hα-helixtrans-65.2-36.2176.6-67.6174.5-68.9-173.64.2112.2L619 L636 A638 D693 S699L619-R695 HydrophobicContact CD2-CB 4.17Å; L636-R695 HydrophobicContact CB-CG 4.03Å; A638-R695 HydrophobicContact CB-CB 3.99Å; A638-R695 HydrophobicContact CB-CG 4.41Å; D693-R695 PolarHBondContact O-N 3.07Å; D693-R695 VanDerWaalsContact O-N 3.11Å; D693-R695 WeakPolarHBondContact OD1-CB 3.34Å; D693-R695 WeakPolarHBondContact OD1-CG 3.3Å; D693-R695 IonicContact OD1-CZ 3.22Å; D693-R695 PolarHBondContact OD1-N 3Å; D693-R695 IonicContact OD1-NE 2.69Å; D693-R695 PolarHBondContact OD1-NE 2.81Å; D693-R695 IonicContact OD1-NH2 2.86Å; D693-R695 IonicContact OD2-CZ 3.52Å; D693-R695 VanDerWaalsContact OD2-CZ 3.31Å; D693-R695 IonicContact OD2-NE 2.74Å; D693-R695 PolarHBondContact OD2-NE 3.33Å; D693-R695 VanDerWaalsContact OD2-NE 3.14Å; D693-R695 IonicContact OD2-NH2 3.87Å; D693-R695 PolarHBondContact OD2-NH2 2.93Å; R695-S699 WeakPolarHBondContact O-CB 3.28Å; R695-S699 PolarHBondContact O-N 3.14Å; R695-S699 PolarHBondContact O-OG 2.69Å
696L97.7Very high95.9Very high3 Ų327.8 Ų27.82%0.01615%0.147CC..Hα-helixtrans-68.8-55.7177.6-66.9169000110.9I614 P616 L619 F640 L684 F691 D693 P694 S699 I700I614-L696 HydrophobicContact CG2-CD2 3.97Å; P616-L696 HydrophobicContact CB-CD1 4.34Å; P616-L696 HydrophobicContact CG-CD1 4.03Å; L619-L696 HydrophobicContact CB-CD2 4.33Å; L619-L696 HydrophobicContact CD2-CD2 4.09Å; L619-L696 HydrophobicContact CD2-CG 4.03Å; F640-L696 HydrophobicContact CE1-CD2 3.73Å; F640-L696 HydrophobicContact CZ-CD2 4.28Å; L684-L696 HydrophobicContact CB-CB 4.07Å; L684-L696 HydrophobicContact CD1-CB 4.09Å; L684-L696 HydrophobicContact CD1-CD1 4.46Å; L684-L696 HydrophobicContact CD2-CD1 4.15Å; F691-L696 WeakPolarHBondContact O-CD1 3.35Å; D693-L696 HydrophobicContact CB-CB 4.4Å; D693-L696 HydrophobicContact CB-CD1 3.76Å; D693-L696 HydrophobicContact CB-CG 3.91Å; D693-L696 WeakPolarHBondContact O-CB 3.4Å; D693-L696 PolarHBondContact O-N 3.35Å; P694-L696 VanDerWaalsContact C-N 3.34Å; L696-S699 PolarHBondContact O-N 3.35Å; L696-I700 WeakPolarHBondContact O-CG1 3.3Å; L696-I700 PolarHBondContact O-N 2.79Å
697A95.5Very high96.1Very high4 Ų425.2 Ų25.23%0.03313%0.131CC..Hα-helixtrans-64.4-44.2-178.100000111.8S580 D693 S699 I700 T701S580-A697 WeakPolarHBondContact OG-CB 3.47Å; D693-A697 PolarHBondContact O-N 3.44Å; A697-S699 PolarHBondContact O-N 3.49Å; A697-I700 PolarHBondContact O-N 2.68Å; A697-T701 WeakPolarHBondContact O-CG2 3.45Å; A697-T701 PolarHBondContact O-N 3.36Å; A697-T701 PolarHBondContact O-OG1 2.95Å; A697-T701 VanDerWaalsContact O-OG1 3.14Å
698S96.2Very high96.1Very high3 Ų321.7 Ų21.72%0.02111%0.11CC..Hα-helixtrans-67.6-35.6179.8-49.20000112.3S580 L636 P694 I700 T701 M702S580-S698 WeakPolarHBondContact CB-OG 3.11Å; S580-S698 PolarHBondContact OG-N 3.45Å; S580-S698 PolarHBondContact OG-OG 2.87Å; L636-S698 WeakPolarHBondContact CD1-OG 3.43Å; P694-S698 WeakPolarHBondContact O-CB 3.31Å; P694-S698 PolarHBondContact O-N 2.86Å; P694-S698 PolarHBondContact O-OG 3.43Å; S698-I700 PolarHBondContact O-N 3.21Å; S698-T701 WeakPolarHBondContact CA-OG1 3.26Å; S698-T701 PolarHBondContact O-N 3.11Å; S698-T701 PolarHBondContact O-OG1 2.86Å; S698-M702 WeakPolarHBondContact O-CB 3.48Å; S698-M702 VanDerWaalsContact O-CG 3.28Å; S698-M702 WeakPolarHBondContact O-CG 3.35Å; S698-M702 PolarHBondContact O-N 2.64Å
699S97.7Very high96.3Very high2 Ų225.5 Ų25.51%0.01411%0.111CC..Hα-helixtrans-63.6-30.4176.1-66.10000112.7F635 R695 L696 A697 R703F635-S699 PolarHBondContact N-OG 3.13Å; F635-S699 PolarHBondContact O-OG 3.38Å; R695-S699 WeakPolarHBondContact O-CB 3.28Å; R695-S699 PolarHBondContact O-N 3.14Å; R695-S699 PolarHBondContact O-OG 2.69Å; L696-S699 PolarHBondContact O-N 3.35Å; A697-S699 PolarHBondContact O-N 3.49Å; S699-R703 WeakPolarHBondContact O-CB 3.48Å
700I96.3Very high96.4Very high0 Ų028.4 Ų28.40%013%0.125CC..Hα-helixtrans-74.1-54.2173.5-62.5166.2000110.2Y605 I608 I609 I614 L684 L696 A697 S698 R703 G704Y605-I700 HydrophobicContact CD1-CG2 3.8Å; Y605-I700 HydrophobicContact CD2-CG2 4.12Å; Y605-I700 HydrophobicContact CE1-CG2 4.42Å; Y605-I700 HydrophobicContact CG-CG2 3.62Å; I608-I700 HydrophobicContact CG2-CB 4.42Å; I608-I700 HydrophobicContact CG2-CG1 4.47Å; I608-I700 HydrophobicContact CG2-CG2 4.27Å; I609-I700 HydrophobicContact CD1-CD1 3.96Å; I609-I700 HydrophobicContact CG1-CD1 3.77Å; I609-I700 HydrophobicContact CG1-CG1 4.12Å; I614-I700 HydrophobicContact CB-CG1 4.28Å; I614-I700 HydrophobicContact CG1-CG1 4.07Å; I614-I700 HydrophobicContact CG2-CD1 4.1Å; I614-I700 HydrophobicContact CG2-CG1 3.93Å; L684-I700 HydrophobicContact CD1-CD1 4.35Å; L696-I700 WeakPolarHBondContact O-CG1 3.3Å; L696-I700 PolarHBondContact O-N 2.79Å; A697-I700 PolarHBondContact O-N 2.68Å; S698-I700 PolarHBondContact O-N 3.21Å; I700-R703 PolarHBondContact O-N 3.2Å; I700-G704 PolarHBondContact O-N 3.45Å
701T94.7Very high96.5Very high4 Ų427 Ų273%0.02512%0.119CC..Hα-helixtrans-71.7-41.6-169.855.30000112.3P581 Y605 A697 S698 G704 H705P581-T701 VanDerWaalsContact O-CB 3.26Å; P581-T701 WeakPolarHBondContact O-CB 3.35Å; P581-T701 VanDerWaalsContact O-CG2 3.3Å; P581-T701 WeakPolarHBondContact O-CG2 3.16Å; P581-T701 PolarHBondContact O-OG1 3.16Å; P581-T701 VanDerWaalsContact O-OG1 3.11Å; Y605-T701 HydrophobicContact CE2-CG2 4.29Å; A697-T701 WeakPolarHBondContact O-CG2 3.45Å; A697-T701 PolarHBondContact O-N 3.36Å; A697-T701 PolarHBondContact O-OG1 2.95Å; A697-T701 VanDerWaalsContact O-OG1 3.14Å; S698-T701 WeakPolarHBondContact CA-OG1 3.26Å; S698-T701 PolarHBondContact O-N 3.11Å; S698-T701 PolarHBondContact O-OG1 2.86Å; T701-G704 WeakPolarHBondContact O-CA 3.46Å; T701-G704 PolarHBondContact O-N 2.87Å; T701-G704 VanDerWaalsContact O-N 3.15Å; T701-H705 PolarHBondContact O-CD2 2.86Å; T701-H705 PolarHBondContact O-N 3.22Å
702M96.7Very high96.4Very high61 Ų6129.9 Ų29.930%0.313%0.132SC..Hα-helixtrans-68.9-34.2177.5-63.8179.371.300111.8P581 F635 S698 G704 H705 Q706P581-M702 HydrophobicContact CG-CG 3.78Å; F635-M702 HydrophobicContact CB-CB 4.41Å; F635-M702 HydrophobicContact CB-CE 4.48Å; F635-M702 HydrophobicContact CB-SD 3.78Å; F635-M702 HydrophobicContact CD1-CB 3.68Å; F635-M702 HydrophobicContact CD1-CE 3.42Å; F635-M702 VanDerWaalsContact CD1-CE 3.42Å; F635-M702 HydrophobicContact CD1-CG 4.33Å; F635-M702 HydrophobicContact CD1-SD 3.75Å; F635-M702 HydrophobicContact CD2-CB 3.81Å; F635-M702 HydrophobicContact CE1-CB 3.73Å; F635-M702 HydrophobicContact CE1-CE 3.92Å; F635-M702 HydrophobicContact CE2-CB 3.87Å; F635-M702 HydrophobicContact CG-CB 3.7Å; F635-M702 HydrophobicContact CG-CE 4.21Å; F635-M702 HydrophobicContact CG-CG 4.39Å; F635-M702 HydrophobicContact CG-SD 3.91Å; F635-M702 HydrophobicContact CZ-CB 3.81Å; S698-M702 WeakPolarHBondContact O-CB 3.48Å; S698-M702 VanDerWaalsContact O-CG 3.28Å; S698-M702 WeakPolarHBondContact O-CG 3.35Å; S698-M702 PolarHBondContact O-N 2.64Å; M702-G704 VanDerWaalsContact C-N 3.31Å; M702-H705 WeakPolarHBondContact O-CB 3.47Å; M702-H705 PolarHBondContact O-N 3.43Å; M702-Q706 PolarHBondContact O-N 3.38Å
703R97.2Very high96.5Very high28 Ų2831.3 Ų31.311%0.10615%0.146CC..Hα-helixtrans-63.8-39.9169.7-17168.471.6-165.51.4111I608 F612 E633 F635 S699 I700 H705 Q706 I707I608-R703 HydrophobicContact CD1-CB 4.37Å; I608-R703 HydrophobicContact CD1-CG 4.43Å; I608-R703 HydrophobicContact CG1-CG 4.36Å; I608-R703 HydrophobicContact CG2-CB 4.07Å; I608-R703 HydrophobicContact CG2-CG 4.11Å; F612-R703 HydrophobicContact CD2-CG 3.75Å; F612-R703 HydrophobicContact CE1-CG 4.41Å; F612-R703 HydrophobicContact CE2-CG 3.5Å; F612-R703 HydrophobicContact CG-CG 4.3Å; F612-R703 HydrophobicContact CZ-CG 3.87Å; E633-R703 PolarHBondContact O-NH2 2.84Å; F635-R703 HydrophobicContact CE2-CB 3.93Å; S699-R703 WeakPolarHBondContact O-CB 3.48Å; I700-R703 PolarHBondContact O-N 3.2Å; R703-H705 VanDerWaalsContact C-N 3.29Å; R703-H705 PolarHBondContact O-N 3.42Å; R703-Q706 VanDerWaalsContact CD-OE1 3.29Å; R703-Q706 WeakPolarHBondContact O-CB 3.28Å; R703-Q706 PolarHBondContact O-N 3.5Å; R703-I707 HydrophobicContact CG-CD1 3.98Å; R703-I707 VanDerWaalsContact O-CG1 3.32Å; R703-I707 WeakPolarHBondContact O-CG1 3.46Å; R703-I707 PolarHBondContact O-N 2.88Å
704G95.5Very high96.5Very high1 Ų131.3 Ų31.31%0.0115%0.146CC..Hα-helixtrans-56.4-42171.100000112.5I700 T701 M702 Q706 I707 M708I700-G704 PolarHBondContact O-N 3.45Å; T701-G704 WeakPolarHBondContact O-CA 3.46Å; T701-G704 PolarHBondContact O-N 2.87Å; T701-G704 VanDerWaalsContact O-N 3.15Å; M702-G704 VanDerWaalsContact C-N 3.31Å; G704-Q706 PolarHBondContact O-N 2.92Å; G704-I707 PolarHBondContact O-N 3.1Å; G704-M708 WeakPolarHBondContact O-CG 3.25Å; G704-M708 PolarHBondContact O-N 3.42Å
705H95Very high96.6Very high42 Ų4230.8 Ų30.819%0.19414%0.143CC..Hα-helixtrans-62.3-44.1175.7-62.4-167.8000111.9G582 Y584 T701 M702 R703 M708 R709G582-H705 PolarHBondContact O-NE2 3.46Å; Y584-H705 WeakPolarHBondContact CB-CD2 3.21Å; Y584-H705 PolarHBondContact N-CD2 3.39Å; Y584-H705 PolarHBondContact N-NE2 3.11Å; T701-H705 PolarHBondContact O-CD2 2.86Å; T701-H705 PolarHBondContact O-N 3.22Å; M702-H705 WeakPolarHBondContact O-CB 3.47Å; M702-H705 PolarHBondContact O-N 3.43Å; R703-H705 VanDerWaalsContact C-N 3.29Å; R703-H705 PolarHBondContact O-N 3.42Å; H705-M708 PolarHBondContact O-N 3.32Å; H705-R709 WeakPolarHBondContact O-CG 3.38Å; H705-R709 PolarHBondContact O-N 2.57Å; H705-R709 VanDerWaalsContact O-N 3.08Å
706Q96.2Very high96.6Very high88 Ų8831 Ų3141%0.41115%0.147SC..Hα-helixtrans-61.4-46.1176.6-174.2-173.836.200111M702 R703 G704 M708 R709 Q710M702-Q706 PolarHBondContact O-N 3.38Å; R703-Q706 VanDerWaalsContact CD-OE1 3.29Å; R703-Q706 WeakPolarHBondContact O-CB 3.28Å; R703-Q706 PolarHBondContact O-N 3.5Å; G704-Q706 PolarHBondContact O-N 2.92Å; Q706-M708 VanDerWaalsContact C-N 3.34Å; Q706-M708 PolarHBondContact O-N 3Å; Q706-R709 PolarHBondContact O-N 2.9Å; Q706-Q710 WeakPolarHBondContact O-CB 3.29Å; Q706-Q710 PolarHBondContact O-N 3.47Å
707I96.9Very high96.6Very high0 Ų034.7 Ų34.70%018%0.178CC..Hα-helixtrans-59.2-46.6179.3-71.8163.5000110.7Y601 L604 I608 F612 R703 G704 Q710 T711 W758 L771Y601-I707 HydrophobicContact CD2-CG2 4.21Å; Y601-I707 HydrophobicContact CE1-CG2 4.35Å; Y601-I707 HydrophobicContact CE2-CG2 3.46Å; Y601-I707 VanDerWaalsContact CE2-CG2 3.46Å; L604-I707 HydrophobicContact CD1-CD1 4.09Å; L604-I707 HydrophobicContact CD1-CG2 4.17Å; I608-I707 HydrophobicContact CD1-CD1 3.72Å; I608-I707 HydrophobicContact CG1-CD1 3.61Å; F612-I707 HydrophobicContact CE2-CD1 4.38Å; R703-I707 HydrophobicContact CG-CD1 3.98Å; R703-I707 VanDerWaalsContact O-CG1 3.32Å; R703-I707 WeakPolarHBondContact O-CG1 3.46Å; R703-I707 PolarHBondContact O-N 2.88Å; G704-I707 PolarHBondContact O-N 3.1Å; I707-Q710 PolarHBondContact O-N 2.91Å; I707-T711 WeakPolarHBondContact O-CB 3.31Å; I707-T711 PolarHBondContact O-N 2.78Å; I707-T711 PolarHBondContact O-OG1 3.48Å; I707-W758 HydrophobicContact CB-CH2 4.38Å; I707-W758 HydrophobicContact CB-CZ2 4.02Å; I707-W758 HydrophobicContact CG1-CH2 3.75Å; I707-W758 HydrophobicContact CG1-CZ2 3.77Å; I707-W758 HydrophobicContact CG1-CZ3 4.44Å; I707-W758 HydrophobicContact CG2-CZ2 4Å; I707-L771 HydrophobicContact CD1-CD1 3.74Å; I707-L771 HydrophobicContact CD1-CD2 3.87Å; I707-L771 HydrophobicContact CD1-CG 4.49Å; I707-L771 HydrophobicContact CG1-CD1 4.06Å
708M94.5Very high96.7Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-62.6-44.8179.2-73.6-53.8-60.500112.9Y584 G704 H705 Q706 Q710 T711 K712 T727 S729 T730Y584-M708 HydrophobicContact CD1-CB 3.79Å; G704-M708 WeakPolarHBondContact O-CG 3.25Å; G704-M708 PolarHBondContact O-N 3.42Å; H705-M708 PolarHBondContact O-N 3.32Å; Q706-M708 VanDerWaalsContact C-N 3.34Å; Q706-M708 PolarHBondContact O-N 3Å; M708-Q710 VanDerWaalsContact C-N 3.35Å; M708-Q710 PolarHBondContact O-N 3.12Å; M708-T711 PolarHBondContact O-N 3.32Å; M708-K712 PolarHBondContact O-N 2.94Å; M708-T727 WeakPolarHBondContact CG-O 3.47Å; M708-S729 WeakPolarHBondContact CE-O 3.45Å; M708-T730 WeakPolarHBondContact CE-OG1 3.38Å
709R95.6Very high96.7Very high141 Ų14141.7 Ų41.753%0.53223%0.226SC..Hα-helixtrans-65.1-39.9177.9-70.6177.7-174.5-83.42.4112Y584 H705 Q706 K712 A713Y584-R709 HydrophobicContact CE1-CG 4Å; Y584-R709 PolarHBondContact OH-NH1 3.35Å; H705-R709 WeakPolarHBondContact O-CG 3.38Å; H705-R709 PolarHBondContact O-N 2.57Å; H705-R709 VanDerWaalsContact O-N 3.08Å; Q706-R709 PolarHBondContact O-N 2.9Å; R709-K712 WeakPolarHBondContact O-CB 3.46Å; R709-A713 PolarHBondContact O-N 3.27Å; R709-A713 VanDerWaalsContact O-N 3.12Å
710Q97.4Very high96.7Very high63 Ų6344.7 Ų44.729%0.29424%0.237SC..Hα-helixtrans-68.4-42178.1-173.960.643.300111.6Q706 I707 M708 K712 A713 L714 W757 W758Q706-Q710 WeakPolarHBondContact O-CB 3.29Å; Q706-Q710 PolarHBondContact O-N 3.47Å; I707-Q710 PolarHBondContact O-N 2.91Å; M708-Q710 VanDerWaalsContact C-N 3.35Å; M708-Q710 PolarHBondContact O-N 3.12Å; Q710-K712 VanDerWaalsContact C-N 3.33Å; Q710-K712 PolarHBondContact O-N 2.93Å; Q710-A713 PolarHBondContact O-N 3.16Å; Q710-L714 HydrophobicContact CG-CD1 4.33Å; Q710-L714 WeakPolarHBondContact O-CG 3.34Å; Q710-L714 PolarHBondContact O-N 2.91Å; Q710-W757 VanDerWaalsContact CD-CH2 3.48Å; Q710-W757 HydrophobicContact CG-CE3 4.24Å; Q710-W757 HydrophobicContact CG-CH2 3.47Å; Q710-W757 VanDerWaalsContact CG-CH2 3.47Å; Q710-W757 HydrophobicContact CG-CZ2 4.22Å; Q710-W757 HydrophobicContact CG-CZ3 3.48Å; Q710-W757 VanDerWaalsContact CG-CZ3 3.48Å; Q710-W758 HydrophobicContact CB-CH2 4.12Å; Q710-W758 HydrophobicContact CB-CZ2 3.87Å; Q710-W758 HydrophobicContact CG-CH2 4.09Å; Q710-W758 HydrophobicContact CG-CZ2 3.9Å
711T97.4Very high96.7Very high0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-60.2-44.8176.6-57.60000111Y601 I707 M708 A713 L714 I715 V754 L773Y601-T711 HydrophobicContact CE2-CG2 4.4Å; Y601-T711 PolarHBondContact OH-OG1 3.07Å; I707-T711 WeakPolarHBondContact O-CB 3.31Å; I707-T711 PolarHBondContact O-N 2.78Å; I707-T711 PolarHBondContact O-OG1 3.48Å; M708-T711 PolarHBondContact O-N 3.32Å; T711-A713 PolarHBondContact O-N 3.23Å; T711-L714 PolarHBondContact O-N 3.35Å; T711-I715 HydrophobicContact CG2-CD1 3.83Å; T711-I715 WeakPolarHBondContact O-CG1 3.37Å; T711-I715 PolarHBondContact O-N 3.11Å; T711-V754 HydrophobicContact CG2-CG1 4.28Å; T711-V754 HydrophobicContact CG2-CG2 4.49Å; T711-L773 HydrophobicContact CG2-CD2 4Å
712K97.1Very high96.8Very high67 Ų6747.6 Ų47.629%0.29125%0.253SS..Hα-helixtrans-53.2-53.7171.9179.9-169.8177.2171.90111.4M586 M708 R709 Q710 L714 I715 E716 V722M586-K712 HydrophobicContact CE-CD 3.62Å; M586-K712 HydrophobicContact CE-CG 4.2Å; M708-K712 PolarHBondContact O-N 2.94Å; R709-K712 WeakPolarHBondContact O-CB 3.46Å; Q710-K712 VanDerWaalsContact C-N 3.33Å; Q710-K712 PolarHBondContact O-N 2.93Å; K712-L714 VanDerWaalsContact C-N 3.31Å; K712-L714 PolarHBondContact O-N 3.38Å; K712-I715 PolarHBondContact O-N 2.91Å; K712-E716 WeakPolarHBondContact CE-OE1 3.46Å; K712-E716 WeakPolarHBondContact CE-OE2 3.33Å; K712-E716 HydrophobicContact CG-CG 4.4Å; K712-E716 IonicContact NZ-OE1 3.25Å; K712-E716 WeakPolarHBondContact O-CG 3.45Å; K712-E716 PolarHBondContact O-N 2.92Å; K712-V722 HydrophobicContact CG-CB 3.91Å; K712-V722 HydrophobicContact CG-CG1 4.15Å; K712-V722 HydrophobicContact CG-CG2 4.04Å
713A97.7Very high96.8Very high44 Ų4444.8 Ų44.836%0.36424%0.24SC..Hα-helixtrans-61.7-37.8-177.600000112.6R709 Q710 T711 A717R709-A713 PolarHBondContact O-N 3.27Å; R709-A713 VanDerWaalsContact O-N 3.12Å; Q710-A713 PolarHBondContact O-N 3.16Å; T711-A713 PolarHBondContact O-N 3.23Å; A713-A717 VanDerWaalsContact O-CB 3.27Å; A713-A717 WeakPolarHBondContact O-CB 3.04Å; A713-A717 PolarHBondContact O-N 2.95Å
714L98.1Very high96.7Very high14 Ų1443.5 Ų43.57%0.07324%0.235CC..Hα-helixtrans-64.3-42.4175.4-71.1170.4000111.9Q710 T711 K712 A717 Q718 V754 W757Q710-L714 HydrophobicContact CG-CD1 4.33Å; Q710-L714 WeakPolarHBondContact O-CG 3.34Å; Q710-L714 PolarHBondContact O-N 2.91Å; T711-L714 PolarHBondContact O-N 3.35Å; K712-L714 VanDerWaalsContact C-N 3.31Å; K712-L714 PolarHBondContact O-N 3.38Å; L714-A717 PolarHBondContact O-N 3.34Å; L714-Q718 WeakPolarHBondContact O-CG 3.03Å; L714-Q718 PolarHBondContact O-N 2.94Å; L714-V754 HydrophobicContact CB-CG2 4.17Å; L714-V754 HydrophobicContact CD1-CG1 4.29Å; L714-V754 HydrophobicContact CD1-CG2 4.2Å; L714-W757 HydrophobicContact CD1-CB 4.12Å; L714-W757 HydrophobicContact CD1-CD2 3.78Å; L714-W757 HydrophobicContact CD1-CE3 3.84Å; L714-W757 HydrophobicContact CD1-CG 3.9Å; L714-W757 HydrophobicContact CD2-CB 4.48Å; L714-W757 HydrophobicContact CD2-CD2 4.06Å; L714-W757 HydrophobicContact CD2-CG 3.83Å; L714-W757 HydrophobicContact CG-CD2 4.49Å
715I97.8Very high96.5Very high1 Ų143.4 Ų43.41%0.00523%0.234CC..Hα-helixtrans-68.5-43.8178.6-68162.2000111L599 T711 K712 A717 Q718 G719 Y720 V722 T730 V732L599-I715 HydrophobicContact CD1-CD1 3.94Å; T711-I715 HydrophobicContact CG2-CD1 3.83Å; T711-I715 WeakPolarHBondContact O-CG1 3.37Å; T711-I715 PolarHBondContact O-N 3.11Å; K712-I715 PolarHBondContact O-N 2.91Å; I715-A717 VanDerWaalsContact C-N 3.27Å; I715-A717 PolarHBondContact O-N 2.99Å; I715-Q718 WeakPolarHBondContact O-CA 3.27Å; I715-Q718 WeakPolarHBondContact O-CB 3.27Å; I715-Q718 PolarHBondContact O-N 3.41Å; I715-G719 PolarHBondContact O-N 3.42Å; I715-Y720 PolarHBondContact O-N 3.02Å; I715-V722 HydrophobicContact CB-CG2 3.98Å; I715-V722 HydrophobicContact CD1-CG2 4.46Å; I715-V722 HydrophobicContact CG2-CG2 3.7Å; I715-T730 HydrophobicContact CD1-CG2 3.75Å; I715-V732 HydrophobicContact CD1-CG2 3.96Å; I715-V732 HydrophobicContact CG2-CB 4.46Å; I715-V732 HydrophobicContact CG2-CG1 3.73Å; I715-V732 HydrophobicContact CG2-CG2 3.88Å
716E97.8Very high96.2Very high86 Ų8642.6 Ų42.640%0.40223%0.231SC..Hα-helixtrans-62.4-36175.6-72.1178.7154.800111.5K712 Q718 G719 Y720 V722K712-E716 WeakPolarHBondContact CE-OE1 3.46Å; K712-E716 WeakPolarHBondContact CE-OE2 3.33Å; K712-E716 HydrophobicContact CG-CG 4.4Å; K712-E716 IonicContact NZ-OE1 3.25Å; K712-E716 WeakPolarHBondContact O-CG 3.45Å; K712-E716 PolarHBondContact O-N 2.92Å; E716-Q718 PolarHBondContact O-N 3.14Å; E716-G719 PolarHBondContact O-N 2.96Å; E716-Y720 WeakPolarHBondContact CA-O 3.32Å; E716-V722 HydrophobicContact CG-CG2 4.29Å
717A97.7Very high95.6Very high80 Ų8040 Ų4066%0.66122%0.221SC*.Hα-helixtrans-66.3-23173.400000113.5A713 L714 I715 G719A713-A717 VanDerWaalsContact O-CB 3.27Å; A713-A717 WeakPolarHBondContact O-CB 3.04Å; A713-A717 PolarHBondContact O-N 2.95Å; L714-A717 PolarHBondContact O-N 3.34Å; I715-A717 VanDerWaalsContact C-N 3.27Å; I715-A717 PolarHBondContact O-N 2.99Å; A717-G719 VanDerWaalsContact C-N 3.26Å
718Q97.2Very high95.2Very high93 Ų9342.2 Ų42.244%0.43523%0.233SC..THydrogen-bonded Turntrans-83.31.2170.3-63.1-58.7-49.100113L714 I715 E716 Y720 L750 H753L714-Q718 WeakPolarHBondContact O-CG 3.03Å; L714-Q718 PolarHBondContact O-N 2.94Å; I715-Q718 WeakPolarHBondContact O-CA 3.27Å; I715-Q718 WeakPolarHBondContact O-CB 3.27Å; I715-Q718 PolarHBondContact O-N 3.41Å; E716-Q718 PolarHBondContact O-N 3.14Å; Q718-Y720 HydrophobicContact CB-CD2 4.01Å; Q718-Y720 HydrophobicContact CB-CE2 4.17Å; Q718-Y720 WeakPolarHBondContact O-CE2 3.12Å; Q718-L750 HydrophobicContact CB-CD2 3.86Å; Q718-L750 HydrophobicContact CG-CD2 4Å; Q718-H753 PolarHBondContact NE2-CE1 3.3Å; Q718-H753 PolarHBondContact NE2-NE2 2.88Å
719G96.1Very high95.1Very high61 Ų6142.5 Ų42.563%0.62924%0.235SC*.THydrogen-bonded Turntrans92.211.7174.300000115.5I715 E716 A717I715-G719 PolarHBondContact O-N 3.42Å; E716-G719 PolarHBondContact O-N 2.96Å; A717-G719 VanDerWaalsContact C-N 3.26Å
720Y97.7Very high95Very high64 Ų6435.8 Ų35.825%0.25121%0.21SC..  trans-109.4138.9179.8-55.5-81.8000112.2I715 E716 Q718 V732 L734 I746 L750I715-Y720 PolarHBondContact O-N 3.02Å; E716-Y720 WeakPolarHBondContact CA-O 3.32Å; Q718-Y720 HydrophobicContact CB-CD2 4.01Å; Q718-Y720 HydrophobicContact CB-CE2 4.17Å; Q718-Y720 WeakPolarHBondContact O-CE2 3.12Å; Y720-V732 VanDerWaalsContact CB-CG1 3.45Å; Y720-V732 HydrophobicContact CG-CG1 4.14Å; Y720-L734 HydrophobicContact CD1-CD2 3.47Å; Y720-L734 VanDerWaalsContact CD1-CD2 3.47Å; Y720-L734 HydrophobicContact CE1-CD2 3.68Å; Y720-L734 HydrophobicContact CG-CD2 4.33Å; Y720-I746 HydrophobicContact CE1-CD1 4.45Å; Y720-I746 HydrophobicContact CE1-CG2 3.93Å; Y720-I746 HydrophobicContact CE2-CG2 4.12Å; Y720-L750 HydrophobicContact CD2-CD1 4.17Å; Y720-L750 HydrophobicContact CD2-CD2 3.89Å; Y720-L750 HydrophobicContact CE2-CD1 4.44Å; Y720-L750 HydrophobicContact CE2-CD2 4Å; Y720-L750 HydrophobicContact CE2-CG 4.49Å
721D97.2Very high95Very high52 Ų5232.8 Ų32.828%0.27820%0.196SC..EExtended strand (participates in β ladder)trans-79.4136179.7-672.7000110.2W733 K735D721-W733 HydrophobicContact CB-CB 4.4Å; D721-W733 HydrophobicContact CB-CE3 3.93Å; D721-W733 PolarHBondContact O-N 2.87Å; D721-W733 WeakPolarHBondContact OD2-CZ3 3.28Å; D721-K735 IonicContact OD1-NZ 3.2Å; D721-K735 PolarHBondContact OD1-NZ 2.96Å; D721-K735 WeakPolarHBondContact OD2-CE 3.36Å; D721-K735 IonicContact OD2-NZ 2.66Å; D721-K735 PolarHBondContact OD2-NZ 3.16Å
722V97.3Very high95.1Very high14 Ų1432.8 Ų32.89%0.08520%0.196CC..EExtended strand (participates in β ladder)trans-101.3113.2172.4178.40000110M586 K712 I715 E716 T730 F731M586-V722 HydrophobicContact CE-CB 4.47Å; M586-V722 HydrophobicContact CE-CG1 3.57Å; M586-V722 HydrophobicContact SD-CG1 4.22Å; K712-V722 HydrophobicContact CG-CB 3.91Å; K712-V722 HydrophobicContact CG-CG1 4.15Å; K712-V722 HydrophobicContact CG-CG2 4.04Å; I715-V722 HydrophobicContact CB-CG2 3.98Å; I715-V722 HydrophobicContact CD1-CG2 4.46Å; I715-V722 HydrophobicContact CG2-CG2 3.7Å; E716-V722 HydrophobicContact CG-CG2 4.29Å; V722-T730 HydrophobicContact CB-CG2 4.3Å; V722-T730 HydrophobicContact CG1-CG2 3.36Å; V722-T730 HydrophobicContact CG2-CG2 3.91Å; V722-F731 CarbonylContact C-O 3.59Å; V722-F731 WeakPolarHBondContact CA-O 3.39Å
723I96.3Very high95.1Very high2 Ų231.9 Ų31.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-95.8-19.9-170.961167.1000114S588 R589 Y593 V596 F731 W733 F782S588-I723 CarbonylContact C-O 3.58Å; S588-I723 VanDerWaalsContact CA-O 3.24Å; S588-I723 WeakPolarHBondContact CA-O 3.49Å; R589-I723 HydrophobicContact CB-CB 4.1Å; R589-I723 HydrophobicContact CB-CG2 4.23Å; R589-I723 PolarHBondContact N-O 2.94Å; Y593-I723 HydrophobicContact CD1-CD1 4.3Å; Y593-I723 HydrophobicContact CD2-CD1 4.04Å; Y593-I723 HydrophobicContact CE1-CD1 4.17Å; Y593-I723 HydrophobicContact CE1-CG2 4Å; Y593-I723 HydrophobicContact CE2-CD1 3.9Å; Y593-I723 HydrophobicContact CG-CD1 4.24Å; V596-I723 HydrophobicContact CG1-CD1 4.03Å; V596-I723 HydrophobicContact CG2-CD1 3.87Å; I723-F731 HydrophobicContact CG1-CB 3.93Å; I723-F731 PolarHBondContact N-O 2.91Å; I723-W733 HydrophobicContact CG2-CB 3.67Å; I723-W733 HydrophobicContact CG2-CE3 4.31Å; I723-W733 HydrophobicContact CG2-CG 4.41Å; I723-F782 HydrophobicContact CD1-CD1 4Å; I723-F782 HydrophobicContact CD1-CE1 4.01Å
724Y95.4Very high95.1Very high0 Ų029.8 Ų29.80%017%0.173CC..EExtended strand (participates in β ladder)trans-162.2164.3178.7-179.3-122.6000110.9V585 D726 F731 M784 K795 K796 Y798V585-Y724 HydrophobicContact CG1-CE2 3.92Å; Y724-D726 HydrophobicContact CE1-CB 4.01Å; Y724-D726 PolarHBondContact OH-OD2 3.41Å; Y724-F731 AromaticContact CD1-CD2 3.58Å; Y724-F731 HydrophobicContact CD1-CD2 3.58Å; Y724-F731 AromaticContact CD1-CE2 3.66Å; Y724-F731 HydrophobicContact CD1-CE2 3.66Å; Y724-F731 HydrophobicContact CD1-CG 4.12Å; Y724-F731 HydrophobicContact CD1-CZ 4.24Å; Y724-F731 HydrophobicContact CE1-CD2 4.43Å; Y724-F731 HydrophobicContact CE1-CE2 4.12Å; Y724-F731 HydrophobicContact CG-CD2 4.28Å; Y724-F731 WeakPolarHBondContact O-CB 3.19Å; Y724-F731 PolarHBondContact O-N 3.05Å; Y724-M784 HydrophobicContact CD1-CE 3.65Å; Y724-M784 HydrophobicContact CD2-CE 4.27Å; Y724-M784 HydrophobicContact CE1-CE 4.39Å; Y724-M784 HydrophobicContact CG-CE 3.58Å; Y724-K795 HydrophobicContact CE2-CG 4.45Å; Y724-K796 WeakPolarHBondContact OH-CA 3.21Å; Y724-K796 PolarHBondContact OH-N 3.42Å; Y724-Y798 HydrophobicContact CD1-CD1 4.42Å; Y724-Y798 HydrophobicContact CD1-CE1 4.49Å; Y724-Y798 HydrophobicContact CE1-CD1 4.01Å; Y724-Y798 AromaticContact CE1-CE1 3.9Å; Y724-Y798 HydrophobicContact CE1-CE1 3.9Å
725G90.8Very high94.9Very high0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-166.5140.8169.300000111.7M586 S729M586-G725 PolarHBondContact N-O 3.33Å; G725-S729 CarbonylContact C-O 3.57Å; G725-S729 WeakPolarHBondContact CA-O 3.5Å
726D88.2Confident94.3Very high25 Ų2536.7 Ų36.713%0.13421%0.213CC..EExtended strand (participates in β ladder)trans-132.3108.9-178.9-170.9-7.6000110.3Y724 D728 S729 K796Y724-D726 HydrophobicContact CE1-CB 4.01Å; Y724-D726 PolarHBondContact OH-OD2 3.41Å; D726-D728 PolarHBondContact O-N 3.5Å; D726-S729 PolarHBondContact N-O 3.11Å; D726-S729 VanDerWaalsContact N-O 3.1Å; D726-S729 PolarHBondContact N-OG 2.57Å; D726-S729 PolarHBondContact O-N 2.83Å; D726-S729 VanDerWaalsContact O-N 3.14Å; D726-S729 PolarHBondContact O-OG 2.9Å; D726-K796 IonicContact OD1-NZ 3.92Å; D726-K796 PolarHBondContact OD1-NZ 3.05Å; D726-K796 WeakPolarHBondContact OD2-CG 3.42Å; D726-K796 IonicContact OD2-NZ 3.55Å; D726-K796 PolarHBondContact OD2-NZ 3.14Å
727T83.4Confident93.6Very high32 Ų3236.7 Ų36.720%0.19623%0.228CC..THydrogen-bonded Turntrans63.8-64.9174.4-51.70000114.6Y584 Y605 M708Y584-T727 WeakPolarHBondContact O-CA 3.29Å; Y584-T727 PolarHBondContact O-N 3.34Å; Y605-T727 HydrophobicContact CE1-CG2 4.3Å; M708-T727 WeakPolarHBondContact CG-O 3.47Å
728D88.3Confident93.5Very high47 Ų4734.8 Ų34.825%0.25121%0.206SC..THydrogen-bonded Turntrans-131.9-5.5-17447.6-5.4000113.9Y601 L604 D726Y601-D728 WeakPolarHBondContact CD2-O 3.3Å; Y601-D728 PolarHBondContact N-O 3.44Å; L604-D728 HydrophobicContact CB-CB 3.72Å; L604-D728 HydrophobicContact CD2-CB 3.62Å; L604-D728 HydrophobicContact CG-CB 4.29Å; D726-D728 PolarHBondContact O-N 3.5Å
729S91.8Very high93.3Very high7 Ų733.5 Ų33.55%0.04921%0.207CC..EExtended strand (participates in β ladder)trans-108.2142.5-177.857.60000113.3L599 D600 M708 G725 D726L599-S729 CarbonylContact O-C 3.56Å; L599-S729 WeakPolarHBondContact O-CA 3.18Å; D600-S729 WeakPolarHBondContact OD2-CB 3.41Å; M708-S729 WeakPolarHBondContact CE-O 3.45Å; G725-S729 CarbonylContact C-O 3.57Å; G725-S729 WeakPolarHBondContact CA-O 3.5Å; D726-S729 PolarHBondContact N-O 3.11Å; D726-S729 VanDerWaalsContact N-O 3.1Å; D726-S729 PolarHBondContact N-OG 2.57Å; D726-S729 PolarHBondContact O-N 2.83Å; D726-S729 VanDerWaalsContact O-N 3.14Å; D726-S729 PolarHBondContact O-OG 2.9Å
730T94.9Very high93.3Very high0 Ų033.8 Ų33.80%019%0.192CC..EExtended strand (participates in β ladder)trans-123.4127.6175.1-52.70000110.5L599 M708 I715 V722 V732L599-T730 PolarHBondContact N-O 2.88Å; L599-T730 PolarHBondContact O-N 2.76Å; M708-T730 WeakPolarHBondContact CE-OG1 3.38Å; I715-T730 HydrophobicContact CD1-CG2 3.75Å; V722-T730 HydrophobicContact CB-CG2 4.3Å; V722-T730 HydrophobicContact CG1-CG2 3.36Å; V722-T730 HydrophobicContact CG2-CG2 3.91Å; T730-V732 HydrophobicContact CG2-CG2 4.35Å
731F97.8Very high93.1Very high0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-101.4112.2-179.5-72.2-110.8000109.9V596 L597 V598 V722 I723 Y724 F779 F782 Y798V596-F731 HydrophobicContact CG1-CB 4.08Å; V596-F731 HydrophobicContact CG1-CD1 3.95Å; L597-F731 CarbonylContact O-C 3.51Å; L597-F731 VanDerWaalsContact O-CA 3.31Å; L597-F731 WeakPolarHBondContact O-CA 3.33Å; V598-F731 HydrophobicContact CG1-CE2 4.25Å; V598-F731 HydrophobicContact CG1-CZ 4.1Å; V598-F731 HydrophobicContact CG2-CD1 3.85Å; V598-F731 HydrophobicContact CG2-CE1 3.49Å; V598-F731 VanDerWaalsContact CG2-CE1 3.49Å; V598-F731 HydrophobicContact CG2-CZ 3.9Å; V722-F731 CarbonylContact C-O 3.59Å; V722-F731 WeakPolarHBondContact CA-O 3.39Å; I723-F731 HydrophobicContact CG1-CB 3.93Å; I723-F731 PolarHBondContact N-O 2.91Å; Y724-F731 AromaticContact CD1-CD2 3.58Å; Y724-F731 HydrophobicContact CD1-CD2 3.58Å; Y724-F731 AromaticContact CD1-CE2 3.66Å; Y724-F731 HydrophobicContact CD1-CE2 3.66Å; Y724-F731 HydrophobicContact CD1-CG 4.12Å; Y724-F731 HydrophobicContact CD1-CZ 4.24Å; Y724-F731 HydrophobicContact CE1-CD2 4.43Å; Y724-F731 HydrophobicContact CE1-CE2 4.12Å; Y724-F731 HydrophobicContact CG-CD2 4.28Å; Y724-F731 WeakPolarHBondContact O-CB 3.19Å; Y724-F731 PolarHBondContact O-N 3.05Å; F731-F779 HydrophobicContact CE1-CE2 4.37Å; F731-F782 HydrophobicContact CD1-CE1 4.14Å; F731-F782 AromaticContact CD1-CE2 3.9Å; F731-F782 HydrophobicContact CD1-CE2 3.9Å; F731-F782 AromaticContact CD1-CZ 3.52Å; F731-F782 HydrophobicContact CD1-CZ 3.52Å; F731-F782 AromaticContact CE1-CE2 3.65Å; F731-F782 HydrophobicContact CE1-CE2 3.65Å; F731-F782 AromaticContact CE1-CZ 3.56Å; F731-F782 HydrophobicContact CE1-CZ 3.56Å; F731-Y798 HydrophobicContact CE1-CD2 4.45Å; F731-Y798 HydrophobicContact CE1-CE2 4.1Å; F731-Y798 AromaticContact CZ-CE1 3.99Å; F731-Y798 HydrophobicContact CZ-CE1 3.99Å; F731-Y798 HydrophobicContact CZ-CE2 4.01Å; F731-Y798 AromaticContact CZ-CZ 3.61Å
732V98.1Very high93.1Very high0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-104.6118.8-173.3-171.50000109.5V596 L597 L599 I715 Y720 T730 L734 L750V596-V732 CarbonylContact C-O 3.59Å; V596-V732 WeakPolarHBondContact CA-O 3.23Å; L597-V732 HydrophobicContact CB-CB 4.25Å; L597-V732 PolarHBondContact N-O 3.11Å; L597-V732 PolarHBondContact O-N 3.1Å; L599-V732 HydrophobicContact CD1-CG2 3.92Å; L599-V732 HydrophobicContact CG-CG2 4.19Å; I715-V732 HydrophobicContact CD1-CG2 3.96Å; I715-V732 HydrophobicContact CG2-CB 4.46Å; I715-V732 HydrophobicContact CG2-CG1 3.73Å; I715-V732 HydrophobicContact CG2-CG2 3.88Å; Y720-V732 VanDerWaalsContact CB-CG1 3.45Å; Y720-V732 HydrophobicContact CG-CG1 4.14Å; T730-V732 HydrophobicContact CG2-CG2 4.35Å; V732-L734 HydrophobicContact CG1-CD2 4.25Å; V732-L750 HydrophobicContact CG1-CD1 4.22Å
733W98.1Very high93Very high47 Ų4739.5 Ų39.518%0.17822%0.218CC..EExtended strand (participates in β ladder)trans-84.5117176.6173.730.4000110.3Y593 D721 I723 K735Y593-W733 AromaticContact CD1-CD1 3.81Å; Y593-W733 AromaticContact CD1-CD2 3.84Å; Y593-W733 HydrophobicContact CD1-CD2 3.84Å; Y593-W733 AromaticContact CD1-CE2 3.83Å; Y593-W733 AromaticContact CD1-CG 3.84Å; Y593-W733 HydrophobicContact CD1-CG 3.84Å; Y593-W733 HydrophobicContact CD1-CZ2 4.46Å; Y593-W733 AromaticContact CD1-NE1 3.81Å; Y593-W733 AromaticContact CE1-CD2 3.87Å; Y593-W733 HydrophobicContact CE1-CD2 3.87Å; Y593-W733 HydrophobicContact CE1-CE3 4.09Å; Y593-W733 HydrophobicContact CE1-CG 4.16Å; D721-W733 HydrophobicContact CB-CB 4.4Å; D721-W733 HydrophobicContact CB-CE3 3.93Å; D721-W733 PolarHBondContact O-N 2.87Å; D721-W733 WeakPolarHBondContact OD2-CZ3 3.28Å; I723-W733 HydrophobicContact CG2-CB 3.67Å; I723-W733 HydrophobicContact CG2-CE3 4.31Å; I723-W733 HydrophobicContact CG2-CG 4.41Å; W733-K735 HydrophobicContact CD2-CG 3.99Å; W733-K735 HydrophobicContact CE3-CG 4.23Å; W733-K735 HydrophobicContact CH2-CD 4.39Å; W733-K735 HydrophobicContact CH2-CG 4Å; W733-K735 HydrophobicContact CZ2-CG 3.73Å; W733-K735 HydrophobicContact CZ3-CD 4.48Å; W733-K735 VanDerWaalsContact CZ3-CE 3.49Å; W733-K735 HydrophobicContact CZ3-CG 4.23Å
734L97.4Very high93Very high0 Ų040 Ų400%022%0.223CC..  trans-90.8112.2169.1-48.6-175.6000107.6S595 L597 Y720 V732 G736 H738 A743 I746S595-L734 PolarHBondContact O-N 2.84Å; L597-L734 HydrophobicContact CD1-CD1 3.93Å; L597-L734 HydrophobicContact CD1-CD2 4.04Å; L597-L734 HydrophobicContact CD1-CG 4.24Å; L597-L734 HydrophobicContact CD2-CD1 3.91Å; L597-L734 HydrophobicContact CG-CD1 3.79Å; L597-L734 HydrophobicContact CG-CD2 4.26Å; L597-L734 HydrophobicContact CG-CG 3.99Å; Y720-L734 HydrophobicContact CD1-CD2 3.47Å; Y720-L734 VanDerWaalsContact CD1-CD2 3.47Å; Y720-L734 HydrophobicContact CE1-CD2 3.68Å; Y720-L734 HydrophobicContact CG-CD2 4.33Å; V732-L734 HydrophobicContact CG1-CD2 4.25Å; L734-G736 PolarHBondContact O-N 3.03Å; L734-G736 VanDerWaalsContact O-O 3.09Å; L734-H738 VanDerWaalsContact CB-CE1 3.5Å; L734-H738 WeakPolarHBondContact CB-CE1 3.29Å; L734-H738 HydrophobicContact CD1-CB 4.4Å; L734-A743 HydrophobicContact CD1-CB 4.24Å; L734-I746 HydrophobicContact CD1-CD1 4.1Å; L734-I746 HydrophobicContact CD2-CG2 3.93Å
735K93.2Very high93.1Very high122 Ų12247.2 Ų47.253%0.5325%0.254SS..SBendtrans-67.4117.8-175.1-72.2174.1177.6154.70110.4D721 W733 H738D721-K735 IonicContact OD1-NZ 3.2Å; D721-K735 PolarHBondContact OD1-NZ 2.96Å; D721-K735 WeakPolarHBondContact OD2-CE 3.36Å; D721-K735 IonicContact OD2-NZ 2.66Å; D721-K735 PolarHBondContact OD2-NZ 3.16Å; W733-K735 HydrophobicContact CD2-CG 3.99Å; W733-K735 HydrophobicContact CE3-CG 4.23Å; W733-K735 HydrophobicContact CH2-CD 4.39Å; W733-K735 HydrophobicContact CH2-CG 4Å; W733-K735 HydrophobicContact CZ2-CG 3.73Å; W733-K735 HydrophobicContact CZ3-CD 4.48Å; W733-K735 VanDerWaalsContact CZ3-CE 3.49Å; W733-K735 HydrophobicContact CZ3-CG 4.23Å; K735-H738 PolarHBondContact O-CE1 3.38Å
736G86.3Confident93.5Very high38 Ų3848.2 Ų48.239%0.39226%0.26SS..SBendtrans92.8167.6-174.900000112.9L734 H738L734-G736 PolarHBondContact O-N 3.03Å; L734-G736 VanDerWaalsContact O-O 3.09Å; G736-H738 PolarHBondContact O-N 3.28Å; G736-H738 PolarHBondContact O-ND1 3.09Å
737A83.1Confident93.9Very high87 Ų8747 Ų4772%0.71925%0.253SS*.  trans-74122.8178.100000110.5
738H95.1Very high94.6Very high39 Ų3952.1 Ų52.118%0.18127%0.269CS..  trans-109.2145.3174.4-65.966.7000109.7S595 L734 K735 G736 E742 A743S595-H738 PolarHBondContact OG-N 3.32Å; S595-H738 VanDerWaalsContact OG-N 3.1Å; L734-H738 VanDerWaalsContact CB-CE1 3.5Å; L734-H738 WeakPolarHBondContact CB-CE1 3.29Å; L734-H738 HydrophobicContact CD1-CB 4.4Å; K735-H738 PolarHBondContact O-CE1 3.38Å; G736-H738 PolarHBondContact O-N 3.28Å; G736-H738 PolarHBondContact O-ND1 3.09Å; H738-E742 IonicContact CD2-OE1 2.86Å; H738-E742 IonicContact CD2-OE2 2.8Å; H738-A743 HydrophobicContact CB-CB 4.32Å
739S93.7Very high95Very high67 Ų6752.4 Ų52.447%0.46928%0.278SS..  trans-66.8157.7170.968.10000111E741 E742 A743S739-E741 PolarHBondContact O-N 3.41Å; S739-E742 PolarHBondContact O-N 2.71Å; S739-E742 VanDerWaalsContact OG-CB 3.27Å; S739-E742 WeakPolarHBondContact OG-CB 3.11Å; S739-E742 PolarHBondContact OG-N 3.37Å; S739-A743 VanDerWaalsContact O-CB 3.26Å; S739-A743 WeakPolarHBondContact O-CB 3.21Å; S739-A743 PolarHBondContact O-N 3.48Å
740E94.9Very high95.3Very high66 Ų6652.4 Ų52.431%0.30828%0.277SS..Hα-helixtrans-56.5-39.4176-67.6-55.4135.600112.4A744 H778 Q803E740-A744 WeakPolarHBondContact O-CB 3.38Å; E740-A744 PolarHBondContact O-N 3.3Å; E740-H778 IonicContact OE1-CE1 3.77Å; E740-H778 PolarHBondContact OE1-CE1 2.79Å; E740-H778 IonicContact OE1-ND1 3.61Å; E740-H778 PolarHBondContact OE1-ND1 2.8Å; E740-H778 IonicContact OE2-CE1 3.17Å; E740-H778 IonicContact OE2-CG 3.79Å; E740-H778 IonicContact OE2-ND1 2.77Å; E740-H778 PolarHBondContact OE2-ND1 3.49Å; E740-Q803 HydrophobicContact CG-CB 4.22Å; E740-Q803 HydrophobicContact CG-CG 4.38Å; E740-Q803 WeakPolarHBondContact OE1-CB 3.35Å
741E94.6Very high95.5Very high159 Ų15953.2 Ų53.274%0.74328%0.282SS*.Hα-helixtrans-65.3-45.3178.9-173.1-179.2169.900111.8S739 K745S739-E741 PolarHBondContact O-N 3.41Å; E741-K745 WeakPolarHBondContact O-CB 2.94Å; E741-K745 PolarHBondContact O-N 3.02Å
742E96Very high95.5Very high91 Ų9159.6 Ų59.643%0.42531%0.312SS..Hα-helixtrans-67.5-47.4179.3-175.1178.1-165.900111.7H738 S739 A744 K745 I746H738-E742 IonicContact CD2-OE1 2.86Å; H738-E742 IonicContact CD2-OE2 2.8Å; S739-E742 PolarHBondContact O-N 2.71Å; S739-E742 VanDerWaalsContact OG-CB 3.27Å; S739-E742 WeakPolarHBondContact OG-CB 3.11Å; S739-E742 PolarHBondContact OG-N 3.37Å; E742-A744 VanDerWaalsContact C-N 3.3Å; E742-A744 PolarHBondContact O-N 3.42Å; E742-K745 WeakPolarHBondContact O-CB 3.43Å; E742-K745 PolarHBondContact O-N 2.94Å; E742-K745 VanDerWaalsContact O-N 3.14Å; E742-I746 HydrophobicContact CG-CD1 4.13Å; E742-I746 WeakPolarHBondContact O-CG1 3.08Å; E742-I746 PolarHBondContact O-N 2.71Å
743A96.7Very high95.5Very high0 Ų062.6 Ų62.60%033%0.326CS..Hα-helixtrans-57.1-44.5176.300000111.3L597 L734 H738 S739 I746 G747 H778L597-A743 HydrophobicContact CD2-CB 3.97Å; L734-A743 HydrophobicContact CD1-CB 4.24Å; H738-A743 HydrophobicContact CB-CB 4.32Å; S739-A743 VanDerWaalsContact O-CB 3.26Å; S739-A743 WeakPolarHBondContact O-CB 3.21Å; S739-A743 PolarHBondContact O-N 3.48Å; A743-I746 PolarHBondContact O-N 2.87Å; A743-G747 PolarHBondContact O-N 3.07Å; A743-H778 HydrophobicContact CB-CB 4.22Å
744A96.2Very high95.5Very high13 Ų1360.4 Ų60.411%0.10732%0.317CS..Hα-helixtrans-68.4-35.9177.200000112.7E740 E742 R748 Y775E740-A744 WeakPolarHBondContact O-CB 3.38Å; E740-A744 PolarHBondContact O-N 3.3Å; E742-A744 VanDerWaalsContact C-N 3.3Å; E742-A744 PolarHBondContact O-N 3.42Å; A744-R748 WeakPolarHBondContact O-CB 3.33Å; A744-R748 WeakPolarHBondContact O-CG 3.43Å; A744-R748 PolarHBondContact O-N 3.07Å; A744-Y775 HydrophobicContact CB-CE1 3.94Å
745K97.5Very high95.5Very high151 Ų15162.1 Ų62.166%0.65733%0.327SS*.Hα-helixtrans-63.3-46.2174.2-177-179.1178.4-178.80111.4E741 E742 R748 A749E741-K745 WeakPolarHBondContact O-CB 2.94Å; E741-K745 PolarHBondContact O-N 3.02Å; E742-K745 WeakPolarHBondContact O-CB 3.43Å; E742-K745 PolarHBondContact O-N 2.94Å; E742-K745 VanDerWaalsContact O-N 3.14Å; K745-R748 PolarHBondContact O-N 2.83Å; K745-A749 WeakPolarHBondContact O-CB 3.34Å; K745-A749 PolarHBondContact O-N 2.89Å
746I97.5Very high95.7Very high22 Ų2258.9 Ų58.911%0.11332%0.322CS..Hα-helixtrans-62.3-48.2176.5-66.7166.6000110.1L597 Y720 L734 E742 A743 R748 A749 L750L597-I746 HydrophobicContact CD1-CB 4.48Å; L597-I746 HydrophobicContact CD1-CG2 4.12Å; Y720-I746 HydrophobicContact CE1-CD1 4.45Å; Y720-I746 HydrophobicContact CE1-CG2 3.93Å; Y720-I746 HydrophobicContact CE2-CG2 4.12Å; L734-I746 HydrophobicContact CD1-CD1 4.1Å; L734-I746 HydrophobicContact CD2-CG2 3.93Å; E742-I746 HydrophobicContact CG-CD1 4.13Å; E742-I746 WeakPolarHBondContact O-CG1 3.08Å; E742-I746 PolarHBondContact O-N 2.71Å; A743-I746 PolarHBondContact O-N 2.87Å; I746-R748 PolarHBondContact O-N 2.83Å; I746-A749 PolarHBondContact O-N 3.08Å; I746-A749 VanDerWaalsContact O-N 3.16Å; I746-L750 HydrophobicContact CG2-CD1 3.95Å; I746-L750 HydrophobicContact CG2-CG 4.3Å; I746-L750 WeakPolarHBondContact O-CG 3.45Å; I746-L750 PolarHBondContact O-N 2.96Å
747G97.3Very high96.3Very high0 Ų060.3 Ų60.30%032%0.316CS..Hα-helixtrans-55.3-48.7177.800000112.7A743 A749 L750 V751A743-G747 PolarHBondContact O-N 3.07Å; G747-A749 PolarHBondContact O-N 3.05Å; G747-L750 PolarHBondContact O-N 3.34Å; G747-V751 WeakPolarHBondContact O-CG1 3.44Å; G747-V751 PolarHBondContact O-N 3.09Å; G747-V751 VanDerWaalsContact O-N 3.14Å
748R97.7Very high97Very high139 Ų13956.6 Ų56.653%0.52528%0.284SS..Hα-helixtrans-63.2-37.8177-74.6-172.4-67.3-93.4-0.8113.3A744 K745 I746 V751 Q752A744-R748 WeakPolarHBondContact O-CB 3.33Å; A744-R748 WeakPolarHBondContact O-CG 3.43Å; A744-R748 PolarHBondContact O-N 3.07Å; K745-R748 PolarHBondContact O-N 2.83Å; I746-R748 PolarHBondContact O-N 2.83Å; R748-V751 VanDerWaalsContact O-CG2 3.24Å; R748-V751 WeakPolarHBondContact O-CG2 3.48Å; R748-Q752 WeakPolarHBondContact O-CB 3.3Å; R748-Q752 PolarHBondContact O-N 3Å; R748-Q752 VanDerWaalsContact O-N 3.15Å
749A98Very high97.2Very high53 Ų5356.9 Ų56.944%0.43829%0.293SS..Hα-helixtrans-67.5-42.9177.400000112K745 I746 G747 Q752 H753K745-A749 WeakPolarHBondContact O-CB 3.34Å; K745-A749 PolarHBondContact O-N 2.89Å; I746-A749 PolarHBondContact O-N 3.08Å; I746-A749 VanDerWaalsContact O-N 3.16Å; G747-A749 PolarHBondContact O-N 3.05Å; A749-Q752 PolarHBondContact O-N 3.36Å; A749-H753 WeakPolarHBondContact O-CB 3.45Å; A749-H753 PolarHBondContact O-N 2.8Å
750L98.1Very high97.4Very high6 Ų658.5 Ų58.53%0.03129%0.293CS..Hα-helixtrans-61.7-46.3177.9-72.3175.1000111.9L599 Q718 Y720 V732 I746 G747 Q752 H753 V754L599-L750 HydrophobicContact CD1-CB 4.03Å; L599-L750 HydrophobicContact CD1-CD1 4.24Å; Q718-L750 HydrophobicContact CB-CD2 3.86Å; Q718-L750 HydrophobicContact CG-CD2 4Å; Y720-L750 HydrophobicContact CD2-CD1 4.17Å; Y720-L750 HydrophobicContact CD2-CD2 3.89Å; Y720-L750 HydrophobicContact CE2-CD1 4.44Å; Y720-L750 HydrophobicContact CE2-CD2 4Å; Y720-L750 HydrophobicContact CE2-CG 4.49Å; V732-L750 HydrophobicContact CG1-CD1 4.22Å; I746-L750 HydrophobicContact CG2-CD1 3.95Å; I746-L750 HydrophobicContact CG2-CG 4.3Å; I746-L750 WeakPolarHBondContact O-CG 3.45Å; I746-L750 PolarHBondContact O-N 2.96Å; G747-L750 PolarHBondContact O-N 3.34Å; L750-Q752 PolarHBondContact O-N 3.33Å; L750-H753 PolarHBondContact O-N 2.92Å; L750-V754 WeakPolarHBondContact O-CG2 3.37Å; L750-V754 PolarHBondContact O-N 3.38Å
751V97.9Very high97.5Very high17 Ų1756.8 Ų56.810%0.10329%0.287CS..Hα-helixtrans-66.4-39.2179.3-58.40000112.3L599 G747 R748 H753 V754 N755 L773L599-V751 HydrophobicContact CB-CG1 4.49Å; L599-V751 HydrophobicContact CD1-CG1 4.28Å; L599-V751 HydrophobicContact CD2-CG1 3.92Å; L599-V751 HydrophobicContact CG-CG1 4.46Å; G747-V751 WeakPolarHBondContact O-CG1 3.44Å; G747-V751 PolarHBondContact O-N 3.09Å; G747-V751 VanDerWaalsContact O-N 3.14Å; R748-V751 VanDerWaalsContact O-CG2 3.24Å; R748-V751 WeakPolarHBondContact O-CG2 3.48Å; V751-H753 VanDerWaalsContact C-N 3.33Å; V751-H753 PolarHBondContact O-N 3.18Å; V751-V754 PolarHBondContact O-N 3.39Å; V751-N755 VanDerWaalsContact O-CB 3.29Å; V751-N755 WeakPolarHBondContact O-CB 3.45Å; V751-N755 PolarHBondContact O-N 2.78Å; V751-N755 PolarHBondContact O-ND2 2.89Å; V751-L773 HydrophobicContact CB-CB 4.42Å; V751-L773 HydrophobicContact CB-CG 4.43Å; V751-L773 WeakPolarHBondContact CB-O 3.15Å; V751-L773 HydrophobicContact CG1-CB 4.34Å; V751-L773 HydrophobicContact CG1-CD2 3.98Å; V751-L773 HydrophobicContact CG1-CG 3.86Å
752Q98Very high97.7Very high135 Ų13549.2 Ų49.263%0.63125%0.251SS*.Hα-helixtrans-62.4-42176.1-174.8-113.7-13.200111.2R748 A749 L750 A756R748-Q752 WeakPolarHBondContact O-CB 3.3Å; R748-Q752 PolarHBondContact O-N 3Å; R748-Q752 VanDerWaalsContact O-N 3.15Å; A749-Q752 PolarHBondContact O-N 3.36Å; L750-Q752 PolarHBondContact O-N 3.33Å; Q752-A756 VanDerWaalsContact O-CB 3.29Å; Q752-A756 WeakPolarHBondContact O-CB 3.34Å; Q752-A756 PolarHBondContact O-N 3.38Å; Q752-A756 VanDerWaalsContact O-N 3.07Å
753H98.2Very high97.7Very high62 Ų6251.9 Ų51.929%0.28726%0.264SS..Hα-helixtrans-61.3-50.4174.6177.266.5000112.3Q718 A749 L750 V751 A756 W757Q718-H753 PolarHBondContact NE2-CE1 3.3Å; Q718-H753 PolarHBondContact NE2-NE2 2.88Å; A749-H753 WeakPolarHBondContact O-CB 3.45Å; A749-H753 PolarHBondContact O-N 2.8Å; L750-H753 PolarHBondContact O-N 2.92Å; V751-H753 VanDerWaalsContact C-N 3.33Å; V751-H753 PolarHBondContact O-N 3.18Å; H753-A756 PolarHBondContact O-N 2.77Å; H753-W757 PolarHBondContact O-N 3.01Å
754V97.9Very high97.7Very high1 Ų159 Ų591%0.00630%0.295CS..Hα-helixtrans-64.1-44.7-178.6171.80000111.6Y601 T711 L714 L750 V751 A756 W757 W758 L773Y601-V754 WeakPolarHBondContact OH-CG1 3.45Å; T711-V754 HydrophobicContact CG2-CG1 4.28Å; T711-V754 HydrophobicContact CG2-CG2 4.49Å; L714-V754 HydrophobicContact CB-CG2 4.17Å; L714-V754 HydrophobicContact CD1-CG1 4.29Å; L714-V754 HydrophobicContact CD1-CG2 4.2Å; L750-V754 WeakPolarHBondContact O-CG2 3.37Å; L750-V754 PolarHBondContact O-N 3.38Å; V751-V754 PolarHBondContact O-N 3.39Å; V754-A756 PolarHBondContact O-N 3.09Å; V754-W757 PolarHBondContact O-N 2.99Å; V754-W758 VanDerWaalsContact O-CD1 3.24Å; V754-W758 PolarHBondContact O-N 3.23Å; V754-L773 HydrophobicContact CB-CD2 4.03Å; V754-L773 HydrophobicContact CG1-CB 4.48Å; V754-L773 HydrophobicContact CG1-CD2 3.94Å; V754-L773 HydrophobicContact CG2-CD2 4.19Å
755N98Very high97.6Very high37 Ų3762.2 Ų62.220%0.19831%0.308CS..Hα-helixtrans-65-40.6-179.5-67.9-18.1000111.5V751 W758 A759 L773V751-N755 VanDerWaalsContact O-CB 3.29Å; V751-N755 WeakPolarHBondContact O-CB 3.45Å; V751-N755 PolarHBondContact O-N 2.78Å; V751-N755 PolarHBondContact O-ND2 2.89Å; N755-W758 PolarHBondContact O-N 3.44Å; N755-A759 PolarHBondContact O-N 2.67Å; N755-L773 PolarHBondContact ND2-N 2.66Å; N755-L773 PolarHBondContact ND2-O 2.81Å; N755-L773 WeakPolarHBondContact OD1-CB 3.2Å; N755-L773 PolarHBondContact OD1-N 3.13Å
756A98.1Very high97.6Very high53 Ų5363.5 Ų63.544%0.43831%0.308SS..Hα-helixtrans-63.4-41.8174.700000112.1Q752 H753 V754 W758 A759 E760Q752-A756 VanDerWaalsContact O-CB 3.29Å; Q752-A756 WeakPolarHBondContact O-CB 3.34Å; Q752-A756 PolarHBondContact O-N 3.38Å; Q752-A756 VanDerWaalsContact O-N 3.07Å; H753-A756 PolarHBondContact O-N 2.77Å; V754-A756 PolarHBondContact O-N 3.09Å; A756-W758 VanDerWaalsContact C-N 3.34Å; A756-W758 PolarHBondContact O-N 2.85Å; A756-A759 PolarHBondContact O-N 3.14Å; A756-E760 PolarHBondContact O-N 3.47Å
757W98.5Very high97.6Very high68 Ų6863 Ų6326%0.25831%0.306SS..Hα-helixtrans-61.5-41.6177-174.292.9000112.2Q710 L714 H753 V754 E760 T761Q710-W757 VanDerWaalsContact CD-CH2 3.48Å; Q710-W757 HydrophobicContact CG-CE3 4.24Å; Q710-W757 HydrophobicContact CG-CH2 3.47Å; Q710-W757 VanDerWaalsContact CG-CH2 3.47Å; Q710-W757 HydrophobicContact CG-CZ2 4.22Å; Q710-W757 HydrophobicContact CG-CZ3 3.48Å; Q710-W757 VanDerWaalsContact CG-CZ3 3.48Å; L714-W757 HydrophobicContact CD1-CB 4.12Å; L714-W757 HydrophobicContact CD1-CD2 3.78Å; L714-W757 HydrophobicContact CD1-CE3 3.84Å; L714-W757 HydrophobicContact CD1-CG 3.9Å; L714-W757 HydrophobicContact CD2-CB 4.48Å; L714-W757 HydrophobicContact CD2-CD2 4.06Å; L714-W757 HydrophobicContact CD2-CG 3.83Å; L714-W757 HydrophobicContact CG-CD2 4.49Å; H753-W757 PolarHBondContact O-N 3.01Å; V754-W757 PolarHBondContact O-N 2.99Å; W757-E760 PolarHBondContact O-N 2.97Å; W757-T761 HydrophobicContact CH2-CG2 3.92Å; W757-T761 HydrophobicContact CZ2-CG2 4.39Å; W757-T761 WeakPolarHBondContact CZ2-OG1 3.32Å; W757-T761 HydrophobicContact CZ3-CG2 4.19Å; W757-T761 VanDerWaalsContact O-CB 3.29Å; W757-T761 WeakPolarHBondContact O-CB 3.27Å; W757-T761 PolarHBondContact O-N 3.39Å; W757-T761 PolarHBondContact O-OG1 3.26Å
758W98.2Very high97.5Very high10 Ų1069 Ų694%0.03834%0.342CS..Hα-helixtrans-64.7-43.9175-80.1117000112.2Y601 I707 Q710 V754 N755 A756 E760 T761 L762 L771Y601-W758 PolarHBondContact OH-NE1 3.02Å; I707-W758 HydrophobicContact CB-CH2 4.38Å; I707-W758 HydrophobicContact CB-CZ2 4.02Å; I707-W758 HydrophobicContact CG1-CH2 3.75Å; I707-W758 HydrophobicContact CG1-CZ2 3.77Å; I707-W758 HydrophobicContact CG1-CZ3 4.44Å; I707-W758 HydrophobicContact CG2-CZ2 4Å; Q710-W758 HydrophobicContact CB-CH2 4.12Å; Q710-W758 HydrophobicContact CB-CZ2 3.87Å; Q710-W758 HydrophobicContact CG-CH2 4.09Å; Q710-W758 HydrophobicContact CG-CZ2 3.9Å; V754-W758 VanDerWaalsContact O-CD1 3.24Å; V754-W758 PolarHBondContact O-N 3.23Å; N755-W758 PolarHBondContact O-N 3.44Å; A756-W758 VanDerWaalsContact C-N 3.34Å; A756-W758 PolarHBondContact O-N 2.85Å; W758-E760 PolarHBondContact O-N 3.15Å; W758-T761 PolarHBondContact O-N 3.4Å; W758-L762 HydrophobicContact CB-CD1 4.48Å; W758-L762 HydrophobicContact CE3-CD1 4.07Å; W758-L762 HydrophobicContact CE3-CG 4.27Å; W758-L762 VanDerWaalsContact O-CB 3.27Å; W758-L762 WeakPolarHBondContact O-CB 3.25Å; W758-L762 WeakPolarHBondContact O-CD1 3.43Å; W758-L762 VanDerWaalsContact O-CG 3.31Å; W758-L762 WeakPolarHBondContact O-CG 3.37Å; W758-L762 PolarHBondContact O-N 2.95Å; W758-L771 HydrophobicContact CB-CB 4.49Å; W758-L771 HydrophobicContact CB-CD1 4.39Å; W758-L771 HydrophobicContact CD2-CD1 3.57Å; W758-L771 HydrophobicContact CE3-CD1 3.7Å; W758-L771 HydrophobicContact CG-CB 4.39Å; W758-L771 HydrophobicContact CG-CD1 3.88Å; W758-L771 HydrophobicContact CZ3-CD1 4.25Å
759A97.9Very high97.5Very high45 Ų4563.9 Ų63.937%0.37233%0.328SS..Hα-helixtrans-57.6-48.9175.900000111.5N755 A756 Q763N755-A759 PolarHBondContact O-N 2.67Å; A756-A759 PolarHBondContact O-N 3.14Å; A759-Q763 WeakPolarHBondContact O-CB 3.47Å; A759-Q763 PolarHBondContact O-N 3.12Å
760E98Very high97.4Very high101 Ų10162.2 Ų62.247%0.47231%0.314SS..Hα-helixtrans-62.6-47.1178.9-170.7-164.3150.300112A756 W757 W758 K764A756-E760 PolarHBondContact O-N 3.47Å; W757-E760 PolarHBondContact O-N 2.97Å; W758-E760 PolarHBondContact O-N 3.15Å; E760-K764 WeakPolarHBondContact O-CG 2.92Å; E760-K764 PolarHBondContact O-N 3.27Å; E760-K764 WeakPolarHBondContact OE1-CE 3.47Å; E760-K764 IonicContact OE1-NZ 2.88Å; E760-K764 PolarHBondContact OE1-NZ 2.85Å
761T97.7Very high97.4Very high29 Ų2962.3 Ų62.318%0.17832%0.315CS..Hα-helixtrans-66.4-41-176.1-60.60000111.8W757 W758W757-T761 HydrophobicContact CH2-CG2 3.92Å; W757-T761 HydrophobicContact CZ2-CG2 4.39Å; W757-T761 WeakPolarHBondContact CZ2-OG1 3.32Å; W757-T761 HydrophobicContact CZ3-CG2 4.19Å; W757-T761 VanDerWaalsContact O-CB 3.29Å; W757-T761 WeakPolarHBondContact O-CB 3.27Å; W757-T761 PolarHBondContact O-N 3.39Å; W757-T761 PolarHBondContact O-OG1 3.26Å; W758-T761 PolarHBondContact O-N 3.4Å
762L97.6Very high97.2Very high1 Ų165 Ų651%0.00533%0.326CS..Hα-helixtrans-78-31.7-179-68.5167.3000112.3T611 F612 W758 K764 Q765 R766 L767 L771T611-L762 HydrophobicContact CG2-CD1 3.46Å; T611-L762 VanDerWaalsContact CG2-CD1 3.46Å; T611-L762 HydrophobicContact CG2-CD2 4.21Å; T611-L762 HydrophobicContact CG2-CG 4.39Å; F612-L762 HydrophobicContact CE1-CD2 3.52Å; F612-L762 HydrophobicContact CZ-CD1 4.38Å; F612-L762 HydrophobicContact CZ-CD2 3.63Å; W758-L762 HydrophobicContact CB-CD1 4.48Å; W758-L762 HydrophobicContact CE3-CD1 4.07Å; W758-L762 HydrophobicContact CE3-CG 4.27Å; W758-L762 VanDerWaalsContact O-CB 3.27Å; W758-L762 WeakPolarHBondContact O-CB 3.25Å; W758-L762 WeakPolarHBondContact O-CD1 3.43Å; W758-L762 VanDerWaalsContact O-CG 3.31Å; W758-L762 WeakPolarHBondContact O-CG 3.37Å; W758-L762 PolarHBondContact O-N 2.95Å; L762-K764 VanDerWaalsContact C-N 3.26Å; L762-K764 PolarHBondContact O-N 3.14Å; L762-Q765 CarbonylContact O-C 3.57Å; L762-Q765 WeakPolarHBondContact O-CA 3.4Å; L762-Q765 WeakPolarHBondContact O-CB 3.47Å; L762-Q765 PolarHBondContact O-N 2.77Å; L762-R766 PolarHBondContact O-N 3.13Å; L762-L767 CarbonylContact C-O 3.58Å; L762-L767 VanDerWaalsContact C-O 3.23Å; L762-L767 HydrophobicContact CB-CB 4.24Å; L762-L767 HydrophobicContact CD2-CD1 4.25Å; L762-L767 PolarHBondContact O-N 3.22Å; L762-L767 VanDerWaalsContact O-O 3.11Å; L762-L771 HydrophobicContact CD1-CD1 4.05Å; L762-L771 HydrophobicContact CD1-CG 4.45Å
763Q97.3Very high97.2Very high147 Ų14758.7 Ų58.769%0.68730%0.297SS*.Hα-helixtrans-59.6-38.7171.9-174.5178.65.900111.4A759 Q765 R766 L767A759-Q763 WeakPolarHBondContact O-CB 3.47Å; A759-Q763 PolarHBondContact O-N 3.12Å; Q763-Q765 PolarHBondContact O-N 2.99Å; Q763-R766 WeakPolarHBondContact O-CA 3.43Å; Q763-R766 PolarHBondContact O-N 2.95Å; Q763-L767 PolarHBondContact N-O 3.04Å
764K96.8Very high97Very high148 Ų14859.3 Ų59.364%0.64330%0.3SS*.Hα-helixtrans-61.7-26.5172.9-68170.1-172.5167.50112.9E760 L762 R766E760-K764 WeakPolarHBondContact O-CG 2.92Å; E760-K764 PolarHBondContact O-N 3.27Å; E760-K764 WeakPolarHBondContact OE1-CE 3.47Å; E760-K764 IonicContact OE1-NZ 2.88Å; E760-K764 PolarHBondContact OE1-NZ 2.85Å; L762-K764 VanDerWaalsContact C-N 3.26Å; L762-K764 PolarHBondContact O-N 3.14Å; K764-R766 VanDerWaalsContact C-N 3.3Å
765Q94.4Very high96.9Very high82 Ų8262.3 Ų62.338%0.38331%0.311SS..THydrogen-bonded Turntrans-89.88.2174.8-60.4177.433.700113R642 L762 Q763 L767R642-Q765 PolarHBondContact NH1-O 2.78Å; R642-Q765 PolarHBondContact NH2-O 2.87Å; L762-Q765 CarbonylContact O-C 3.57Å; L762-Q765 WeakPolarHBondContact O-CA 3.4Å; L762-Q765 WeakPolarHBondContact O-CB 3.47Å; L762-Q765 PolarHBondContact O-N 2.77Å; Q763-Q765 PolarHBondContact O-N 2.99Å; Q765-L767 HydrophobicContact CB-CD1 4.41Å; Q765-L767 HydrophobicContact CB-CG 4.43Å; Q765-L767 PolarHBondContact O-N 3.41Å
766R96.4Very high96.7Very high178 Ų17866.2 Ų66.267%0.67233%0.329SS*.THydrogen-bonded Turntrans56.438.1-173.5-56.7172.861.8-166.8-2.6112.1R642 L762 Q763 K764R642-R766 PolarHBondContact NH1-O 3.2Å; L762-R766 PolarHBondContact O-N 3.13Å; Q763-R766 WeakPolarHBondContact O-CA 3.43Å; Q763-R766 PolarHBondContact O-N 2.95Å; K764-R766 VanDerWaalsContact C-N 3.3Å
767L97Very high96.5Very high11 Ų1164.8 Ų64.86%0.05831%0.314CS..  trans-118.8151.6174.7-66.2176.2000110F612 L613 T632 L762 Q763 Q765F612-L767 HydrophobicContact CD1-CD1 3.87Å; F612-L767 HydrophobicContact CE1-CD1 4.18Å; L613-L767 HydrophobicContact CD1-CD2 4.32Å; T632-L767 HydrophobicContact CG2-CD2 4.39Å; L762-L767 CarbonylContact C-O 3.58Å; L762-L767 VanDerWaalsContact C-O 3.23Å; L762-L767 HydrophobicContact CB-CB 4.24Å; L762-L767 HydrophobicContact CD2-CD1 4.25Å; L762-L767 PolarHBondContact O-N 3.22Å; L762-L767 VanDerWaalsContact O-O 3.11Å; Q763-L767 PolarHBondContact N-O 3.04Å; Q765-L767 HydrophobicContact CB-CD1 4.41Å; Q765-L767 HydrophobicContact CB-CG 4.43Å; Q765-L767 PolarHBondContact O-N 3.41Å
768T96.9Very high96.5Very high125 Ų12561.7 Ų61.777%0.76730%0.303SS*.  trans-98.8119.1173.9-58.60000109A770T768-A770 PolarHBondContact O-N 3.17Å
769S97.4Very high96.4Very high32 Ų3261.6 Ų61.622%0.22430%0.303CS..  trans-67.2124.8176.9-173.10000110.6L771S769-L771 PolarHBondContact OG-N 2.85Å
770A96Very high96.3Very high18 Ų1860.7 Ų60.715%0.14929%0.294CS..  trans-106.96.9162.900000110.9S607 R610 T611 T768 E772S607-A770 WeakPolarHBondContact CB-O 3.39Å; R610-A770 HydrophobicContact CB-CB 3.98Å; T611-A770 WeakPolarHBondContact OG1-CB 3.41Å; T611-A770 PolarHBondContact OG1-N 3.07Å; T768-A770 PolarHBondContact O-N 3.17Å; A770-E772 PolarHBondContact O-N 3.42Å
771L96.4Very high96.3Very high8 Ų857.2 Ų57.24%0.04228%0.276CS..  trans-73120.4178.2-53.9-177.7000108.9Y601 S607 I608 F612 I707 W758 L762 S769Y601-L771 HydrophobicContact CE1-CB 4.21Å; S607-L771 WeakPolarHBondContact OG-CD2 3.44Å; I608-L771 HydrophobicContact CG1-CD2 4.18Å; F612-L771 HydrophobicContact CE2-CD1 4.4Å; I707-L771 HydrophobicContact CD1-CD1 3.74Å; I707-L771 HydrophobicContact CD1-CD2 3.87Å; I707-L771 HydrophobicContact CD1-CG 4.49Å; I707-L771 HydrophobicContact CG1-CD1 4.06Å; W758-L771 HydrophobicContact CB-CB 4.49Å; W758-L771 HydrophobicContact CB-CD1 4.39Å; W758-L771 HydrophobicContact CD2-CD1 3.57Å; W758-L771 HydrophobicContact CE3-CD1 3.7Å; W758-L771 HydrophobicContact CG-CB 4.39Å; W758-L771 HydrophobicContact CG-CD1 3.88Å; W758-L771 HydrophobicContact CZ3-CD1 4.25Å; L762-L771 HydrophobicContact CD1-CD1 4.05Å; L762-L771 HydrophobicContact CD1-CG 4.45Å; S769-L771 PolarHBondContact OG-N 2.85Å
772E95.3Very high96.3Very high73 Ų7355.9 Ų55.934%0.34127%0.268SS..  trans-133.7101.7-175.8-17518017700108.9Y601 K602 A770Y601-E772 WeakPolarHBondContact CA-O 3.41Å; Y601-E772 WeakPolarHBondContact CD1-O 3.48Å; K602-E772 HydrophobicContact CB-CB 4.35Å; K602-E772 WeakPolarHBondContact CD-OE2 3.31Å; K602-E772 PolarHBondContact N-O 3.38Å; K602-E772 IonicContact NZ-OE2 3.4Å; A770-E772 PolarHBondContact O-N 3.42Å
773L96.9Very high96.3Very high3 Ų355.8 Ų55.82%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-77.9129.3169.8-170.267000108.6L599 Y601 T711 V751 V754 N755L599-L773 HydrophobicContact CB-CD1 3.96Å; L599-L773 HydrophobicContact CB-CD2 4Å; L599-L773 HydrophobicContact CB-CG 4.03Å; L599-L773 HydrophobicContact CD1-CD2 4.12Å; Y601-L773 HydrophobicContact CD1-CB 4.08Å; Y601-L773 HydrophobicContact CD1-CD1 4.25Å; Y601-L773 HydrophobicContact CD2-CD1 3.68Å; Y601-L773 HydrophobicContact CE1-CB 3.79Å; Y601-L773 HydrophobicContact CE1-CD1 4.3Å; Y601-L773 HydrophobicContact CE2-CD1 3.74Å; Y601-L773 HydrophobicContact CG-CD1 3.94Å; T711-L773 HydrophobicContact CG2-CD2 4Å; V751-L773 HydrophobicContact CB-CB 4.42Å; V751-L773 HydrophobicContact CB-CG 4.43Å; V751-L773 WeakPolarHBondContact CB-O 3.15Å; V751-L773 HydrophobicContact CG1-CB 4.34Å; V751-L773 HydrophobicContact CG1-CD2 3.98Å; V751-L773 HydrophobicContact CG1-CG 3.86Å; V754-L773 HydrophobicContact CB-CD2 4.03Å; V754-L773 HydrophobicContact CG1-CB 4.48Å; V754-L773 HydrophobicContact CG1-CD2 3.94Å; V754-L773 HydrophobicContact CG2-CD2 4.19Å; N755-L773 PolarHBondContact ND2-N 2.66Å; N755-L773 PolarHBondContact ND2-O 2.81Å; N755-L773 WeakPolarHBondContact OD1-CB 3.2Å; N755-L773 PolarHBondContact OD1-N 3.13Å
774E95.1Very high96.3Very high75 Ų7548.9 Ų48.935%0.3524%0.235SC..EExtended strand (participates in β ladder)trans-109.2147177.6-65.8-174.5118.700110.4L599 D600 K602L599-E774 CarbonylContact C-O 3.56Å; L599-E774 WeakPolarHBondContact CA-O 3.36Å; D600-E774 PolarHBondContact N-O 3.22Å; D600-E774 PolarHBondContact O-N 2.81Å; K602-E774 HydrophobicContact CB-CG 4.03Å; K602-E774 WeakPolarHBondContact CB-OE2 3.43Å; K602-E774 WeakPolarHBondContact CG-OE2 3.33Å
775Y96.1Very high96.2Very high64 Ų6442 Ų4225%0.25121%0.205SC..EExtended strand (participates in β ladder)trans-83.1111.6167.1163.5-116.4000108L597 L599 A744 H778L597-Y775 HydrophobicContact CD2-CE2 4.11Å; L599-Y775 HydrophobicContact CD2-CD2 4.04Å; A744-Y775 HydrophobicContact CB-CE1 3.94Å; Y775-H778 HydrophobicContact CE2-CB 4.48Å; Y775-H778 WeakPolarHBondContact OH-CB 3.48Å
776E92.2Very high96.2Very high119 Ų11940 Ų4056%0.55620%0.199SC*.EExtended strand (participates in β ladder)trans-96.8-49.6-172.8-167.9-172.1-17200112.2V598 D600V598-E776 PolarHBondContact O-N 3.38Å; D600-E776 HydrophobicContact CB-CB 4.32Å
777T94.6Very high95.9Very high23 Ų2335.5 Ų35.514%0.14119%0.187CC..EExtended strand (participates in β ladder)trans-152143.8-169.2-64.50000111.6L597 V598 F779 I802L597-T777 CarbonylContact C-O 3.17Å; L597-T777 WeakPolarHBondContact CA-O 3.42Å; V598-T777 PolarHBondContact N-O 2.95Å; V598-T777 PolarHBondContact O-N 3.41Å; T777-F779 HydrophobicContact CG2-CD1 4.26Å; T777-F779 HydrophobicContact CG2-CD2 4.13Å; T777-F779 HydrophobicContact CG2-CE1 4.15Å; T777-F779 HydrophobicContact CG2-CE2 4.02Å; T777-F779 HydrophobicContact CG2-CG 4.26Å; T777-F779 HydrophobicContact CG2-CZ 4.02Å; T777-I802 HydrophobicContact CG2-CD1 3.51Å; T777-I802 HydrophobicContact CG2-CG1 3.8Å
778H97.7Very high95.3Very high4 Ų440.8 Ų40.82%0.01921%0.206CC..EExtended strand (participates in β ladder)trans-107118.8158.6167.6-132000108.5S595 L597 E740 A743 Y775S595-H778 WeakPolarHBondContact CB-NE2 3.35Å; S595-H778 PolarHBondContact OG-NE2 3.44Å; L597-H778 HydrophobicContact CD2-CB 3.87Å; E740-H778 IonicContact OE1-CE1 3.77Å; E740-H778 PolarHBondContact OE1-CE1 2.79Å; E740-H778 IonicContact OE1-ND1 3.61Å; E740-H778 PolarHBondContact OE1-ND1 2.8Å; E740-H778 IonicContact OE2-CE1 3.17Å; E740-H778 IonicContact OE2-CG 3.79Å; E740-H778 IonicContact OE2-ND1 2.77Å; E740-H778 PolarHBondContact OE2-ND1 3.49Å; A743-H778 HydrophobicContact CB-CB 4.22Å; Y775-H778 HydrophobicContact CE2-CB 4.48Å; Y775-H778 WeakPolarHBondContact OH-CB 3.48Å
779F97.2Very high94.8Very high8 Ų839.3 Ų39.34%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-88.4114.7165.7-73.2-64.7000108.1S595 V596 V598 F731 T777 R781 F782 L801 I802 V811S595-F779 CarbonylContact C-O 3.48Å; S595-F779 WeakPolarHBondContact CA-O 2.96Å; V596-F779 HydrophobicContact CB-CB 4.45Å; V596-F779 PolarHBondContact N-O 3.49Å; V596-F779 PolarHBondContact O-N 3.25Å; V598-F779 HydrophobicContact CG2-CD2 3.83Å; V598-F779 HydrophobicContact CG2-CE2 3.62Å; F731-F779 HydrophobicContact CE1-CE2 4.37Å; T777-F779 HydrophobicContact CG2-CD1 4.26Å; T777-F779 HydrophobicContact CG2-CD2 4.13Å; T777-F779 HydrophobicContact CG2-CE1 4.15Å; T777-F779 HydrophobicContact CG2-CE2 4.02Å; T777-F779 HydrophobicContact CG2-CG 4.26Å; T777-F779 HydrophobicContact CG2-CZ 4.02Å; F779-R781 PolarHBondContact O-N 2.96Å; F779-F782 HydrophobicContact CB-CB 4.11Å; F779-F782 HydrophobicContact CB-CD2 4.2Å; F779-F782 AromaticContact CD2-CD2 3.62Å; F779-F782 HydrophobicContact CD2-CD2 3.62Å; F779-F782 AromaticContact CD2-CE2 3.97Å; F779-F782 HydrophobicContact CD2-CE2 3.97Å; F779-F782 HydrophobicContact CE2-CD2 4.12Å; F779-F782 HydrophobicContact CE2-CE2 4.07Å; F779-F782 AromaticContact CG-CD2 3.91Å; F779-F782 HydrophobicContact CG-CD2 3.91Å; F779-L801 CarbonylContact C-O 3.55Å; F779-L801 VanDerWaalsContact CA-O 3.28Å; F779-L801 WeakPolarHBondContact CA-O 3.47Å; F779-I802 HydrophobicContact CD1-CD1 4.29Å; F779-I802 HydrophobicContact CD1-CG1 3.54Å; F779-I802 HydrophobicContact CE1-CD1 3.76Å; F779-I802 HydrophobicContact CE1-CG1 3.48Å; F779-I802 VanDerWaalsContact CE1-CG1 3.48Å; F779-I802 HydrophobicContact CZ-CD1 4.39Å; F779-I802 HydrophobicContact CZ-CG1 4.49Å; F779-V811 HydrophobicContact CE1-CB 3.79Å; F779-V811 HydrophobicContact CE1-CG2 3.9Å; F779-V811 HydrophobicContact CZ-CB 3.99Å; F779-V811 HydrophobicContact CZ-CG1 4.28Å; F779-V811 HydrophobicContact CZ-CG2 4.28Å
780C96.4Very high94.4Very high26 Ų2639.7 Ų39.718%0.17622%0.222CC..SBendtrans-70.8-21.5175.1620000111.9D594 L801D594-C780 CarbonylContact C-O 3.49Å; D594-C780 WeakPolarHBondContact CA-O 3.46Å; D594-C780 CarbonylContact O-C 3.54Å; C780-L801 PolarHBondContact N-O 2.86Å; C780-L801 PolarHBondContact SG-O 2.87Å
781R97.1Very high94Very high28 Ų2846.1 Ų46.111%0.10625%0.253CS..EExtended strand (participates in β ladder)trans-140.2140.6167.3-62.2-75.1-78.4151.31.7109.8Y593 D594 F779 G800 L801 F838 N840Y593-R781 WeakPolarHBondContact O-CA 3.4Å; Y593-R781 PolarHBondContact O-NH1 2.99Å; D594-R781 WeakPolarHBondContact O-CA 3.47Å; D594-R781 WeakPolarHBondContact OD1-CD 3.24Å; D594-R781 IonicContact OD1-CZ 2.72Å; D594-R781 IonicContact OD1-NE 3.34Å; D594-R781 IonicContact OD1-NH1 3.43Å; D594-R781 PolarHBondContact OD1-NH1 3.25Å; F779-R781 PolarHBondContact O-N 2.96Å; R781-G800 CarbonylContact O-C 3.34Å; R781-G800 WeakPolarHBondContact O-CA 3.34Å; R781-L801 HydrophobicContact CB-CB 4.03Å; R781-L801 PolarHBondContact O-N 2.78Å; R781-F838 HydrophobicContact CB-CB 4.04Å; R781-F838 HydrophobicContact CB-CD1 3.61Å; R781-F838 HydrophobicContact CB-CE1 4.25Å; R781-F838 HydrophobicContact CB-CG 3.96Å; R781-F838 HydrophobicContact CG-CB 4.31Å; R781-F838 WeakPolarHBondContact CG-O 3.37Å; R781-F838 PolarHBondContact NE-O 3.29Å; R781-N840 PolarHBondContact NH2-OD1 2.76Å
782F97.7Very high93.7Very high0 Ų049.5 Ų49.50%028%0.275CS..EExtended strand (participates in β ladder)trans-144.4138.6-176.3-173.8-102.4000112.4Y593 V596 I723 F731 F779 M784 Y798 A799Y593-F782 HydrophobicContact CD2-CD1 4.2Å; Y593-F782 PolarHBondContact N-O 3.32Å; Y593-F782 PolarHBondContact O-N 2.97Å; V596-F782 HydrophobicContact CB-CB 3.87Å; V596-F782 HydrophobicContact CB-CD1 4.29Å; V596-F782 HydrophobicContact CB-CG 4.04Å; V596-F782 HydrophobicContact CG1-CD1 4.2Å; V596-F782 HydrophobicContact CG1-CG 4.25Å; V596-F782 HydrophobicContact CG2-CB 3.63Å; V596-F782 HydrophobicContact CG2-CD1 3.94Å; V596-F782 HydrophobicContact CG2-CG 3.98Å; I723-F782 HydrophobicContact CD1-CD1 4Å; I723-F782 HydrophobicContact CD1-CE1 4.01Å; F731-F782 HydrophobicContact CD1-CE1 4.14Å; F731-F782 AromaticContact CD1-CE2 3.9Å; F731-F782 HydrophobicContact CD1-CE2 3.9Å; F731-F782 AromaticContact CD1-CZ 3.52Å; F731-F782 HydrophobicContact CD1-CZ 3.52Å; F731-F782 AromaticContact CE1-CE2 3.65Å; F731-F782 HydrophobicContact CE1-CE2 3.65Å; F731-F782 AromaticContact CE1-CZ 3.56Å; F731-F782 HydrophobicContact CE1-CZ 3.56Å; F779-F782 HydrophobicContact CB-CB 4.11Å; F779-F782 HydrophobicContact CB-CD2 4.2Å; F779-F782 AromaticContact CD2-CD2 3.62Å; F779-F782 HydrophobicContact CD2-CD2 3.62Å; F779-F782 AromaticContact CD2-CE2 3.97Å; F779-F782 HydrophobicContact CD2-CE2 3.97Å; F779-F782 HydrophobicContact CE2-CD2 4.12Å; F779-F782 HydrophobicContact CE2-CE2 4.07Å; F779-F782 AromaticContact CG-CD2 3.91Å; F779-F782 HydrophobicContact CG-CD2 3.91Å; F782-M784 HydrophobicContact CE1-CB 4.11Å; F782-M784 HydrophobicContact CE1-CE 3.66Å; F782-M784 HydrophobicContact CZ-CE 3.73Å; F782-Y798 AromaticContact CE2-CD2 3.57Å; F782-Y798 HydrophobicContact CE2-CD2 3.57Å; F782-Y798 HydrophobicContact CE2-CE2 4.28Å; F782-Y798 HydrophobicContact CE2-CG 4.01Å; F782-Y798 AromaticContact CZ-CD2 3.9Å; F782-Y798 HydrophobicContact CZ-CD2 3.9Å; F782-Y798 AromaticContact CZ-CG 3.85Å; F782-Y798 HydrophobicContact CZ-CG 3.85Å; F782-A799 WeakPolarHBondContact CD2-O 3.38Å
783L97.6Very high93.5Very high0 Ų046.4 Ų46.40%026%0.262CS..EExtended strand (participates in β ladder)trans-116.5122.2174.4-179.174.8000110.2L592 Y798 A799 Y834 F838 I945 F948L592-L783 HydrophobicContact CB-CD1 4.37Å; L592-L783 HydrophobicContact CD1-CB 4.49Å; L592-L783 HydrophobicContact CD1-CD1 4.31Å; L783-Y798 WeakPolarHBondContact O-CA 3.29Å; L783-Y798 WeakPolarHBondContact O-CB 3.18Å; L783-A799 PolarHBondContact N-O 2.96Å; L783-A799 PolarHBondContact O-N 3.2Å; L783-A799 VanDerWaalsContact O-N 3.17Å; L783-Y834 HydrophobicContact CD2-CD1 4.11Å; L783-Y834 HydrophobicContact CD2-CE1 3.26Å; L783-Y834 WeakPolarHBondContact CD2-OH 3.32Å; L783-F838 HydrophobicContact CB-CE1 3.95Å; L783-F838 HydrophobicContact CB-CZ 3.86Å; L783-I945 HydrophobicContact CD1-CG1 4.08Å; L783-I945 HydrophobicContact CD2-CB 4.07Å; L783-I945 HydrophobicContact CD2-CD1 3.95Å; L783-I945 HydrophobicContact CD2-CG1 3.88Å; L783-F948 HydrophobicContact CD1-CD2 3.6Å; L783-F948 HydrophobicContact CD1-CE2 3.89Å; L783-F948 HydrophobicContact CD1-CG 4.27Å
784M97Very high93.2Very high1 Ų146.6 Ų46.61%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-106.5104.3163.7-174.756.958.500109.2S588 R589 P590 G591 Y593 Y724 F782 Y798S588-M784 VanDerWaalsContact CB-SD 3.51Å; S588-M784 PolarHBondContact OG-SD 2.86Å; R589-M784 WeakPolarHBondContact O-CG 3.29Å; P590-M784 CarbonylContact C-O 3.53Å; P590-M784 WeakPolarHBondContact CA-O 3.35Å; G591-M784 PolarHBondContact N-O 3.2Å; G591-M784 PolarHBondContact O-N 3.42Å; Y593-M784 HydrophobicContact CE2-CB 4.17Å; Y724-M784 HydrophobicContact CD1-CE 3.65Å; Y724-M784 HydrophobicContact CD2-CE 4.27Å; Y724-M784 HydrophobicContact CE1-CE 4.39Å; Y724-M784 HydrophobicContact CG-CE 3.58Å; F782-M784 HydrophobicContact CE1-CB 4.11Å; F782-M784 HydrophobicContact CE1-CE 3.66Å; F782-M784 HydrophobicContact CZ-CE 3.73Å; M784-Y798 HydrophobicContact CE-CD1 4.41Å; M784-Y798 HydrophobicContact CE-CG 4.46Å
785P94.8Very high93Very high4 Ų447.3 Ų47.33%0.02627%0.266CS..PPolyproline II helixtrans-74.7165.3-177.232.5-36.1000111.8S794 R797 L815P785-S794 VanDerWaalsContact O-CB 3.26Å; P785-S794 WeakPolarHBondContact O-CB 3.42Å; P785-S794 PolarHBondContact O-N 3.5Å; P785-R797 WeakPolarHBondContact CD-O 3.41Å; P785-R797 HydrophobicContact CG-CB 4.23Å; P785-R797 WeakPolarHBondContact CG-O 2.96Å; P785-L815 HydrophobicContact CG-CD2 4.36Å
786T94.2Very high92.7Very high39 Ų3949.3 Ų49.324%0.23928%0.276CS..BIsolated β-bridgetrans-84.2168.916655.80000112.1P590 A790 T792 F948P590-T786 HydrophobicContact CB-CG2 3.64Å; P590-T786 HydrophobicContact CG-CG2 3.98Å; T786-A790 WeakPolarHBondContact CB-O 3.23Å; T786-A790 PolarHBondContact OG1-O 3.37Å; T786-T792 CarbonylContact C-O 3.6Å; T786-T792 VanDerWaalsContact CA-O 3.29Å; T786-T792 WeakPolarHBondContact CA-O 3.43Å; T786-F948 HydrophobicContact CG2-CZ 4.05Å
787I90.7Very high92.7Very high84 Ų8446.3 Ų46.343%0.43126%0.259SS..PPolyproline II helixtrans-69.3135.3162-59.8175.6000107.6G789 A790 T792I787-G789 PolarHBondContact O-N 2.72Å; I787-G789 VanDerWaalsContact O-N 3.14Å; I787-A790 HydrophobicContact CB-CB 4.46Å; I787-A790 PolarHBondContact O-N 2.96Å; I787-T792 HydrophobicContact CD1-CG2 4.05Å; I787-T792 PolarHBondContact N-O 3.39Å
788R84.2Confident92.8Very high122 Ų12246.7 Ų46.746%0.4626%0.258SS..THydrogen-bonded Turntrans-53.3124-179.4-72.6-173.9-177.3165.84.4111E816R788-E816 IonicContact CZ-OE1 3.92Å; R788-E816 IonicContact NH2-OE1 3.96Å; R788-E816 PolarHBondContact NH2-OE1 2.91Å
789G85.8Confident92.8Very high95 Ų9546.5 Ų46.598%0.97926%0.257SS*.THydrogen-bonded Turntrans78.111.2179.300000115.6I787I787-G789 PolarHBondContact O-N 2.72Å; I787-G789 VanDerWaalsContact O-N 3.14Å
790A89.5Confident92.8Very high40 Ų4046.1 Ų46.133%0.33126%0.255SS..SBendtrans-139.8155.5175.700000111.4T786 I787 T792T786-A790 WeakPolarHBondContact CB-O 3.23Å; T786-A790 PolarHBondContact OG1-O 3.37Å; I787-A790 HydrophobicContact CB-CB 4.46Å; I787-A790 PolarHBondContact O-N 2.96Å; A790-T792 PolarHBondContact O-N 3.2Å
791D87.8Confident92.8Very high152 Ų15245 Ų4581%0.81325%0.248SC*.SBendtrans-79.7-4.7175.2-60.7-39.2000113G793D791-G793 PolarHBondContact O-N 2.76Å
792T90.1Very high92.8Very high80 Ų8044.3 Ų44.349%0.49125%0.246SC..SBendtrans-68130.9179.3-510000110.6T786 I787 A790T786-T792 CarbonylContact C-O 3.6Å; T786-T792 VanDerWaalsContact CA-O 3.29Å; T786-T792 WeakPolarHBondContact CA-O 3.43Å; I787-T792 HydrophobicContact CD1-CG2 4.05Å; I787-T792 PolarHBondContact N-O 3.39Å; A790-T792 PolarHBondContact O-N 3.2Å
793G90.5Very high92.7Very high7 Ų746.7 Ų46.77%0.07226%0.257CS..BIsolated β-bridgetrans-58.2139.317500000112.9S588 D791S588-G793 WeakPolarHBondContact OG-CA 3.45Å; D791-G793 PolarHBondContact O-N 2.76Å
794S90.8Very high92.3Very high8 Ų851.6 Ų51.66%0.05628%0.28CS..PPolyproline II helixtrans-74.2157.7178.3-151.20000111.7S588 P785S588-S794 WeakPolarHBondContact CB-O 3.42Å; S588-S794 PolarHBondContact OG-N 3.26Å; S588-S794 PolarHBondContact OG-O 3.49Å; P785-S794 VanDerWaalsContact O-CB 3.26Å; P785-S794 WeakPolarHBondContact O-CB 3.42Å; P785-S794 PolarHBondContact O-N 3.5Å
795K91.1Very high92.1Very high90 Ų9054.7 Ų54.739%0.39131%0.312SS..SBendtrans-116.8144.5174.1-70.1176.1-179.3167.70109.7V585 M586 D587 Y724 R797V585-K795 HydrophobicContact CB-CD 4.33Å; V585-K795 HydrophobicContact CG1-CB 3.96Å; V585-K795 HydrophobicContact CG1-CD 3.79Å; V585-K795 HydrophobicContact CG1-CG 3.83Å; M586-K795 WeakPolarHBondContact O-CE 3.45Å; D587-K795 WeakPolarHBondContact OD1-CE 3.33Å; D587-K795 IonicContact OD1-NZ 3.83Å; D587-K795 PolarHBondContact OD1-NZ 2.75Å; Y724-K795 HydrophobicContact CE2-CG 4.45Å; K795-R797 PolarHBondContact O-N 2.71Å; K795-R797 VanDerWaalsContact O-N 3.12Å
796K90.1Very high91.9Very high106 Ų10662.7 Ų62.746%0.46136%0.355SS..SBendtrans57.719.9-179.1-52.3-168.7169.4-740114.3Y724 D726 G814Y724-K796 WeakPolarHBondContact OH-CA 3.21Å; Y724-K796 PolarHBondContact OH-N 3.42Å; D726-K796 IonicContact OD1-NZ 3.92Å; D726-K796 PolarHBondContact OD1-NZ 3.05Å; D726-K796 WeakPolarHBondContact OD2-CG 3.42Å; D726-K796 IonicContact OD2-NZ 3.55Å; D726-K796 PolarHBondContact OD2-NZ 3.14Å; K796-G814 WeakPolarHBondContact O-CA 3.47Å
797R93.1Very high91.9Very high56 Ų5668.8 Ų68.821%0.21138%0.378CS..  trans-136.4112-176.5-69.3176.26093.3-7.4108.9P785 K795 K813 G814 L815 E816P785-R797 WeakPolarHBondContact CD-O 3.41Å; P785-R797 HydrophobicContact CG-CB 4.23Å; P785-R797 WeakPolarHBondContact CG-O 2.96Å; K795-R797 PolarHBondContact O-N 2.71Å; K795-R797 VanDerWaalsContact O-N 3.12Å; R797-K813 VanDerWaalsContact CA-O 3.23Å; R797-K813 WeakPolarHBondContact CA-O 3.44Å; R797-G814 PolarHBondContact NH1-O 3.45Å; R797-L815 HydrophobicContact CB-CD2 4.22Å; R797-E816 IonicContact CZ-OE1 3.01Å; R797-E816 IonicContact NH1-OE1 2.67Å; R797-E816 IonicContact NH2-OE1 3.31Å; R797-E816 PolarHBondContact NH2-OE1 2.88Å; R797-E816 IonicContact NH2-OE2 3.63Å; R797-E816 PolarHBondContact NH2-OE2 3.45Å
798Y95.9Very high92Very high30 Ų3068.3 Ų68.312%0.11837%0.374CS..EExtended strand (participates in β ladder)trans-162.2163.9178.156.8-97.8000111.2Y724 F731 F782 L783 M784 K813 L815Y724-Y798 HydrophobicContact CD1-CD1 4.42Å; Y724-Y798 HydrophobicContact CD1-CE1 4.49Å; Y724-Y798 HydrophobicContact CE1-CD1 4.01Å; Y724-Y798 AromaticContact CE1-CE1 3.9Å; Y724-Y798 HydrophobicContact CE1-CE1 3.9Å; F731-Y798 HydrophobicContact CE1-CD2 4.45Å; F731-Y798 HydrophobicContact CE1-CE2 4.1Å; F731-Y798 AromaticContact CZ-CE1 3.99Å; F731-Y798 HydrophobicContact CZ-CE1 3.99Å; F731-Y798 HydrophobicContact CZ-CE2 4.01Å; F731-Y798 AromaticContact CZ-CZ 3.61Å; F782-Y798 AromaticContact CE2-CD2 3.57Å; F782-Y798 HydrophobicContact CE2-CD2 3.57Å; F782-Y798 HydrophobicContact CE2-CE2 4.28Å; F782-Y798 HydrophobicContact CE2-CG 4.01Å; F782-Y798 AromaticContact CZ-CD2 3.9Å; F782-Y798 HydrophobicContact CZ-CD2 3.9Å; F782-Y798 AromaticContact CZ-CG 3.85Å; F782-Y798 HydrophobicContact CZ-CG 3.85Å; L783-Y798 WeakPolarHBondContact O-CA 3.29Å; L783-Y798 WeakPolarHBondContact O-CB 3.18Å; M784-Y798 HydrophobicContact CE-CD1 4.41Å; M784-Y798 HydrophobicContact CE-CG 4.46Å; Y798-K813 HydrophobicContact CD1-CB 4.17Å; Y798-K813 HydrophobicContact CD2-CB 4.05Å; Y798-K813 HydrophobicContact CD2-CG 4.11Å; Y798-K813 HydrophobicContact CE1-CB 3.86Å; Y798-K813 HydrophobicContact CE1-CG 4.17Å; Y798-K813 HydrophobicContact CE2-CB 3.75Å; Y798-K813 HydrophobicContact CE2-CG 3.4Å; Y798-K813 HydrophobicContact CG-CB 4.26Å; Y798-K813 VanDerWaalsContact CZ-CG 3.45Å; Y798-K813 PolarHBondContact N-O 2.94Å; Y798-K813 PolarHBondContact O-N 3.38Å; Y798-L815 WeakPolarHBondContact O-CD1 3.4Å
799A97.4Very high92.5Very high0 Ų068 Ų680%037%0.373CS..EExtended strand (participates in β ladder)trans-137.3154.8171.700000110.7F782 L783 V811 F812 L815 Y834 F838F782-A799 WeakPolarHBondContact CD2-O 3.38Å; L783-A799 PolarHBondContact N-O 2.96Å; L783-A799 PolarHBondContact O-N 3.2Å; L783-A799 VanDerWaalsContact O-N 3.17Å; A799-V811 CarbonylContact C-O 3.58Å; A799-V811 WeakPolarHBondContact CA-O 3.33Å; A799-F812 HydrophobicContact CB-CD1 3.76Å; A799-F812 HydrophobicContact CB-CE1 3.84Å; A799-F812 HydrophobicContact CB-CG 4.46Å; A799-L815 HydrophobicContact CB-CD1 3.75Å; A799-Y834 HydrophobicContact CB-CD1 3.68Å; A799-Y834 HydrophobicContact CB-CE1 3.8Å; A799-F838 HydrophobicContact CB-CE2 4.17Å; A799-F838 HydrophobicContact CB-CZ 4.05Å
800G96.9Very high93Very high0 Ų065.8 Ų65.80%034%0.337CS..EExtended strand (participates in β ladder)trans-158.9162.6172.600000113.3R781 M810 V811R781-G800 CarbonylContact O-C 3.34Å; R781-G800 WeakPolarHBondContact O-CA 3.34Å; G800-M810 CarbonylContact O-C 3.03Å; G800-M810 WeakPolarHBondContact O-CA 3.45Å; G800-V811 PolarHBondContact N-O 3.37Å; G800-V811 PolarHBondContact O-N 3.26Å
801L97.3Very high93.3Very high3 Ų364.9 Ų64.92%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-106.4130.3177.2-167.769.3000109.4F779 C780 R781 Q808 M810 L835 F838F779-L801 CarbonylContact C-O 3.55Å; F779-L801 VanDerWaalsContact CA-O 3.28Å; F779-L801 WeakPolarHBondContact CA-O 3.47Å; C780-L801 PolarHBondContact N-O 2.86Å; C780-L801 PolarHBondContact SG-O 2.87Å; R781-L801 HydrophobicContact CB-CB 4.03Å; R781-L801 PolarHBondContact O-N 2.78Å; L801-Q808 HydrophobicContact CD1-CB 4.02Å; L801-Q808 HydrophobicContact CD2-CG 4.46Å; L801-Q808 HydrophobicContact CG-CB 4.44Å; L801-M810 HydrophobicContact CD1-CG 3.77Å; L801-L835 HydrophobicContact CD1-CD1 4.18Å; L801-F838 HydrophobicContact CB-CB 4.33Å; L801-F838 HydrophobicContact CB-CD2 4.2Å; L801-F838 HydrophobicContact CB-CG 4.38Å; L801-F838 HydrophobicContact CD2-CB 4.12Å
802I96.6Very high93.6Very high13 Ų1358.6 Ų58.67%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-112134.8175.6-56.2173.7000108T777 F779 E804 Q808 R809 V811T777-I802 HydrophobicContact CG2-CD1 3.51Å; T777-I802 HydrophobicContact CG2-CG1 3.8Å; F779-I802 HydrophobicContact CD1-CD1 4.29Å; F779-I802 HydrophobicContact CD1-CG1 3.54Å; F779-I802 HydrophobicContact CE1-CD1 3.76Å; F779-I802 HydrophobicContact CE1-CG1 3.48Å; F779-I802 VanDerWaalsContact CE1-CG1 3.48Å; F779-I802 HydrophobicContact CZ-CD1 4.39Å; F779-I802 HydrophobicContact CZ-CG1 4.49Å; I802-E804 HydrophobicContact CG2-CG 3.93Å; I802-Q808 WeakPolarHBondContact O-CA 3.46Å; I802-R809 HydrophobicContact CB-CG 4.3Å; I802-R809 PolarHBondContact N-O 2.81Å; I802-R809 PolarHBondContact O-N 2.84Å; I802-V811 HydrophobicContact CD1-CG2 3.56Å; I802-V811 HydrophobicContact CG1-CG2 4.27Å
803Q94.7Very high93.7Very high51 Ų5159.7 Ų59.724%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-95.4120.1172.1-170.369.547.200109.5E740 G805 K807E740-Q803 HydrophobicContact CG-CB 4.22Å; E740-Q803 HydrophobicContact CG-CG 4.38Å; E740-Q803 WeakPolarHBondContact OE1-CB 3.35Å; Q803-G805 PolarHBondContact NE2-O 3.43Å; Q803-K807 PolarHBondContact NE2-O 2.9Å
804E89.9Confident93.7Very high103 Ų10360.8 Ų60.848%0.48130%0.302SS..EExtended strand (participates in β ladder)trans-124.590.3179.5-68175.5-175.700108.9I802 D806 K807 R809I802-E804 HydrophobicContact CG2-CG 3.93Å; E804-D806 PolarHBondContact O-N 3.38Å; E804-K807 PolarHBondContact N-O 3.43Å; E804-K807 PolarHBondContact O-N 2.89Å; E804-K807 VanDerWaalsContact O-N 3.08Å; E804-R809 IonicContact OE1-CZ 2.84Å; E804-R809 IonicContact OE1-NE 3.93Å; E804-R809 PolarHBondContact OE1-NE 2.93Å
805G92.1Very high93.9Very high65 Ų6560.5 Ų60.567%0.6730%0.3SS*.THydrogen-bonded Turntrans63.2-127-168.700000110.3Q803 K807Q803-G805 PolarHBondContact NE2-O 3.43Å; G805-K807 VanDerWaalsContact C-N 3.33Å
806D91.3Very high94Very high173 Ų17356.4 Ų56.493%0.92528%0.282SS*.THydrogen-bonded Turntrans-84.6-7174.4-60.5-40.8000113.4E804E804-D806 PolarHBondContact O-N 3.38Å
807K93.7Very high94.1Very high167 Ų16752.2 Ų52.273%0.72627%0.265SS*.EExtended strand (participates in β ladder)trans-93148-178.2-65.5-176.9-179.61780110.7Q803 E804 G805Q803-K807 PolarHBondContact NE2-O 2.9Å; E804-K807 PolarHBondContact N-O 3.43Å; E804-K807 PolarHBondContact O-N 2.89Å; E804-K807 VanDerWaalsContact O-N 3.08Å; G805-K807 VanDerWaalsContact C-N 3.33Å
808Q94.2Very high93.9Very high73 Ų7353.3 Ų53.334%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-118.3139.3171.9-72.5176.5-16.900109.8L801 I802 R839L801-Q808 HydrophobicContact CD1-CB 4.02Å; L801-Q808 HydrophobicContact CD2-CG 4.46Å; L801-Q808 HydrophobicContact CG-CB 4.44Å; I802-Q808 WeakPolarHBondContact O-CA 3.46Å; Q808-R839 VanDerWaalsContact OE1-NH2 3.11Å
809R94.4Very high93.6Very high117 Ų11756.7 Ų56.744%0.44229%0.291SS..EExtended strand (participates in β ladder)trans-129.4142.5168.585.7-179.517596.34.1111.3I802 E804I802-R809 HydrophobicContact CB-CG 4.3Å; I802-R809 PolarHBondContact N-O 2.81Å; I802-R809 PolarHBondContact O-N 2.84Å; E804-R809 IonicContact OE1-CZ 2.84Å; E804-R809 IonicContact OE1-NE 3.93Å; E804-R809 PolarHBondContact OE1-NE 2.93Å
810M96.1Very high93Very high48 Ų4861.9 Ų61.924%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-89.9145.1171.1-70.2-175.5-68.300111.2G800 L801 F812 Q831 L835 F838G800-M810 CarbonylContact O-C 3.03Å; G800-M810 WeakPolarHBondContact O-CA 3.45Å; L801-M810 HydrophobicContact CD1-CG 3.77Å; M810-F812 HydrophobicContact CB-CD2 4.24Å; M810-F812 HydrophobicContact CB-CE2 3.6Å; M810-F812 HydrophobicContact CB-CZ 4.34Å; M810-F812 HydrophobicContact CE-CE2 4.03Å; M810-F812 HydrophobicContact CE-CZ 4.28Å; M810-F812 HydrophobicContact CG-CE2 4.36Å; M810-F812 HydrophobicContact SD-CE2 3.88Å; M810-F812 HydrophobicContact SD-CZ 3.81Å; M810-Q831 HydrophobicContact CE-CB 4.15Å; M810-Q831 WeakPolarHBondContact CE-O 3.35Å; M810-L835 HydrophobicContact CE-CB 3.81Å; M810-L835 HydrophobicContact CE-CD1 4.18Å; M810-L835 HydrophobicContact CE-CD2 4.42Å; M810-L835 HydrophobicContact CE-CG 4.36Å; M810-L835 HydrophobicContact CG-CD1 4.18Å; M810-L835 HydrophobicContact SD-CB 3.74Å; M810-L835 HydrophobicContact SD-CD1 4.01Å; M810-L835 HydrophobicContact SD-CG 4.45Å; M810-F838 HydrophobicContact SD-CD2 4.41Å
811V95.2Very high92.7Very high20 Ų2063.5 Ų63.512%0.12133%0.331CS..EExtended strand (participates in β ladder)trans-119130.3170.7-178.20000108.5F779 A799 G800 I802 K813F779-V811 HydrophobicContact CE1-CB 3.79Å; F779-V811 HydrophobicContact CE1-CG2 3.9Å; F779-V811 HydrophobicContact CZ-CB 3.99Å; F779-V811 HydrophobicContact CZ-CG1 4.28Å; F779-V811 HydrophobicContact CZ-CG2 4.28Å; A799-V811 CarbonylContact C-O 3.58Å; A799-V811 WeakPolarHBondContact CA-O 3.33Å; G800-V811 PolarHBondContact N-O 3.37Å; G800-V811 PolarHBondContact O-N 3.26Å; I802-V811 HydrophobicContact CD1-CG2 3.56Å; I802-V811 HydrophobicContact CG1-CG2 4.27Å; V811-K813 HydrophobicContact CG1-CG 4.42Å
812F94.9Very high92.6Very high20 Ų2064.9 Ų64.99%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-119.7136.3174.9-67.9-93.4000109.6A799 M810 L815 T817 V818 Q830 Q831 Y834A799-F812 HydrophobicContact CB-CD1 3.76Å; A799-F812 HydrophobicContact CB-CE1 3.84Å; A799-F812 HydrophobicContact CB-CG 4.46Å; M810-F812 HydrophobicContact CB-CD2 4.24Å; M810-F812 HydrophobicContact CB-CE2 3.6Å; M810-F812 HydrophobicContact CB-CZ 4.34Å; M810-F812 HydrophobicContact CE-CE2 4.03Å; M810-F812 HydrophobicContact CE-CZ 4.28Å; M810-F812 HydrophobicContact CG-CE2 4.36Å; M810-F812 HydrophobicContact SD-CE2 3.88Å; M810-F812 HydrophobicContact SD-CZ 3.81Å; F812-L815 HydrophobicContact CD1-CB 4.37Å; F812-L815 HydrophobicContact CD1-CD1 3.86Å; F812-T817 HydrophobicContact CD2-CG2 4.06Å; F812-T817 HydrophobicContact CE2-CG2 4.45Å; F812-T817 HydrophobicContact CG-CG2 4.17Å; F812-V818 HydrophobicContact CB-CG1 3.83Å; F812-Q830 HydrophobicContact CE1-CG 3.97Å; F812-Q831 HydrophobicContact CE2-CG 4.03Å; F812-Q831 HydrophobicContact CZ-CG 4.23Å; F812-Y834 AromaticContact CE1-CD1 3.58Å; F812-Y834 HydrophobicContact CE1-CD1 3.58Å; F812-Y834 HydrophobicContact CE1-CE1 4.11Å; F812-Y834 HydrophobicContact CE1-CG 4.04Å; F812-Y834 HydrophobicContact CZ-CD1 4.23Å; F812-Y834 HydrophobicContact CZ-CG 4.38Å
813K92.3Very high92.6Very high104 Ų10464.3 Ų64.345%0.45233%0.333SS..EExtended strand (participates in β ladder)trans-130.4124.7175-64.9-72.8-169.2173.80109.3R797 Y798 V811 L815R797-K813 VanDerWaalsContact CA-O 3.23Å; R797-K813 WeakPolarHBondContact CA-O 3.44Å; Y798-K813 HydrophobicContact CD1-CB 4.17Å; Y798-K813 HydrophobicContact CD2-CB 4.05Å; Y798-K813 HydrophobicContact CD2-CG 4.11Å; Y798-K813 HydrophobicContact CE1-CB 3.86Å; Y798-K813 HydrophobicContact CE1-CG 4.17Å; Y798-K813 HydrophobicContact CE2-CB 3.75Å; Y798-K813 HydrophobicContact CE2-CG 3.4Å; Y798-K813 HydrophobicContact CG-CB 4.26Å; Y798-K813 VanDerWaalsContact CZ-CG 3.45Å; Y798-K813 PolarHBondContact N-O 2.94Å; Y798-K813 PolarHBondContact O-N 3.38Å; V811-K813 HydrophobicContact CG1-CG 4.42Å; K813-L815 PolarHBondContact O-N 3.31Å
814G90.4Very high92.6Very high30 Ų3064.5 Ų64.531%0.30934%0.339SS..SBendtrans64.7-7.2176.200000117.2K796 R797K796-G814 WeakPolarHBondContact O-CA 3.47Å; R797-G814 PolarHBondContact NH1-O 3.45Å
815L94.1Very high93Very high2 Ų259.7 Ų59.71%0.0132%0.317CS..SBendtrans-74.8166.8174.2-67.6174000111.9P785 R797 Y798 A799 F812 K813 T817 V818 R819 Y834P785-L815 HydrophobicContact CG-CD2 4.36Å; R797-L815 HydrophobicContact CB-CD2 4.22Å; Y798-L815 WeakPolarHBondContact O-CD1 3.4Å; A799-L815 HydrophobicContact CB-CD1 3.75Å; F812-L815 HydrophobicContact CD1-CB 4.37Å; F812-L815 HydrophobicContact CD1-CD1 3.86Å; K813-L815 PolarHBondContact O-N 3.31Å; L815-T817 VanDerWaalsContact C-N 3.27Å; L815-T817 PolarHBondContact O-N 3.31Å; L815-V818 VanDerWaalsContact O-CG2 3.26Å; L815-V818 WeakPolarHBondContact O-CG2 3.49Å; L815-V818 PolarHBondContact O-N 2.84Å; L815-V818 VanDerWaalsContact O-N 3.15Å; L815-R819 WeakPolarHBondContact O-CG 3.49Å; L815-Y834 HydrophobicContact CD1-CE1 3.96Å
816E93.5Very high93.3Very high4 Ų456.6 Ų56.62%0.01929%0.285CS..G310 helixtrans-52.9-41.5-173.8-68.666.9-149.500112.6R788 R797 V818 R819 W822 Q830 V941R788-E816 IonicContact CZ-OE1 3.92Å; R788-E816 IonicContact NH2-OE1 3.96Å; R788-E816 PolarHBondContact NH2-OE1 2.91Å; R797-E816 IonicContact CZ-OE1 3.01Å; R797-E816 IonicContact NH1-OE1 2.67Å; R797-E816 IonicContact NH2-OE1 3.31Å; R797-E816 PolarHBondContact NH2-OE1 2.88Å; R797-E816 IonicContact NH2-OE2 3.63Å; R797-E816 PolarHBondContact NH2-OE2 3.45Å; E816-V818 PolarHBondContact O-N 3.35Å; E816-V818 VanDerWaalsContact O-N 3.16Å; E816-R819 PolarHBondContact O-N 3.24Å; E816-W822 HydrophobicContact CB-CD2 3.77Å; E816-W822 HydrophobicContact CB-CE3 3.89Å; E816-W822 HydrophobicContact CB-CG 4.01Å; E816-W822 HydrophobicContact CB-CZ3 4.49Å; E816-W822 HydrophobicContact CG-CD2 3.39Å; E816-W822 VanDerWaalsContact CG-CE2 3.43Å; E816-W822 HydrophobicContact CG-CE3 3.46Å; E816-W822 VanDerWaalsContact CG-CE3 3.46Å; E816-W822 HydrophobicContact CG-CG 4.08Å; E816-W822 HydrophobicContact CG-CH2 3.74Å; E816-W822 HydrophobicContact CG-CZ2 3.62Å; E816-W822 HydrophobicContact CG-CZ3 3.64Å; E816-Q830 PolarHBondContact OE2-NE2 3.01Å; E816-V941 HydrophobicContact CB-CG2 4.35Å; E816-V941 HydrophobicContact CG-CG2 4.18Å
817T91.2Very high93.5Very high17 Ų1750.6 Ų50.610%0.10425%0.251CS..G310 helixtrans-49.4-41.3177.8-62.80000113.3F812 L815 Q827 Q830 Q831F812-T817 HydrophobicContact CD2-CG2 4.06Å; F812-T817 HydrophobicContact CE2-CG2 4.45Å; F812-T817 HydrophobicContact CG-CG2 4.17Å; L815-T817 VanDerWaalsContact C-N 3.27Å; L815-T817 PolarHBondContact O-N 3.31Å; T817-Q827 PolarHBondContact OG1-O 3.43Å; T817-Q830 WeakPolarHBondContact OG1-CB 3.27Å; T817-Q830 WeakPolarHBondContact OG1-CG 3.43Å; T817-Q830 PolarHBondContact OG1-OE1 3.19Å; T817-Q831 HydrophobicContact CG2-CG 3.49Å; T817-Q831 VanDerWaalsContact CG2-CG 3.49Å
818V89Confident93.7Very high80 Ų8045.4 Ų45.449%0.48523%0.23SC..G310 helixtrans-98.810.3-175.3-64.10000113F812 L815 E816F812-V818 HydrophobicContact CB-CG1 3.83Å; L815-V818 VanDerWaalsContact O-CG2 3.26Å; L815-V818 WeakPolarHBondContact O-CG2 3.49Å; L815-V818 PolarHBondContact O-N 2.84Å; L815-V818 VanDerWaalsContact O-N 3.15Å; E816-V818 PolarHBondContact O-N 3.35Å; E816-V818 VanDerWaalsContact O-N 3.16Å
819R90Very high93.9Very high101 Ų10142 Ų4238%0.38121%0.214SC..  trans-106.6118.5-179.8-71.6-176.564.1105.45.3110.8L815 E816 D821 W822 Q827L815-R819 WeakPolarHBondContact O-CG 3.49Å; E816-R819 PolarHBondContact O-N 3.24Å; R819-D821 IonicContact CZ-OD1 2.8Å; R819-D821 IonicContact NE-OD1 3.29Å; R819-D821 PolarHBondContact NE-OD1 2.88Å; R819-D821 IonicContact NH2-OD1 3.5Å; R819-D821 PolarHBondContact NH2-OD1 2.79Å; R819-D821 IonicContact NH2-OD2 2.82Å; R819-D821 PolarHBondContact NH2-OD2 3.18Å; R819-D821 VanDerWaalsContact NH2-OD2 3.09Å; R819-D821 PolarHBondContact O-N 3.5Å; R819-D821 VanDerWaalsContact O-N 3.12Å; R819-W822 PolarHBondContact O-N 2.82Å; R819-Q827 PolarHBondContact O-NE2 2.85Å
820T86Confident94Very high109 Ų10936.5 Ų36.567%0.66919%0.193SC*.THydrogen-bonded Turntrans-67.7-11-179.754.50000114.6R866T820-R866 VanDerWaalsContact O-O 3.1Å
821D90.7Very high94.1Very high33 Ų3338 Ų3818%0.17620%0.2CC..THydrogen-bonded Turntrans-93.75.1177.172.3-34.1000114.5R819 K867R819-D821 IonicContact CZ-OD1 2.8Å; R819-D821 IonicContact NE-OD1 3.29Å; R819-D821 PolarHBondContact NE-OD1 2.88Å; R819-D821 IonicContact NH2-OD1 3.5Å; R819-D821 PolarHBondContact NH2-OD1 2.79Å; R819-D821 IonicContact NH2-OD2 2.82Å; R819-D821 PolarHBondContact NH2-OD2 3.18Å; R819-D821 VanDerWaalsContact NH2-OD2 3.09Å; R819-D821 PolarHBondContact O-N 3.5Å; R819-D821 VanDerWaalsContact O-N 3.12Å; D821-K867 HydrophobicContact CB-CD 4.16Å; D821-K867 IonicContact OD2-NZ 2.7Å; D821-K867 PolarHBondContact OD2-NZ 3.13Å
822W93.9Very high94.2Very high33 Ų3339.7 Ų39.713%0.12521%0.206CC..SBendtrans-102.4154.4170.1-76.672.1000110.9E816 R819 A826 Q827 P940E816-W822 HydrophobicContact CB-CD2 3.77Å; E816-W822 HydrophobicContact CB-CE3 3.89Å; E816-W822 HydrophobicContact CB-CG 4.01Å; E816-W822 HydrophobicContact CB-CZ3 4.49Å; E816-W822 HydrophobicContact CG-CD2 3.39Å; E816-W822 VanDerWaalsContact CG-CE2 3.43Å; E816-W822 HydrophobicContact CG-CE3 3.46Å; E816-W822 VanDerWaalsContact CG-CE3 3.46Å; E816-W822 HydrophobicContact CG-CG 4.08Å; E816-W822 HydrophobicContact CG-CH2 3.74Å; E816-W822 HydrophobicContact CG-CZ2 3.62Å; E816-W822 HydrophobicContact CG-CZ3 3.64Å; R819-W822 PolarHBondContact O-N 2.82Å; W822-A826 HydrophobicContact CE3-CB 3.6Å; W822-A826 HydrophobicContact CZ3-CB 4.21Å; W822-Q827 HydrophobicContact CB-CG 4.47Å; W822-Q827 PolarHBondContact O-NE2 3.06Å; W822-P940 HydrophobicContact CH2-CB 4.31Å
823T96.8Very high94.3Very high0 Ų038.7 Ų38.70%020%0.202CC..  trans-72.9151.8-179.8630000111.9L825 A826 Q827 R862 Y865 Y933 Q937T823-L825 PolarHBondContact O-N 3.06Å; T823-L825 VanDerWaalsContact O-N 3.16Å; T823-A826 PolarHBondContact O-N 3.31Å; T823-A826 VanDerWaalsContact O-N 3.1Å; T823-A826 PolarHBondContact OG1-N 2.92Å; T823-Q827 WeakPolarHBondContact O-CG 3.25Å; T823-Q827 PolarHBondContact O-N 3.49Å; T823-R862 WeakPolarHBondContact CB-O 3.43Å; T823-Y865 HydrophobicContact CG2-CD1 3.77Å; T823-Y865 HydrophobicContact CG2-CD2 3.89Å; T823-Y865 HydrophobicContact CG2-CE1 3.63Å; T823-Y865 HydrophobicContact CG2-CE2 3.76Å; T823-Y865 HydrophobicContact CG2-CG 3.89Å; T823-Y933 HydrophobicContact CG2-CE1 4.11Å; T823-Q937 HydrophobicContact CG2-CG 4.18Å; T823-Q937 PolarHBondContact OG1-NE2 3.39Å
824P95.7Very high94.6Very high56 Ų5633.8 Ų33.836%0.36418%0.18SC..Hα-helixtrans-51.6-34.2169.7-2834.9000113.2A826 Q827 Q828 R862 V864P824-A826 PolarHBondContact O-N 2.96Å; P824-Q827 PolarHBondContact O-N 2.9Å; P824-Q828 WeakPolarHBondContact O-CB 3.49Å; P824-Q828 PolarHBondContact O-N 3.44Å; P824-R862 HydrophobicContact CB-CB 4.27Å; P824-R862 WeakPolarHBondContact CD-O 3.46Å; P824-V864 WeakPolarHBondContact CD-O 3.21Å
825L98Very high94.9Very high2 Ų234.3 Ų34.31%0.0118%0.176CC..Hα-helixtrans-54.1-54.4174.6174.570.1000111.7T823 Q827 F829 L854 L859 R862 L863 Q937 L938T823-L825 PolarHBondContact O-N 3.06Å; T823-L825 VanDerWaalsContact O-N 3.16Å; L825-Q827 PolarHBondContact O-N 3.43Å; L825-F829 WeakPolarHBondContact O-CB 3.46Å; L825-F829 PolarHBondContact O-N 3.34Å; L825-L854 HydrophobicContact CD2-CD1 3.96Å; L825-L854 HydrophobicContact CD2-CD2 4.2Å; L825-L859 HydrophobicContact CD1-CD1 3.81Å; L825-R862 HydrophobicContact CB-CB 3.88Å; L825-R862 WeakPolarHBondContact CB-O 3.42Å; L825-R862 PolarHBondContact N-O 3.29Å; L825-L863 HydrophobicContact CB-CD2 4.21Å; L825-L863 HydrophobicContact CD2-CD2 3.6Å; L825-L863 HydrophobicContact CG-CD2 4.41Å; L825-Q937 HydrophobicContact CD2-CB 4.43Å; L825-L938 HydrophobicContact CD1-CD2 4.01Å; L825-L938 HydrophobicContact CD2-CD2 4Å; L825-L938 HydrophobicContact CD2-CG 4.16Å; L825-L938 HydrophobicContact CG-CD2 3.75Å; L825-L938 HydrophobicContact CG-CG 4.46Å
826A97.7Very high95.1Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-68.1-36.7-17800000112.5W822 T823 P824 Q830 Q937 V941W822-A826 HydrophobicContact CE3-CB 3.6Å; W822-A826 HydrophobicContact CZ3-CB 4.21Å; T823-A826 PolarHBondContact O-N 3.31Å; T823-A826 VanDerWaalsContact O-N 3.1Å; T823-A826 PolarHBondContact OG1-N 2.92Å; P824-A826 PolarHBondContact O-N 2.96Å; A826-Q830 VanDerWaalsContact O-CB 3.28Å; A826-Q830 WeakPolarHBondContact O-CB 3.33Å; A826-Q830 PolarHBondContact O-N 3.37Å; A826-Q937 HydrophobicContact CB-CB 4.11Å; A826-V941 HydrophobicContact CB-CG2 4.24Å
827Q96.8Very high95.3Very high47 Ų4737 Ų3722%0.2219%0.186CC..Hα-helixtrans-64.4-51.6180-65173.7-13.500110.7T817 R819 W822 T823 P824 L825 Q830 Q831T817-Q827 PolarHBondContact OG1-O 3.43Å; R819-Q827 PolarHBondContact O-NE2 2.85Å; W822-Q827 HydrophobicContact CB-CG 4.47Å; W822-Q827 PolarHBondContact O-NE2 3.06Å; T823-Q827 WeakPolarHBondContact O-CG 3.25Å; T823-Q827 PolarHBondContact O-N 3.49Å; P824-Q827 PolarHBondContact O-N 2.9Å; L825-Q827 PolarHBondContact O-N 3.43Å; Q827-Q830 PolarHBondContact O-N 3.49Å; Q827-Q831 WeakPolarHBondContact O-CG 3.3Å; Q827-Q831 PolarHBondContact O-N 3.19Å; Q827-Q831 VanDerWaalsContact O-N 3.07Å
828Q96.7Very high95.5Very high58 Ų5836.3 Ų36.327%0.27118%0.181SC..Hα-helixtrans-64.9-43.4177.8-177.7172.4-7.500111.4P824 Q830 Q831 E832P824-Q828 WeakPolarHBondContact O-CB 3.49Å; P824-Q828 PolarHBondContact O-N 3.44Å; Q828-Q830 VanDerWaalsContact C-N 3.3Å; Q828-Q830 PolarHBondContact O-N 3.08Å; Q828-Q831 PolarHBondContact O-N 2.87Å; Q828-E832 HydrophobicContact CG-CG 4.4Å; Q828-E832 WeakPolarHBondContact CG-OE1 3.25Å; Q828-E832 PolarHBondContact NE2-OE1 3.49Å; Q828-E832 WeakPolarHBondContact O-CB 3.29Å; Q828-E832 PolarHBondContact O-N 2.82Å
829F98.1Very high95.8Very high2 Ų237.6 Ų37.61%0.00918%0.177CC..Hα-helixtrans-57.1-45.1177.4-179.8-113.6000112L825 L833 Y846 I847 T850 L938 V941 A942L825-F829 WeakPolarHBondContact O-CB 3.46Å; L825-F829 PolarHBondContact O-N 3.34Å; F829-L833 HydrophobicContact CE1-CD2 4.07Å; F829-L833 HydrophobicContact CZ-CD2 4.01Å; F829-L833 WeakPolarHBondContact O-CB 3.36Å; F829-L833 PolarHBondContact O-N 2.78Å; F829-Y846 WeakPolarHBondContact CA-OH 3.4Å; F829-Y846 AromaticContact CD2-CE1 3.66Å; F829-Y846 HydrophobicContact CD2-CE1 3.66Å; F829-Y846 AromaticContact CD2-CZ 3.95Å; F829-Y846 HydrophobicContact CE2-CD1 4.39Å; F829-Y846 AromaticContact CE2-CE1 3.77Å; F829-Y846 HydrophobicContact CE2-CE1 3.77Å; F829-I847 HydrophobicContact CE2-CG1 4.06Å; F829-I847 HydrophobicContact CZ-CG1 3.97Å; F829-I847 HydrophobicContact CZ-CG2 4.38Å; F829-T850 HydrophobicContact CD2-CG2 3.83Å; F829-T850 HydrophobicContact CE2-CG2 4.27Å; F829-L938 HydrophobicContact CB-CD2 3.78Å; F829-L938 HydrophobicContact CD1-CB 4.42Å; F829-L938 HydrophobicContact CD1-CD2 3.66Å; F829-L938 HydrophobicContact CD2-CD2 4.11Å; F829-L938 HydrophobicContact CE1-CB 4.29Å; F829-L938 HydrophobicContact CE1-CD2 4.24Å; F829-L938 HydrophobicContact CG-CD2 3.58Å; F829-V941 HydrophobicContact CD1-CB 3.91Å; F829-V941 HydrophobicContact CD1-CG1 3.6Å; F829-V941 HydrophobicContact CE1-CB 4.18Å; F829-V941 HydrophobicContact CE1-CG1 3.96Å; F829-A942 HydrophobicContact CE1-CB 4.18Å; F829-A942 HydrophobicContact CZ-CB 4.45Å
830Q97.9Very high96.1Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-62.9-47.2177.3-175.6167.770.100112.1F812 E816 T817 A826 Q827 Q828 Y834 V941F812-Q830 HydrophobicContact CE1-CG 3.97Å; E816-Q830 PolarHBondContact OE2-NE2 3.01Å; T817-Q830 WeakPolarHBondContact OG1-CB 3.27Å; T817-Q830 WeakPolarHBondContact OG1-CG 3.43Å; T817-Q830 PolarHBondContact OG1-OE1 3.19Å; A826-Q830 VanDerWaalsContact O-CB 3.28Å; A826-Q830 WeakPolarHBondContact O-CB 3.33Å; A826-Q830 PolarHBondContact O-N 3.37Å; Q827-Q830 PolarHBondContact O-N 3.49Å; Q828-Q830 VanDerWaalsContact C-N 3.3Å; Q828-Q830 PolarHBondContact O-N 3.08Å; Q830-Y834 HydrophobicContact CG-CD2 3.87Å; Q830-Y834 HydrophobicContact CG-CE1 4.41Å; Q830-Y834 HydrophobicContact CG-CE2 3.73Å; Q830-Y834 HydrophobicContact CG-CG 4.3Å; Q830-Y834 WeakPolarHBondContact O-CB 3.47Å; Q830-Y834 WeakPolarHBondContact O-CD2 3.42Å; Q830-Y834 PolarHBondContact O-N 3.2Å; Q830-V941 HydrophobicContact CB-CG1 3.47Å; Q830-V941 VanDerWaalsContact CB-CG1 3.47Å; Q830-V941 HydrophobicContact CB-CG2 4.32Å; Q830-V941 HydrophobicContact CG-CG1 3.88Å
831Q96.8Very high96.6Very high81 Ų8137.2 Ų37.238%0.37918%0.176SC..Hα-helixtrans-58.6-51.4179.5-72.2173.5-4100111.4M810 F812 T817 Q827 Q828 L835M810-Q831 HydrophobicContact CE-CB 4.15Å; M810-Q831 WeakPolarHBondContact CE-O 3.35Å; F812-Q831 HydrophobicContact CE2-CG 4.03Å; F812-Q831 HydrophobicContact CZ-CG 4.23Å; T817-Q831 HydrophobicContact CG2-CG 3.49Å; T817-Q831 VanDerWaalsContact CG2-CG 3.49Å; Q827-Q831 WeakPolarHBondContact O-CG 3.3Å; Q827-Q831 PolarHBondContact O-N 3.19Å; Q827-Q831 VanDerWaalsContact O-N 3.07Å; Q828-Q831 PolarHBondContact O-N 2.87Å; Q831-L835 VanDerWaalsContact O-CB 3.31Å; Q831-L835 WeakPolarHBondContact O-CB 3.41Å; Q831-L835 PolarHBondContact O-N 2.9Å
832E97.6Very high96.9Very high54 Ų5441.4 Ų41.425%0.25221%0.205SC..Hα-helixtrans-68.5-39.8-176.1-78.6-162.5-135.900113.5Q828 R836 Y846Q828-E832 HydrophobicContact CG-CG 4.4Å; Q828-E832 WeakPolarHBondContact CG-OE1 3.25Å; Q828-E832 PolarHBondContact NE2-OE1 3.49Å; Q828-E832 WeakPolarHBondContact O-CB 3.29Å; Q828-E832 PolarHBondContact O-N 2.82Å; E832-R836 WeakPolarHBondContact O-CG 3.4Å; E832-R836 PolarHBondContact O-N 2.91Å; E832-R836 PolarHBondContact O-NH1 2.89Å; E832-R836 IonicContact OE2-CZ 2.89Å; E832-R836 IonicContact OE2-NH1 3.41Å; E832-R836 PolarHBondContact OE2-NH1 3.14Å; E832-R836 IonicContact OE2-NH2 3.05Å; E832-R836 PolarHBondContact OE2-NH2 3.06Å; E832-Y846 HydrophobicContact CB-CE1 3.92Å; E832-Y846 HydrophobicContact CB-CE2 4.11Å; E832-Y846 VanDerWaalsContact CB-CZ 3.49Å; E832-Y846 WeakPolarHBondContact CB-OH 3.49Å; E832-Y846 WeakPolarHBondContact OE2-CE2 3.39Å
833L97.8Very high97Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-65.6-47.2176176.857.8000111F829 L835 R836 I837 Y843 Y846 I847 A942 I945F829-L833 HydrophobicContact CE1-CD2 4.07Å; F829-L833 HydrophobicContact CZ-CD2 4.01Å; F829-L833 WeakPolarHBondContact O-CB 3.36Å; F829-L833 PolarHBondContact O-N 2.78Å; L833-L835 VanDerWaalsContact C-N 3.32Å; L833-L835 PolarHBondContact O-N 2.95Å; L833-R836 PolarHBondContact O-N 3.15Å; L833-I837 HydrophobicContact CD1-CD1 3.67Å; L833-I837 HydrophobicContact CD1-CG1 4.26Å; L833-I837 HydrophobicContact CG-CD1 3.94Å; L833-I837 WeakPolarHBondContact O-CG1 3.47Å; L833-I837 PolarHBondContact O-N 2.68Å; L833-Y843 HydrophobicContact CD1-CD2 4.08Å; L833-Y843 HydrophobicContact CD1-CG 4.08Å; L833-Y846 HydrophobicContact CB-CE1 4.23Å; L833-I847 HydrophobicContact CD1-CD1 3.83Å; L833-I847 HydrophobicContact CD1-CG1 4.07Å; L833-I847 HydrophobicContact CD2-CD1 4.28Å; L833-A942 HydrophobicContact CD2-CB 4.39Å; L833-I945 HydrophobicContact CD2-CG2 3.86Å; L833-I945 HydrophobicContact CG-CG2 4.2Å
834Y97.8Very high97Very high1 Ų145.2 Ų45.20%0.00422%0.223CC..Hα-helixtrans-66.5-37.8-178.7-80.5-138.1000111L783 A799 F812 L815 Q830 I837 F838 I945L783-Y834 HydrophobicContact CD2-CD1 4.11Å; L783-Y834 HydrophobicContact CD2-CE1 3.26Å; L783-Y834 WeakPolarHBondContact CD2-OH 3.32Å; A799-Y834 HydrophobicContact CB-CD1 3.68Å; A799-Y834 HydrophobicContact CB-CE1 3.8Å; F812-Y834 AromaticContact CE1-CD1 3.58Å; F812-Y834 HydrophobicContact CE1-CD1 3.58Å; F812-Y834 HydrophobicContact CE1-CE1 4.11Å; F812-Y834 HydrophobicContact CE1-CG 4.04Å; F812-Y834 HydrophobicContact CZ-CD1 4.23Å; F812-Y834 HydrophobicContact CZ-CG 4.38Å; L815-Y834 HydrophobicContact CD1-CE1 3.96Å; Q830-Y834 HydrophobicContact CG-CD2 3.87Å; Q830-Y834 HydrophobicContact CG-CE1 4.41Å; Q830-Y834 HydrophobicContact CG-CE2 3.73Å; Q830-Y834 HydrophobicContact CG-CG 4.3Å; Q830-Y834 WeakPolarHBondContact O-CB 3.47Å; Q830-Y834 WeakPolarHBondContact O-CD2 3.42Å; Q830-Y834 PolarHBondContact O-N 3.2Å; Y834-I837 PolarHBondContact O-N 3.2Å; Y834-F838 HydrophobicContact CD1-CE2 4.3Å; Y834-F838 HydrophobicContact CD1-CZ 4.36Å; Y834-F838 VanDerWaalsContact O-CB 3.32Å; Y834-F838 WeakPolarHBondContact O-CB 3.44Å; Y834-F838 VanDerWaalsContact O-CD2 3.25Å; Y834-F838 WeakPolarHBondContact O-CD2 3.45Å; Y834-F838 VanDerWaalsContact O-CG 3.25Å; Y834-F838 WeakPolarHBondContact O-CG 3.4Å; Y834-F838 PolarHBondContact O-N 2.83Å; Y834-I945 HydrophobicContact CD1-CD1 4Å; Y834-I945 HydrophobicContact CD2-CB 4.34Å; Y834-I945 HydrophobicContact CD2-CD1 3.65Å; Y834-I945 HydrophobicContact CD2-CG2 4.06Å; Y834-I945 HydrophobicContact CE1-CD1 4.17Å; Y834-I945 HydrophobicContact CE2-CB 3.7Å; Y834-I945 HydrophobicContact CE2-CD1 3.82Å; Y834-I945 HydrophobicContact CE2-CG1 4.35Å; Y834-I945 HydrophobicContact CE2-CG2 3.6Å; Y834-I945 HydrophobicContact CG-CD1 3.74Å
835L97.5Very high96.9Very high40 Ų4048 Ų4821%0.20923%0.232CC..Hα-helixtrans-60.4-47.4176.1-173.660.5000111.4L801 M810 Q831 L833 F838 R839L801-L835 HydrophobicContact CD1-CD1 4.18Å; M810-L835 HydrophobicContact CE-CB 3.81Å; M810-L835 HydrophobicContact CE-CD1 4.18Å; M810-L835 HydrophobicContact CE-CD2 4.42Å; M810-L835 HydrophobicContact CE-CG 4.36Å; M810-L835 HydrophobicContact CG-CD1 4.18Å; M810-L835 HydrophobicContact SD-CB 3.74Å; M810-L835 HydrophobicContact SD-CD1 4.01Å; M810-L835 HydrophobicContact SD-CG 4.45Å; Q831-L835 VanDerWaalsContact O-CB 3.31Å; Q831-L835 WeakPolarHBondContact O-CB 3.41Å; Q831-L835 PolarHBondContact O-N 2.9Å; L833-L835 VanDerWaalsContact C-N 3.32Å; L833-L835 PolarHBondContact O-N 2.95Å; L835-F838 PolarHBondContact O-N 3.3Å; L835-R839 HydrophobicContact CD1-CG 4.46Å; L835-R839 WeakPolarHBondContact O-CB 3.33Å; L835-R839 WeakPolarHBondContact O-CG 3.47Å; L835-R839 PolarHBondContact O-N 2.98Å
836R97.9Very high96.8Very high58 Ų5849.1 Ų49.122%0.21924%0.236CC..Hα-helixtrans-60.5-48.5177.8-74.9170.4-179.974.2-11.2111.1E832 L833 F838 R839 N840 E841E832-R836 WeakPolarHBondContact O-CG 3.4Å; E832-R836 PolarHBondContact O-N 2.91Å; E832-R836 PolarHBondContact O-NH1 2.89Å; E832-R836 IonicContact OE2-CZ 2.89Å; E832-R836 IonicContact OE2-NH1 3.41Å; E832-R836 PolarHBondContact OE2-NH1 3.14Å; E832-R836 IonicContact OE2-NH2 3.05Å; E832-R836 PolarHBondContact OE2-NH2 3.06Å; L833-R836 PolarHBondContact O-N 3.15Å; R836-F838 PolarHBondContact O-N 3.25Å; R836-R839 CarbonylContact O-C 3.55Å; R836-R839 PolarHBondContact O-N 3.45Å; R836-N840 PolarHBondContact O-N 3.27Å; R836-E841 HydrophobicContact CB-CB 4.09Å; R836-E841 HydrophobicContact CG-CB 4.24Å; R836-E841 WeakPolarHBondContact CG-OE2 3.49Å; R836-E841 PolarHBondContact O-N 2.75Å
837I97.2Very high96.7Very high4 Ų449.1 Ų49.12%0.02124%0.236CC..Hα-helixtrans-64.4-39.8179.1-69169.7000111.9L592 L833 Y834 R839 N840 Y843 I945 L946 I949L592-I837 HydrophobicContact CD2-CG2 3.8Å; L833-I837 HydrophobicContact CD1-CD1 3.67Å; L833-I837 HydrophobicContact CD1-CG1 4.26Å; L833-I837 HydrophobicContact CG-CD1 3.94Å; L833-I837 WeakPolarHBondContact O-CG1 3.47Å; L833-I837 PolarHBondContact O-N 2.68Å; Y834-I837 PolarHBondContact O-N 3.2Å; I837-R839 VanDerWaalsContact C-N 3.3Å; I837-R839 PolarHBondContact O-N 2.78Å; I837-N840 PolarHBondContact O-N 3.03Å; I837-Y843 HydrophobicContact CD1-CD1 4.42Å; I837-Y843 HydrophobicContact CD1-CG 4.43Å; I837-Y843 HydrophobicContact CG1-CD1 3.78Å; I837-Y843 HydrophobicContact CG1-CE1 4.25Å; I837-Y843 HydrophobicContact CG1-CG 4.1Å; I837-I945 HydrophobicContact CB-CD1 3.99Å; I837-I945 HydrophobicContact CD1-CB 4.45Å; I837-I945 HydrophobicContact CD1-CD1 3.75Å; I837-I945 HydrophobicContact CD1-CG1 3.89Å; I837-I945 HydrophobicContact CD1-CG2 3.75Å; I837-I945 HydrophobicContact CG1-CD1 4.47Å; I837-I945 HydrophobicContact CG2-CD1 3.8Å; I837-I945 HydrophobicContact CG2-CG1 4.23Å; I837-L946 HydrophobicContact CD1-CD2 4.09Å; I837-I949 HydrophobicContact CD1-CD1 3.64Å; I837-I949 HydrophobicContact CG1-CD1 3.85Å; I837-I949 HydrophobicContact CG2-CD1 4.22Å; I837-I949 HydrophobicContact CG2-CG2 4.34Å
838F96.5Very high96.6Very high3 Ų350.6 Ų50.61%0.01324%0.24CC..Hα-helixtrans-65.4-35.1175.7-72.3-34.2000112.2L592 R781 L783 A799 L801 M810 Y834 L835 R836 N840L592-F838 HydrophobicContact CD1-CD1 3.92Å; L592-F838 HydrophobicContact CD1-CE1 3.68Å; R781-F838 HydrophobicContact CB-CB 4.04Å; R781-F838 HydrophobicContact CB-CD1 3.61Å; R781-F838 HydrophobicContact CB-CE1 4.25Å; R781-F838 HydrophobicContact CB-CG 3.96Å; R781-F838 HydrophobicContact CG-CB 4.31Å; R781-F838 WeakPolarHBondContact CG-O 3.37Å; R781-F838 PolarHBondContact NE-O 3.29Å; L783-F838 HydrophobicContact CB-CE1 3.95Å; L783-F838 HydrophobicContact CB-CZ 3.86Å; A799-F838 HydrophobicContact CB-CE2 4.17Å; A799-F838 HydrophobicContact CB-CZ 4.05Å; L801-F838 HydrophobicContact CB-CB 4.33Å; L801-F838 HydrophobicContact CB-CD2 4.2Å; L801-F838 HydrophobicContact CB-CG 4.38Å; L801-F838 HydrophobicContact CD2-CB 4.12Å; M810-F838 HydrophobicContact SD-CD2 4.41Å; Y834-F838 HydrophobicContact CD1-CE2 4.3Å; Y834-F838 HydrophobicContact CD1-CZ 4.36Å; Y834-F838 VanDerWaalsContact O-CB 3.32Å; Y834-F838 WeakPolarHBondContact O-CB 3.44Å; Y834-F838 VanDerWaalsContact O-CD2 3.25Å; Y834-F838 WeakPolarHBondContact O-CD2 3.45Å; Y834-F838 VanDerWaalsContact O-CG 3.25Å; Y834-F838 WeakPolarHBondContact O-CG 3.4Å; Y834-F838 PolarHBondContact O-N 2.83Å; L835-F838 PolarHBondContact O-N 3.3Å; R836-F838 PolarHBondContact O-N 3.25Å; F838-N840 VanDerWaalsContact C-N 3.28Å; F838-N840 PolarHBondContact O-N 2.72Å
839R95.4Very high96.6Very high107 Ų10752 Ų5240%0.40425%0.246SC..THydrogen-bonded Turntrans-82.1-0.1175.1-69.6-178.7172.5173.5-4114.5Q808 L835 R836 I837 E841Q808-R839 VanDerWaalsContact OE1-NH2 3.11Å; L835-R839 HydrophobicContact CD1-CG 4.46Å; L835-R839 WeakPolarHBondContact O-CB 3.33Å; L835-R839 WeakPolarHBondContact O-CG 3.47Å; L835-R839 PolarHBondContact O-N 2.98Å; R836-R839 CarbonylContact O-C 3.55Å; R836-R839 PolarHBondContact O-N 3.45Å; I837-R839 VanDerWaalsContact C-N 3.3Å; I837-R839 PolarHBondContact O-N 2.78Å; R839-E841 HydrophobicContact CB-CG 3.73Å; R839-E841 WeakPolarHBondContact CD-OE1 3.45Å; R839-E841 IonicContact NH1-OE1 2.81Å; R839-E841 PolarHBondContact O-N 2.83Å
840N95.1Very high96.5Very high126 Ų12652.5 Ų52.567%0.67425%0.25SC*.THydrogen-bonded Turntrans55.533.7-171.6-53.9-61.1000112.9R781 R836 I837 F838R781-N840 PolarHBondContact NH2-OD1 2.76Å; R836-N840 PolarHBondContact O-N 3.27Å; I837-N840 PolarHBondContact O-N 3.03Å; F838-N840 VanDerWaalsContact C-N 3.28Å; F838-N840 PolarHBondContact O-N 2.72Å
841E97.1Very high96.4Very high76 Ų7652.9 Ų52.936%0.35525%0.251SS..  trans-86.2154.2174.8-67.3168178.200111.1R836 R839 Y843R836-E841 HydrophobicContact CB-CB 4.09Å; R836-E841 HydrophobicContact CG-CB 4.24Å; R836-E841 WeakPolarHBondContact CG-OE2 3.49Å; R836-E841 PolarHBondContact O-N 2.75Å; R839-E841 HydrophobicContact CB-CG 3.73Å; R839-E841 WeakPolarHBondContact CD-OE1 3.45Å; R839-E841 IonicContact NH1-OE1 2.81Å; R839-E841 PolarHBondContact O-N 2.83Å; E841-Y843 PolarHBondContact O-N 2.96Å
842P96.7Very high96.3Very high121 Ų12152.6 Ų52.679%0.78625%0.253SS*.  trans-60.2132.6172.6-2233.4000112.4
843Y96.7Very high96.3Very high32 Ų3253.5 Ų53.513%0.12526%0.255CS..  trans-123.4-19.9-177.259.2-92.5000114.4L833 I837 E841 E845 Y846 I847 L946 I949 D951L833-Y843 HydrophobicContact CD1-CD2 4.08Å; L833-Y843 HydrophobicContact CD1-CG 4.08Å; I837-Y843 HydrophobicContact CD1-CD1 4.42Å; I837-Y843 HydrophobicContact CD1-CG 4.43Å; I837-Y843 HydrophobicContact CG1-CD1 3.78Å; I837-Y843 HydrophobicContact CG1-CE1 4.25Å; I837-Y843 HydrophobicContact CG1-CG 4.1Å; E841-Y843 PolarHBondContact O-N 2.96Å; Y843-E845 VanDerWaalsContact C-N 3.33Å; Y843-E845 PolarHBondContact O-N 2.95Å; Y843-Y846 WeakPolarHBondContact O-CB 3.26Å; Y843-Y846 PolarHBondContact O-N 2.94Å; Y843-I847 HydrophobicContact CD2-CD1 3.81Å; Y843-I847 HydrophobicContact CE2-CD1 4.41Å; Y843-I847 WeakPolarHBondContact O-CG1 3.46Å; Y843-I847 PolarHBondContact O-N 3.04Å; Y843-L946 HydrophobicContact CD2-CD2 3.89Å; Y843-L946 HydrophobicContact CE2-CD2 3.45Å; Y843-L946 VanDerWaalsContact CE2-CD2 3.45Å; Y843-I949 HydrophobicContact CD1-CD1 4.25Å; Y843-I949 HydrophobicContact CE1-CD1 3.38Å; Y843-I949 HydrophobicContact CE2-CD1 4.16Å; Y843-I949 WeakPolarHBondContact OH-CD1 3.19Å; Y843-D951 HydrophobicContact CE2-CB 4.45Å; Y843-D951 VanDerWaalsContact CE2-OD2 3.3Å; Y843-D951 WeakPolarHBondContact CE2-OD2 3.21Å; Y843-D951 VanDerWaalsContact OH-CB 3.26Å; Y843-D951 WeakPolarHBondContact OH-CB 3.41Å; Y843-D951 PolarHBondContact OH-OD2 3.21Å
844Q95.4Very high96.3Very high81 Ų8153.5 Ų53.538%0.37926%0.255SS..Hα-helixtrans-59.6-42.2-174.3-66.6-176-2300112.5I847 R848 D951 L956Q844-I847 PolarHBondContact O-N 3.33Å; Q844-R848 PolarHBondContact O-N 3.33Å; Q844-D951 PolarHBondContact NE2-OD2 2.89Å; Q844-L956 HydrophobicContact CB-CD2 4.01Å; Q844-L956 HydrophobicContact CG-CD1 4.49Å; Q844-L956 HydrophobicContact CG-CD2 3.78Å
845E94.3Very high96.2Very high116 Ų11657.8 Ų57.854%0.54228%0.277SS..Hα-helixtrans-65.3-41.9177.7-166.359.1-158.400112Y843 I847 R848 E849Y843-E845 VanDerWaalsContact C-N 3.33Å; Y843-E845 PolarHBondContact O-N 2.95Å; E845-I847 VanDerWaalsContact C-N 3.31Å; E845-I847 PolarHBondContact O-N 3.26Å; E845-R848 PolarHBondContact O-N 2.92Å; E845-R848 IonicContact OE2-CZ 2.79Å; E845-R848 IonicContact OE2-NE 2.68Å; E845-R848 PolarHBondContact OE2-NE 3.16Å; E845-R848 IonicContact OE2-NH2 3.27Å; E845-R848 PolarHBondContact OE2-NH2 2.91Å; E845-E849 VanDerWaalsContact O-CB 3.3Å; E845-E849 WeakPolarHBondContact O-CB 3.49Å; E845-E849 PolarHBondContact O-N 3.01Å
846Y96.7Very high96.1Very high25 Ų2559 Ų5910%0.09829%0.292CS..Hα-helixtrans-60.4-40.2175.1166.9-102.9000112.2F829 E832 L833 Y843 T850F829-Y846 WeakPolarHBondContact CA-OH 3.4Å; F829-Y846 AromaticContact CD2-CE1 3.66Å; F829-Y846 HydrophobicContact CD2-CE1 3.66Å; F829-Y846 AromaticContact CD2-CZ 3.95Å; F829-Y846 HydrophobicContact CE2-CD1 4.39Å; F829-Y846 AromaticContact CE2-CE1 3.77Å; F829-Y846 HydrophobicContact CE2-CE1 3.77Å; E832-Y846 HydrophobicContact CB-CE1 3.92Å; E832-Y846 HydrophobicContact CB-CE2 4.11Å; E832-Y846 VanDerWaalsContact CB-CZ 3.49Å; E832-Y846 WeakPolarHBondContact CB-OH 3.49Å; E832-Y846 WeakPolarHBondContact OE2-CE2 3.39Å; L833-Y846 HydrophobicContact CB-CE1 4.23Å; Y843-Y846 WeakPolarHBondContact O-CB 3.26Å; Y843-Y846 PolarHBondContact O-N 2.94Å; Y846-T850 WeakPolarHBondContact O-CB 3.1Å; Y846-T850 PolarHBondContact O-N 2.91Å; Y846-T850 PolarHBondContact O-OG1 3.13Å
847I95.9Very high96Very high0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-62.7-51.4175.3-66.1179.6000110.2F829 L833 Y843 Q844 E845 E849 T850 I851 L946 F953 L956F829-I847 HydrophobicContact CE2-CG1 4.06Å; F829-I847 HydrophobicContact CZ-CG1 3.97Å; F829-I847 HydrophobicContact CZ-CG2 4.38Å; L833-I847 HydrophobicContact CD1-CD1 3.83Å; L833-I847 HydrophobicContact CD1-CG1 4.07Å; L833-I847 HydrophobicContact CD2-CD1 4.28Å; Y843-I847 HydrophobicContact CD2-CD1 3.81Å; Y843-I847 HydrophobicContact CE2-CD1 4.41Å; Y843-I847 WeakPolarHBondContact O-CG1 3.46Å; Y843-I847 PolarHBondContact O-N 3.04Å; Q844-I847 PolarHBondContact O-N 3.33Å; E845-I847 VanDerWaalsContact C-N 3.31Å; E845-I847 PolarHBondContact O-N 3.26Å; I847-E849 PolarHBondContact O-N 3.43Å; I847-T850 PolarHBondContact O-N 2.96Å; I847-I851 HydrophobicContact CG2-CD1 3.82Å; I847-I851 HydrophobicContact CG2-CG1 4.48Å; I847-I851 VanDerWaalsContact O-CG1 3.31Å; I847-I851 WeakPolarHBondContact O-CG1 3.41Å; I847-I851 PolarHBondContact O-N 2.9Å; I847-L946 HydrophobicContact CD1-CD1 3.99Å; I847-L946 HydrophobicContact CD1-CD2 4.1Å; I847-F953 HydrophobicContact CG2-CD2 4.16Å; I847-F953 HydrophobicContact CG2-CE2 3.78Å; I847-L956 HydrophobicContact CD1-CD1 3.83Å; I847-L956 HydrophobicContact CG2-CD1 4.29Å
848R94.3Very high96Very high78 Ų7863.2 Ų63.229%0.29432%0.32SS..Hα-helixtrans-59-45.9179.3-75.6-169-68.8-129.6-0.3112.6Q844 E845 T850 I851 D852 Q960Q844-R848 PolarHBondContact O-N 3.33Å; E845-R848 PolarHBondContact O-N 2.92Å; E845-R848 IonicContact OE2-CZ 2.79Å; E845-R848 IonicContact OE2-NE 2.68Å; E845-R848 PolarHBondContact OE2-NE 3.16Å; E845-R848 IonicContact OE2-NH2 3.27Å; E845-R848 PolarHBondContact OE2-NH2 2.91Å; R848-T850 VanDerWaalsContact C-N 3.33Å; R848-T850 PolarHBondContact O-N 3.27Å; R848-I851 PolarHBondContact O-N 3.12Å; R848-D852 PolarHBondContact O-N 3.45Å; R848-Q960 PolarHBondContact O-NE2 3.12Å
849E95.7Very high96Very high87 Ų8763.9 Ų63.941%0.40732%0.323SS..Hα-helixtrans-62.5-41.1177.6-171.8-171.4167.100111.3E845 I847 I851 D852 K853E845-E849 VanDerWaalsContact O-CB 3.3Å; E845-E849 WeakPolarHBondContact O-CB 3.49Å; E845-E849 PolarHBondContact O-N 3.01Å; I847-E849 PolarHBondContact O-N 3.43Å; E849-I851 VanDerWaalsContact C-N 3.34Å; E849-I851 PolarHBondContact O-N 2.79Å; E849-D852 PolarHBondContact O-N 3.49Å; E849-K853 HydrophobicContact CG-CD 4.17Å; E849-K853 WeakPolarHBondContact O-CB 3.33Å; E849-K853 VanDerWaalsContact O-CG 3.23Å; E849-K853 WeakPolarHBondContact O-CG 3.18Å; E849-K853 PolarHBondContact O-N 3.36Å; E849-K853 WeakPolarHBondContact OE1-CE 3.41Å; E849-K853 IonicContact OE1-NZ 2.66Å; E849-K853 PolarHBondContact OE1-NZ 3.04Å
850T97Very high96Very high13 Ų1362 Ų628%0.0832%0.321CS..Hα-helixtrans-65.4-39.4177.1-57.70000111.6F829 Y846 I847 R848 L854 L859 L938F829-T850 HydrophobicContact CD2-CG2 3.83Å; F829-T850 HydrophobicContact CE2-CG2 4.27Å; Y846-T850 WeakPolarHBondContact O-CB 3.1Å; Y846-T850 PolarHBondContact O-N 2.91Å; Y846-T850 PolarHBondContact O-OG1 3.13Å; I847-T850 PolarHBondContact O-N 2.96Å; R848-T850 VanDerWaalsContact C-N 3.33Å; R848-T850 PolarHBondContact O-N 3.27Å; T850-L854 WeakPolarHBondContact O-CB 3.47Å; T850-L854 PolarHBondContact O-N 3.3Å; T850-L859 HydrophobicContact CG2-CD1 4.27Å; T850-L938 HydrophobicContact CG2-CD1 4.14Å; T850-L938 HydrophobicContact CG2-CD2 4.27Å
851I95.6Very high95.9Very high7 Ų760.5 Ų60.54%0.03633%0.327CS..Hα-helixtrans-64.9-49175.9-67.3169.9000110I847 R848 E849 K853 L854 M855 L934 L938 F953 M957I847-I851 HydrophobicContact CG2-CD1 3.82Å; I847-I851 HydrophobicContact CG2-CG1 4.48Å; I847-I851 VanDerWaalsContact O-CG1 3.31Å; I847-I851 WeakPolarHBondContact O-CG1 3.41Å; I847-I851 PolarHBondContact O-N 2.9Å; R848-I851 PolarHBondContact O-N 3.12Å; E849-I851 VanDerWaalsContact C-N 3.34Å; E849-I851 PolarHBondContact O-N 2.79Å; I851-K853 PolarHBondContact O-N 3.5Å; I851-L854 WeakPolarHBondContact O-CB 3.48Å; I851-L854 PolarHBondContact O-N 3.43Å; I851-L854 VanDerWaalsContact O-N 3.15Å; I851-M855 HydrophobicContact CG2-CG 4.22Å; I851-M855 VanDerWaalsContact O-CG 3.31Å; I851-M855 WeakPolarHBondContact O-CG 3.39Å; I851-M855 PolarHBondContact O-N 3.01Å; I851-L934 HydrophobicContact CB-CD1 4.42Å; I851-L934 HydrophobicContact CD1-CD1 4.16Å; I851-L934 HydrophobicContact CG1-CD1 3.78Å; I851-L934 HydrophobicContact CG2-CD1 3.96Å; I851-L938 HydrophobicContact CG1-CD1 4.26Å; I851-F953 HydrophobicContact CD1-CE2 3.85Å; I851-F953 HydrophobicContact CD1-CZ 3.69Å; I851-F953 HydrophobicContact CG1-CZ 4.34Å; I851-M957 HydrophobicContact CD1-CG 4.16Å; I851-M957 HydrophobicContact CD1-SD 4.21Å
852D95.1Very high95.9Very high76 Ų7661 Ų6141%0.40633%0.325SS..Hα-helixtrans-59-47.5179-81.8-13.3000111.7R848 E849 L854 M855 A856 Q960R848-D852 PolarHBondContact O-N 3.45Å; E849-D852 PolarHBondContact O-N 3.49Å; D852-L854 VanDerWaalsContact C-N 3.29Å; D852-L854 PolarHBondContact O-N 3.17Å; D852-M855 PolarHBondContact O-N 3.5Å; D852-A856 VanDerWaalsContact O-CB 3.22Å; D852-A856 WeakPolarHBondContact O-CB 3.39Å; D852-A856 PolarHBondContact O-N 3.02Å; D852-Q960 VanDerWaalsContact OD1-CD 3.31Å; D852-Q960 PolarHBondContact OD1-NE2 3.03Å; D852-Q960 PolarHBondContact OD2-NE2 3.13Å
853K97.3Very high95.9Very high72 Ų7255.2 Ų55.231%0.31329%0.288SS..Hα-helixtrans-61.2-37177.2-72.4-180167.4170.30112.5E849 I851 G857 E858 L859E849-K853 HydrophobicContact CG-CD 4.17Å; E849-K853 WeakPolarHBondContact O-CB 3.33Å; E849-K853 VanDerWaalsContact O-CG 3.23Å; E849-K853 WeakPolarHBondContact O-CG 3.18Å; E849-K853 PolarHBondContact O-N 3.36Å; E849-K853 WeakPolarHBondContact OE1-CE 3.41Å; E849-K853 IonicContact OE1-NZ 2.66Å; E849-K853 PolarHBondContact OE1-NZ 3.04Å; I851-K853 PolarHBondContact O-N 3.5Å; K853-G857 PolarHBondContact O-N 3.09Å; K853-E858 HydrophobicContact CB-CB 4.27Å; K853-E858 WeakPolarHBondContact CG-OE2 3.44Å; K853-E858 WeakPolarHBondContact O-CB 3.42Å; K853-E858 PolarHBondContact O-N 2.84Å; K853-L859 HydrophobicContact CB-CD1 3.84Å; K853-L859 HydrophobicContact CB-CD2 4.27Å; K853-L859 HydrophobicContact CB-CG 3.84Å
854L97.2Very high95.9Very high0 Ų055.3 Ų55.30%029%0.292CS..Hα-helixtrans-64.9-50.5173.8174.764000110.9L825 T850 I851 D852 A856 G857 L859 L863 Y930 L934 L938L825-L854 HydrophobicContact CD2-CD1 3.96Å; L825-L854 HydrophobicContact CD2-CD2 4.2Å; T850-L854 WeakPolarHBondContact O-CB 3.47Å; T850-L854 PolarHBondContact O-N 3.3Å; I851-L854 WeakPolarHBondContact O-CB 3.48Å; I851-L854 PolarHBondContact O-N 3.43Å; I851-L854 VanDerWaalsContact O-N 3.15Å; D852-L854 VanDerWaalsContact C-N 3.29Å; D852-L854 PolarHBondContact O-N 3.17Å; L854-A856 VanDerWaalsContact C-N 3.27Å; L854-A856 PolarHBondContact O-N 3.08Å; L854-G857 PolarHBondContact O-N 3.3Å; L854-G857 VanDerWaalsContact O-N 3.07Å; L854-L859 HydrophobicContact CB-CD1 4.25Å; L854-L863 HydrophobicContact CD1-CD1 4.31Å; L854-L863 HydrophobicContact CD1-CD2 3.79Å; L854-Y930 HydrophobicContact CD1-CD1 3.93Å; L854-Y930 HydrophobicContact CG-CD1 4.41Å; L854-Y930 WeakPolarHBondContact O-CD1 3.28Å; L854-L934 HydrophobicContact CD2-CB 4.13Å; L854-L938 HydrophobicContact CD2-CD1 3.63Å; L854-L938 HydrophobicContact CD2-CG 4.27Å
855M95.2Very high96Very high91 Ų9152.1 Ų52.145%0.44828%0.276SS..Hα-helixtrans-69.4-25.8-176.2-62.8-55.5-67.800112.7I851 D852 G857 L934I851-M855 HydrophobicContact CG2-CG 4.22Å; I851-M855 VanDerWaalsContact O-CG 3.31Å; I851-M855 WeakPolarHBondContact O-CG 3.39Å; I851-M855 PolarHBondContact O-N 3.01Å; D852-M855 PolarHBondContact O-N 3.5Å; M855-G857 VanDerWaalsContact C-N 3.3Å; M855-L934 HydrophobicContact SD-CD2 4.11Å
856A95.9Very high95.9Very high65 Ų6550.1 Ų50.154%0.53726%0.264SS..THydrogen-bonded Turntrans-81.3-3.2172.500000113.9D852 L854 E858D852-A856 VanDerWaalsContact O-CB 3.22Å; D852-A856 WeakPolarHBondContact O-CB 3.39Å; D852-A856 PolarHBondContact O-N 3.02Å; L854-A856 VanDerWaalsContact C-N 3.27Å; L854-A856 PolarHBondContact O-N 3.08Å; A856-E858 VanDerWaalsContact C-N 3.33Å; A856-E858 HydrophobicContact CB-CG 4.07Å; A856-E858 PolarHBondContact O-N 3.32Å
857G95.1Very high95.8Very high20 Ų2052.1 Ų52.121%0.20627%0.273CS..THydrogen-bonded Turntrans75.515.8-18000000115K853 L854 M855 L859 Y930K853-G857 PolarHBondContact O-N 3.09Å; L854-G857 PolarHBondContact O-N 3.3Å; L854-G857 VanDerWaalsContact O-N 3.07Å; M855-G857 VanDerWaalsContact C-N 3.3Å; G857-L859 PolarHBondContact O-N 3.24Å; G857-Y930 WeakPolarHBondContact CA-OH 3.25Å
858E97.1Very high95.6Very high132 Ų13259.5 Ų59.562%0.61730%0.301SS*.THydrogen-bonded Turntrans-79.4-8.8-178.1-59.3-179.6-168.300112.8K853 A856K853-E858 HydrophobicContact CB-CB 4.27Å; K853-E858 WeakPolarHBondContact CG-OE2 3.44Å; K853-E858 WeakPolarHBondContact O-CB 3.42Å; K853-E858 PolarHBondContact O-N 2.84Å; A856-E858 VanDerWaalsContact C-N 3.33Å; A856-E858 HydrophobicContact CB-CG 4.07Å; A856-E858 PolarHBondContact O-N 3.32Å
859L97.2Very high95.5Very high16 Ų1656 Ų568%0.08429%0.288CS..THydrogen-bonded Turntrans-114.214.9-174.7-58.3-178.5000114.1L825 T850 K853 L854 G857 A861 R862L825-L859 HydrophobicContact CD1-CD1 3.81Å; T850-L859 HydrophobicContact CG2-CD1 4.27Å; K853-L859 HydrophobicContact CB-CD1 3.84Å; K853-L859 HydrophobicContact CB-CD2 4.27Å; K853-L859 HydrophobicContact CB-CG 3.84Å; L854-L859 HydrophobicContact CB-CD1 4.25Å; G857-L859 PolarHBondContact O-N 3.24Å; L859-A861 VanDerWaalsContact C-N 3.26Å; L859-A861 PolarHBondContact O-N 3.21Å; L859-A861 VanDerWaalsContact O-N 3.14Å; L859-R862 WeakPolarHBondContact O-CB 3.38Å; L859-R862 PolarHBondContact O-N 2.77Å
860D96.2Very high95.2Very high68 Ų6861.7 Ų61.736%0.36431%0.306SS..G310 helixtrans-51.4-39.9-174.9-78.39.1000114.1R862 L863 L928 Y930D860-R862 PolarHBondContact O-N 3.18Å; D860-L863 WeakPolarHBondContact O-CB 3.41Å; D860-L863 WeakPolarHBondContact O-CG 3.36Å; D860-L863 PolarHBondContact O-N 3.07Å; D860-L863 VanDerWaalsContact O-N 3.1Å; D860-L928 HydrophobicContact CB-CD1 4.03Å; D860-L928 VanDerWaalsContact CG-CD1 3.42Å; D860-L928 WeakPolarHBondContact OD1-CD1 3.31Å; D860-L928 WeakPolarHBondContact OD2-CD1 3.27Å; D860-Y930 WeakPolarHBondContact OD1-CE1 3.05Å; D860-Y930 PolarHBondContact OD1-OH 3.43Å; D860-Y930 PolarHBondContact OD2-OH 2.73Å
861A93.2Very high94.8Very high95 Ų9566 Ų6679%0.78532%0.32SS*.G310 helixtrans-59.7-19.3178.600000113.6L859L859-A861 VanDerWaalsContact C-N 3.26Å; L859-A861 PolarHBondContact O-N 3.21Å; L859-A861 VanDerWaalsContact O-N 3.14Å
862R95.7Very high94.7Very high85 Ų8566.6 Ų66.632%0.32133%0.325SS..G310 helixtrans-973.7-177.3-55.5-174.1-177.7179.7-1.2113.4T823 P824 L825 L859 D860T823-R862 WeakPolarHBondContact CB-O 3.43Å; P824-R862 HydrophobicContact CB-CB 4.27Å; P824-R862 WeakPolarHBondContact CD-O 3.46Å; L825-R862 HydrophobicContact CB-CB 3.88Å; L825-R862 WeakPolarHBondContact CB-O 3.42Å; L825-R862 PolarHBondContact N-O 3.29Å; L859-R862 WeakPolarHBondContact O-CB 3.38Å; L859-R862 PolarHBondContact O-N 2.77Å; D860-R862 PolarHBondContact O-N 3.18Å
863L97.6Very high94.6Very high0 Ų063.4 Ų63.40%031%0.308CS..  trans-96.41.2-169.1-56.5-169.7000114.5L825 L854 D860 Y865 L928 Y930 Y933L825-L863 HydrophobicContact CB-CD2 4.21Å; L825-L863 HydrophobicContact CD2-CD2 3.6Å; L825-L863 HydrophobicContact CG-CD2 4.41Å; L854-L863 HydrophobicContact CD1-CD1 4.31Å; L854-L863 HydrophobicContact CD1-CD2 3.79Å; D860-L863 WeakPolarHBondContact O-CB 3.41Å; D860-L863 WeakPolarHBondContact O-CG 3.36Å; D860-L863 PolarHBondContact O-N 3.07Å; D860-L863 VanDerWaalsContact O-N 3.1Å; L863-Y865 PolarHBondContact O-N 3.34Å; L863-L928 HydrophobicContact CD1-CD1 3.75Å; L863-Y930 HydrophobicContact CD1-CD1 4.25Å; L863-Y930 HydrophobicContact CD1-CE1 3.95Å; L863-Y933 HydrophobicContact CB-CD1 4.28Å; L863-Y933 HydrophobicContact CB-CE1 3.69Å; L863-Y933 HydrophobicContact CB-CE2 4.09Å; L863-Y933 HydrophobicContact CD1-CD2 3.91Å; L863-Y933 HydrophobicContact CD1-CE2 3.88Å; L863-Y933 HydrophobicContact CD1-CG 4.35Å; L863-Y933 HydrophobicContact CD2-CD1 3.8Å; L863-Y933 HydrophobicContact CD2-CD2 4.29Å; L863-Y933 HydrophobicContact CD2-CE1 4.11Å; L863-Y933 HydrophobicContact CD2-CG 3.9Å; L863-Y933 HydrophobicContact CG-CD1 4.46Å; L863-Y933 HydrophobicContact CG-CD2 4.5Å; L863-Y933 HydrophobicContact CG-CE1 4.34Å; L863-Y933 HydrophobicContact CG-CE2 4.41Å; L863-Y933 VanDerWaalsContact O-CE1 3.23Å; L863-Y933 WeakPolarHBondContact O-CE1 3.46Å; L863-Y933 PolarHBondContact O-OH 2.98Å
864V96.3Very high94.4Very high35 Ų3564 Ų6421%0.21232%0.321CS..  trans-75.6122.4-176.8-176.40000111.2P824 K910 V912 L921P824-V864 WeakPolarHBondContact CD-O 3.21Å; V864-K910 HydrophobicContact CG1-CB 4Å; V864-K910 HydrophobicContact CG1-CG 4.36Å; V864-V912 HydrophobicContact CG2-CG1 4.36Å; V864-L921 HydrophobicContact CG1-CD2 4.08Å; V864-L921 HydrophobicContact CG2-CD1 4.13Å; V864-L921 HydrophobicContact CG2-CD2 4.01Å
865Y96.6Very high94.2Very high13 Ų1367.7 Ų67.75%0.05134%0.339CS..EExtended strand (participates in β ladder)trans-84.5146.2164.6-71.3-85.4000110.8T823 L863 K910 Y911 H932 Y933 Q937T823-Y865 HydrophobicContact CG2-CD1 3.77Å; T823-Y865 HydrophobicContact CG2-CD2 3.89Å; T823-Y865 HydrophobicContact CG2-CE1 3.63Å; T823-Y865 HydrophobicContact CG2-CE2 3.76Å; T823-Y865 HydrophobicContact CG2-CG 3.89Å; L863-Y865 PolarHBondContact O-N 3.34Å; Y865-K910 WeakPolarHBondContact O-CA 3.45Å; Y865-Y911 WeakPolarHBondContact CB-O 3.32Å; Y865-Y911 HydrophobicContact CD2-CD2 4.25Å; Y865-Y911 AromaticContact CD2-CE2 3.74Å; Y865-Y911 HydrophobicContact CD2-CE2 3.74Å; Y865-Y911 HydrophobicContact CG-CD2 4.48Å; Y865-Y911 HydrophobicContact CG-CE1 4.23Å; Y865-Y911 AromaticContact CG-CE2 3.81Å; Y865-Y911 HydrophobicContact CG-CE2 3.81Å; Y865-Y911 AromaticContact CG-CZ 3.67Å; Y865-Y911 PolarHBondContact N-O 2.89Å; Y865-Y911 PolarHBondContact O-N 3.46Å; Y865-H932 PolarHBondContact OH-NE2 3.44Å; Y865-Y933 HydrophobicContact CD2-CE1 4.42Å; Y865-Y933 AromaticContact CE2-CE1 3.68Å; Y865-Y933 HydrophobicContact CE2-CE1 3.68Å; Y865-Q937 WeakPolarHBondContact OH-CG 3.17Å; Y865-Q937 PolarHBondContact OH-OE1 2.81Å
866R93.3Very high94Very high75 Ų7564.7 Ų64.728%0.28332%0.322SS..EExtended strand (participates in β ladder)trans-131.8126174.4-170174.5178.1-157.1-8.2111S470 T820 T908 I909S470-R866 VanDerWaalsContact C-NH1 3.31Å; S470-R866 PolarHBondContact O-NH1 3.41Å; S470-R866 PolarHBondContact O-NH2 3.2Å; T820-R866 VanDerWaalsContact O-O 3.1Å; R866-T908 HydrophobicContact CG-CG2 3.48Å; R866-T908 VanDerWaalsContact CG-CG2 3.48Å; R866-I909 WeakPolarHBondContact CA-O 3.38Å
867K93.4Very high93.7Very high67 Ų6769.9 Ų69.929%0.29134%0.336SS..EExtended strand (participates in β ladder)trans-146.6142.3-177.6-153.2148.7-175.81480112.7D821 H883 T908 I909 Y911D821-K867 HydrophobicContact CB-CD 4.16Å; D821-K867 IonicContact OD2-NZ 2.7Å; D821-K867 PolarHBondContact OD2-NZ 3.13Å; K867-H883 HydrophobicContact CB-CB 3.85Å; K867-H883 HydrophobicContact CD-CB 4.39Å; K867-H883 HydrophobicContact CG-CB 4.36Å; K867-T908 WeakPolarHBondContact O-CA 3.27Å; K867-I909 PolarHBondContact N-O 2.9Å; K867-I909 WeakPolarHBondContact O-CG2 3.38Å; K867-I909 PolarHBondContact O-N 2.83Å; K867-Y911 HydrophobicContact CB-CE1 4.37Å
868R92.1Very high93.5Very high155 Ų15580.6 Ų80.659%0.58537%0.37SS*.EExtended strand (participates in β ladder)trans-81.9131.2177.2-67.4-177-174.4139.12.8111.2R870 G907R868-R870 PolarHBondContact O-N 2.81Å; R868-G907 CarbonylContact C-O 3.5Å; R868-G907 WeakPolarHBondContact CA-O 3.41Å
869L93.2Very high93.2Very high3 Ų379.4 Ų79.42%0.01637%0.368CS..EExtended strand (participates in β ladder)trans-79.999.6163.5-67.4153.7000107.7R871 L873 Y876 V884 A887 Y903 R906 G907 I909L869-R871 VanDerWaalsContact C-N 3.26Å; L869-R871 PolarHBondContact O-N 2.8Å; L869-L873 HydrophobicContact CD2-CD1 3.93Å; L869-Y876 HydrophobicContact CD2-CE2 4.19Å; L869-V884 HydrophobicContact CD2-CB 4.49Å; L869-V884 HydrophobicContact CD2-CG2 3.78Å; L869-A887 HydrophobicContact CD1-CB 3.83Å; L869-A887 HydrophobicContact CD2-CB 4.19Å; L869-Y903 HydrophobicContact CD1-CD1 3.78Å; L869-Y903 HydrophobicContact CD1-CG 4.03Å; L869-R906 WeakPolarHBondContact O-CA 3.26Å; L869-R906 WeakPolarHBondContact O-CB 3.43Å; L869-G907 PolarHBondContact N-O 3.02Å; L869-G907 PolarHBondContact O-N 3.4Å; L869-I909 HydrophobicContact CD1-CG2 4.43Å; L869-I909 HydrophobicContact CG-CG2 4.39Å
870R88.8Confident93Very high207 Ų20781.6 Ų81.678%0.78138%0.381SS*.EExtended strand (participates in β ladder)trans-77-15.3-174.5-63.2-175.4-177.9-175.9-0.8113.1R868 Y876 R906R868-R870 PolarHBondContact O-N 2.81Å; R870-Y876 PolarHBondContact N-OH 3.21Å; R870-Y876 VanDerWaalsContact N-OH 3.14Å; R870-R906 PolarHBondContact O-NE 3.05Å
871R89.3Confident92.9Very high103 Ų10379.3 Ų79.339%0.38937%0.37SS..EExtended strand (participates in β ladder)trans-127.9157.3-177.8-56.4175.471.6-171.93.3109.1L869 E875 Y876L869-R871 VanDerWaalsContact C-N 3.26Å; L869-R871 PolarHBondContact O-N 2.8Å; R871-E875 HydrophobicContact CB-CB 4.1Å; R871-E875 IonicContact CZ-OE2 3.99Å; R871-E875 VanDerWaalsContact CZ-OE2 3.22Å; R871-E875 IonicContact NE-OE2 3.75Å; R871-E875 PolarHBondContact NE-OE2 3.41Å; R871-E875 PolarHBondContact NH1-O 3.46Å; R871-E875 IonicContact NH2-OE2 3.67Å; R871-E875 PolarHBondContact NH2-OE2 2.84Å; R871-Y876 HydrophobicContact CB-CD2 4.49Å; R871-Y876 HydrophobicContact CB-CE2 3.85Å
872P92.4Very high93.1Very high21 Ų2177 Ų7714%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-48.5143.7162.6-25.333.8000111.4S874 E875 Q904P872-S874 PolarHBondContact O-N 2.82Å; P872-S874 VanDerWaalsContact O-N 3.17Å; P872-E875 HydrophobicContact CB-CG 4.25Å; P872-E875 VanDerWaalsContact CD-OE1 3.27Å; P872-E875 WeakPolarHBondContact CD-OE1 3.31Å; P872-E875 HydrophobicContact CG-CG 4.35Å; P872-E875 WeakPolarHBondContact CG-OE1 3.39Å; P872-E875 WeakPolarHBondContact O-CB 3.3Å; P872-E875 PolarHBondContact O-N 2.81Å; P872-Q904 CarbonylContact C-O 3.41Å; P872-Q904 VanDerWaalsContact CA-O 3.27Å; P872-Q904 WeakPolarHBondContact CA-O 3.34Å
873L93.1Very high93.1Very high8 Ų873.7 Ų73.74%0.04234%0.335CS..G310 helixtrans-61.3-30-171.6-163.166.8000112.7L869 E875 V884 A887 R888 Q904L869-L873 HydrophobicContact CD2-CD1 3.93Å; L873-E875 VanDerWaalsContact C-N 3.33Å; L873-E875 PolarHBondContact O-N 3.34Å; L873-V884 HydrophobicContact CD1-CG1 3.91Å; L873-A887 HydrophobicContact CD1-CB 3.97Å; L873-R888 HydrophobicContact CD1-CG 4.25Å; L873-R888 HydrophobicContact CD2-CG 3.76Å; L873-R888 HydrophobicContact CG-CG 4.04Å; L873-Q904 PolarHBondContact N-O 3.02Å
874S92.9Very high93.1Very high86 Ų8673.7 Ų73.760%0.60134%0.335SS*.G310 helixtrans-70.5-22176.955.50000114.1P872 Y876P872-S874 PolarHBondContact O-N 2.82Å; P872-S874 VanDerWaalsContact O-N 3.17Å; S874-Y876 VanDerWaalsContact C-N 3.31Å; S874-Y876 PolarHBondContact O-N 2.84Å
875E92.6Very high93.1Very high77 Ų7778.4 Ų78.436%0.3635%0.349SS..G310 helixtrans-80.6-10-177.9-75-168.7-146.700113.9R871 P872 L873 Q877R871-E875 HydrophobicContact CB-CB 4.1Å; R871-E875 IonicContact CZ-OE2 3.99Å; R871-E875 VanDerWaalsContact CZ-OE2 3.22Å; R871-E875 IonicContact NE-OE2 3.75Å; R871-E875 PolarHBondContact NE-OE2 3.41Å; R871-E875 PolarHBondContact NH1-O 3.46Å; R871-E875 IonicContact NH2-OE2 3.67Å; R871-E875 PolarHBondContact NH2-OE2 2.84Å; P872-E875 HydrophobicContact CB-CG 4.25Å; P872-E875 VanDerWaalsContact CD-OE1 3.27Å; P872-E875 WeakPolarHBondContact CD-OE1 3.31Å; P872-E875 HydrophobicContact CG-CG 4.35Å; P872-E875 WeakPolarHBondContact CG-OE1 3.39Å; P872-E875 WeakPolarHBondContact O-CB 3.3Å; P872-E875 PolarHBondContact O-N 2.81Å; L873-E875 VanDerWaalsContact C-N 3.33Å; L873-E875 PolarHBondContact O-N 3.34Å; E875-Q877 VanDerWaalsContact C-N 3.32Å; E875-Q877 PolarHBondContact O-N 3.17Å
876Y92.1Very high93.1Very high28 Ų2877.8 Ų77.811%0.1135%0.347CS..  trans-80.279.2174.9-68.2-85.8000110.7L869 R870 R871 S874 P881 V884 R888L869-Y876 HydrophobicContact CD2-CE2 4.19Å; R870-Y876 PolarHBondContact N-OH 3.21Å; R870-Y876 VanDerWaalsContact N-OH 3.14Å; R871-Y876 HydrophobicContact CB-CD2 4.49Å; R871-Y876 HydrophobicContact CB-CE2 3.85Å; S874-Y876 VanDerWaalsContact C-N 3.31Å; S874-Y876 PolarHBondContact O-N 2.84Å; Y876-P881 HydrophobicContact CD1-CG 4.28Å; Y876-P881 HydrophobicContact CE1-CG 4.43Å; Y876-V884 HydrophobicContact CD1-CG2 3.7Å; Y876-V884 HydrophobicContact CD2-CG1 4.15Å; Y876-V884 HydrophobicContact CD2-CG2 3.89Å; Y876-V884 HydrophobicContact CE1-CG2 3.69Å; Y876-V884 HydrophobicContact CE2-CG2 3.89Å; Y876-V884 HydrophobicContact CG-CG1 4.02Å; Y876-V884 HydrophobicContact CG-CG2 3.78Å; Y876-R888 PolarHBondContact O-NH2 2.79Å; Y876-R888 VanDerWaalsContact O-NH2 3.12Å
877Q90.2Very high93.3Very high174 Ų17474.2 Ų74.281%0.81333%0.333SS*.  trans-99.2-36.5-178.1-64.1-178.5-11.200113.9E875E875-Q877 VanDerWaalsContact C-N 3.32Å; E875-Q877 PolarHBondContact O-N 3.17Å
878R90.2Very high93.4Very high245 Ų24574.8 Ų74.893%0.92533%0.334SS*.SBendtrans-72.7-37.4-173.2-64.3-179-170.2156.81.8113.4
879N91.6Very high93.7Very high107 Ų10770.6 Ų70.657%0.57232%0.323SS*.  trans-149.7163.9176.462.40.2000109.2P881N879-P881 VanDerWaalsContact O-CD 3.28Å; N879-P881 WeakPolarHBondContact O-CD 3.28Å
880V92.5Very high93.8Very high61 Ų6170.5 Ų70.537%0.3732%0.322SS..  trans-114.389.7173.9-172.60000108.5V884 R885V880-V884 HydrophobicContact CG1-CB 4.39Å; V880-V884 HydrophobicContact CG1-CG1 4.13Å; V880-R885 HydrophobicContact CG1-CB 4.02Å
881P94.8Very high94.1Very high21 Ų2160.9 Ų60.914%0.13629%0.286CS..  trans-54.9154.8174-25.733.6000112.3Y876 N879 H883 V884 R885Y876-P881 HydrophobicContact CD1-CG 4.28Å; Y876-P881 HydrophobicContact CE1-CG 4.43Å; N879-P881 VanDerWaalsContact O-CD 3.28Å; N879-P881 WeakPolarHBondContact O-CD 3.28Å; P881-H883 WeakPolarHBondContact CB-CE1 3.19Å; P881-H883 WeakPolarHBondContact CB-ND1 3.27Å; P881-H883 PolarHBondContact O-N 2.76Å; P881-V884 HydrophobicContact CB-CB 4.32Å; P881-V884 HydrophobicContact CB-CG2 4Å; P881-V884 HydrophobicContact CG-CB 4.48Å; P881-V884 HydrophobicContact CG-CG2 3.94Å; P881-V884 WeakPolarHBondContact O-CA 3.43Å; P881-V884 WeakPolarHBondContact O-CB 3.4Å; P881-V884 PolarHBondContact O-N 2.88Å; P881-R885 PolarHBondContact O-N 3.39Å
882P96.3Very high94.4Very high45 Ų4560.3 Ų60.329%0.29229%0.288SS..Hα-helixtrans-57.7-44.9-176.320.6-32.7000113V884 R885 A886 Y911 W913 P918P882-V884 VanDerWaalsContact C-N 3.29Å; P882-V884 PolarHBondContact O-N 3.03Å; P882-R885 WeakPolarHBondContact O-CB 3.44Å; P882-R885 PolarHBondContact O-N 3.44Å; P882-R885 VanDerWaalsContact O-N 3.14Å; P882-A886 PolarHBondContact O-N 3.35Å; P882-Y911 HydrophobicContact CB-CE2 4.37Å; P882-W913 HydrophobicContact CB-CH2 4.07Å; P882-W913 HydrophobicContact CB-CZ3 3.65Å; P882-W913 HydrophobicContact CG-CZ3 4.2Å; P882-P918 HydrophobicContact CB-CB 3.94Å; P882-P918 HydrophobicContact CB-CG 3.72Å
883H95.9Very high94.5Very high17 Ų1760 Ų608%0.07929%0.285CS..Hα-helixtrans-62.5-31.2174.865.7-78000113.7K867 P881 A887 I909 Y911K867-H883 HydrophobicContact CB-CB 3.85Å; K867-H883 HydrophobicContact CD-CB 4.39Å; K867-H883 HydrophobicContact CG-CB 4.36Å; P881-H883 WeakPolarHBondContact CB-CE1 3.19Å; P881-H883 WeakPolarHBondContact CB-ND1 3.27Å; P881-H883 PolarHBondContact O-N 2.76Å; H883-A887 VanDerWaalsContact O-CB 3.3Å; H883-A887 WeakPolarHBondContact O-CB 3.26Å; H883-A887 PolarHBondContact O-N 2.74Å; H883-I909 HydrophobicContact CB-CG2 3.72Å; H883-Y911 HydrophobicContact CB-CD1 4.09Å; H883-Y911 HydrophobicContact CB-CE1 3.64Å
884V96.8Very high94.4Very high0 Ų059.6 Ų59.60%028%0.283CS..Hα-helixtrans-72.9-38.9174.5174.30000110.4L869 L873 Y876 V880 P881 P882 A887 R888L869-V884 HydrophobicContact CD2-CB 4.49Å; L869-V884 HydrophobicContact CD2-CG2 3.78Å; L873-V884 HydrophobicContact CD1-CG1 3.91Å; Y876-V884 HydrophobicContact CD1-CG2 3.7Å; Y876-V884 HydrophobicContact CD2-CG1 4.15Å; Y876-V884 HydrophobicContact CD2-CG2 3.89Å; Y876-V884 HydrophobicContact CE1-CG2 3.69Å; Y876-V884 HydrophobicContact CE2-CG2 3.89Å; Y876-V884 HydrophobicContact CG-CG1 4.02Å; Y876-V884 HydrophobicContact CG-CG2 3.78Å; V880-V884 HydrophobicContact CG1-CB 4.39Å; V880-V884 HydrophobicContact CG1-CG1 4.13Å; P881-V884 HydrophobicContact CB-CB 4.32Å; P881-V884 HydrophobicContact CB-CG2 4Å; P881-V884 HydrophobicContact CG-CB 4.48Å; P881-V884 HydrophobicContact CG-CG2 3.94Å; P881-V884 WeakPolarHBondContact O-CA 3.43Å; P881-V884 WeakPolarHBondContact O-CB 3.4Å; P881-V884 PolarHBondContact O-N 2.88Å; P882-V884 VanDerWaalsContact C-N 3.29Å; P882-V884 PolarHBondContact O-N 3.03Å; V884-A887 PolarHBondContact O-N 2.97Å; V884-R888 WeakPolarHBondContact O-CG 3.49Å; V884-R888 PolarHBondContact O-N 3.46Å
885R96.7Very high94.5Very high134 Ų13462.3 Ų62.351%0.50629%0.286SS..Hα-helixtrans-61.4-49.2173.3-175.8-178.6-64.6-1230.8111.1V880 P881 P882 A887 R888 L889 P918V880-R885 HydrophobicContact CG1-CB 4.02Å; P881-R885 PolarHBondContact O-N 3.39Å; P882-R885 WeakPolarHBondContact O-CB 3.44Å; P882-R885 PolarHBondContact O-N 3.44Å; P882-R885 VanDerWaalsContact O-N 3.14Å; R885-A887 VanDerWaalsContact C-N 3.32Å; R885-A887 PolarHBondContact O-N 3.01Å; R885-R888 PolarHBondContact O-N 3.28Å; R885-L889 HydrophobicContact CG-CD1 4.43Å; R885-L889 WeakPolarHBondContact O-CG 3.32Å; R885-L889 PolarHBondContact O-N 2.89Å; R885-P918 HydrophobicContact CB-CG 4.33Å; R885-P918 HydrophobicContact CG-CG 4.49Å
886A97.5Very high94.5Very high0 Ų065.4 Ų65.40%030%0.298CS..Hα-helixtrans-59.4-42.1176.800000112.1P882 L889 A890 I909 Y911P882-A886 PolarHBondContact O-N 3.35Å; A886-L889 PolarHBondContact O-N 2.89Å; A886-A890 WeakPolarHBondContact O-CB 3.45Å; A886-A890 PolarHBondContact O-N 3.3Å; A886-I909 HydrophobicContact CB-CG1 4.25Å; A886-Y911 HydrophobicContact CB-CG 4.06Å
887A96.7Very high94.5Very high0 Ų070.2 Ų70.20%032%0.316CS..Hα-helixtrans-64.3-38.9176.100000113.2L869 L873 H883 V884 R885 A890 D891 Y903 I909L869-A887 HydrophobicContact CD1-CB 3.83Å; L869-A887 HydrophobicContact CD2-CB 4.19Å; L873-A887 HydrophobicContact CD1-CB 3.97Å; H883-A887 VanDerWaalsContact O-CB 3.3Å; H883-A887 WeakPolarHBondContact O-CB 3.26Å; H883-A887 PolarHBondContact O-N 2.74Å; V884-A887 PolarHBondContact O-N 2.97Å; R885-A887 VanDerWaalsContact C-N 3.32Å; R885-A887 PolarHBondContact O-N 3.01Å; A887-A890 PolarHBondContact O-N 3.07Å; A887-D891 PolarHBondContact O-N 3.39Å; A887-Y903 HydrophobicContact CB-CD2 4.08Å; A887-Y903 HydrophobicContact CB-CG 3.93Å; A887-I909 HydrophobicContact CB-CB 4.5Å; A887-I909 HydrophobicContact CB-CG1 4.4Å
888R96.5Very high94.4Very high79 Ų7965.3 Ų65.330%0.29831%0.312SS..Hα-helixtrans-63.5-47173.1-74.8177.9-178.3171.93.4111.5L873 Y876 V884 R885 A890 D891 E892L873-R888 HydrophobicContact CD1-CG 4.25Å; L873-R888 HydrophobicContact CD2-CG 3.76Å; L873-R888 HydrophobicContact CG-CG 4.04Å; Y876-R888 PolarHBondContact O-NH2 2.79Å; Y876-R888 VanDerWaalsContact O-NH2 3.12Å; V884-R888 WeakPolarHBondContact O-CG 3.49Å; V884-R888 PolarHBondContact O-N 3.46Å; R885-R888 PolarHBondContact O-N 3.28Å; R888-A890 VanDerWaalsContact C-N 3.27Å; R888-A890 PolarHBondContact O-N 2.85Å; R888-D891 PolarHBondContact O-N 2.95Å; R888-E892 WeakPolarHBondContact O-CB 3.33Å; R888-E892 WeakPolarHBondContact O-CG 3.33Å; R888-E892 PolarHBondContact O-N 2.71Å
889L96.8Very high94.2Very high67 Ų6758 Ų5835%0.35129%0.285SS..Hα-helixtrans-58.5-40.4175.4-72.2173.7000111.8R885 A886 E893 E919 P920R885-L889 HydrophobicContact CG-CD1 4.43Å; R885-L889 WeakPolarHBondContact O-CG 3.32Å; R885-L889 PolarHBondContact O-N 2.89Å; A886-L889 PolarHBondContact O-N 2.89Å; L889-E893 WeakPolarHBondContact O-CB 3.28Å; L889-E893 PolarHBondContact O-N 2.82Å; L889-E919 HydrophobicContact CD1-CG 4.48Å; L889-P920 HydrophobicContact CB-CG 4.36Å
890A95.9Very high93.8Very high0 Ų056.9 Ų56.90%028%0.283CS..Hα-helixtrans-64.8-45.1177.100000112.4A886 A887 R888 E893 N894 Y903 P920 Y923A886-A890 WeakPolarHBondContact O-CB 3.45Å; A886-A890 PolarHBondContact O-N 3.3Å; A887-A890 PolarHBondContact O-N 3.07Å; R888-A890 VanDerWaalsContact C-N 3.27Å; R888-A890 PolarHBondContact O-N 2.85Å; A890-E893 PolarHBondContact O-N 3.27Å; A890-N894 WeakPolarHBondContact O-CB 3.46Å; A890-N894 PolarHBondContact O-N 3.05Å; A890-N894 PolarHBondContact O-ND2 3.23Å; A890-Y903 HydrophobicContact CB-CD2 3.92Å; A890-Y903 HydrophobicContact CB-CE2 3.52Å; A890-P920 HydrophobicContact CB-CB 3.7Å; A890-P920 HydrophobicContact CB-CG 3.82Å; A890-Y923 HydrophobicContact CB-CD2 4.15Å; A890-Y923 HydrophobicContact CB-CE2 4.47Å
891D94.7Very high93.8Very high5 Ų557.9 Ų57.93%0.02729%0.286CS..Hα-helixtrans-70.7-34.6179-84.6-7.2000112.6A887 R888 E893 N894 Q895 L901 Q902 Y903 Q904A887-D891 PolarHBondContact O-N 3.39Å; R888-D891 PolarHBondContact O-N 2.95Å; D891-E893 VanDerWaalsContact C-N 3.31Å; D891-E893 PolarHBondContact O-N 2.93Å; D891-N894 PolarHBondContact O-N 2.84Å; D891-N894 PolarHBondContact OD1-ND2 2.81Å; D891-Q895 WeakPolarHBondContact O-CB 3.37Å; D891-Q895 PolarHBondContact O-N 2.86Å; D891-L901 HydrophobicContact CB-CD2 4.04Å; D891-L901 VanDerWaalsContact O-CD2 3.25Å; D891-L901 WeakPolarHBondContact O-CD2 3.43Å; D891-Q902 PolarHBondContact OD1-N 3.49Å; D891-Y903 PolarHBondContact OD1-N 3.25Å; D891-Y903 PolarHBondContact OD2-N 3.23Å; D891-Q904 PolarHBondContact OD2-NE2 3.06Å
892E95.9Very high93.5Very high92 Ų9260 Ų6043%0.4329%0.294SS..Hα-helixtrans-62.1-39.5169.3-74.8173.4-15900111.7R888 Q895 K896R888-E892 WeakPolarHBondContact O-CB 3.33Å; R888-E892 WeakPolarHBondContact O-CG 3.33Å; R888-E892 PolarHBondContact O-N 2.71Å; E892-Q895 PolarHBondContact O-N 2.69Å; E892-K896 VanDerWaalsContact O-CG 3.28Å; E892-K896 WeakPolarHBondContact O-CG 3.3Å; E892-K896 PolarHBondContact O-N 2.81Å
893E94.6Very high93.3Very high14 Ų1458.8 Ų58.87%0.06528%0.284CS..Hα-helixtrans-71.4-41.4176.7-172.165.2179.200112.3L889 A890 D891 Q895 K896 R897 Y923 R925L889-E893 WeakPolarHBondContact O-CB 3.28Å; L889-E893 PolarHBondContact O-N 2.82Å; A890-E893 PolarHBondContact O-N 3.27Å; D891-E893 VanDerWaalsContact C-N 3.31Å; D891-E893 PolarHBondContact O-N 2.93Å; E893-Q895 VanDerWaalsContact C-N 3.28Å; E893-Q895 PolarHBondContact O-N 2.92Å; E893-K896 PolarHBondContact O-N 2.78Å; E893-R897 WeakPolarHBondContact O-CB 3.44Å; E893-R897 WeakPolarHBondContact O-CG 3.3Å; E893-R897 PolarHBondContact O-N 3Å; E893-R897 IonicContact OE1-CZ 2.79Å; E893-R897 VanDerWaalsContact OE1-CZ 3.27Å; E893-R897 IonicContact OE1-NE 3.11Å; E893-R897 PolarHBondContact OE1-NE 3.2Å; E893-R897 IonicContact OE1-NH2 3.58Å; E893-R897 PolarHBondContact OE1-NH2 2.92Å; E893-Y923 HydrophobicContact CB-CD1 4.41Å; E893-Y923 HydrophobicContact CB-CD2 3.79Å; E893-Y923 HydrophobicContact CB-CE2 4.12Å; E893-Y923 HydrophobicContact CB-CG 3.93Å; E893-Y923 HydrophobicContact CG-CD1 3.53Å; E893-Y923 HydrophobicContact CG-CD2 3.83Å; E893-Y923 HydrophobicContact CG-CE1 3.9Å; E893-Y923 HydrophobicContact CG-CE2 4.15Å; E893-Y923 HydrophobicContact CG-CG 3.49Å; E893-Y923 VanDerWaalsContact CG-CG 3.49Å; E893-R925 IonicContact OE1-NH2 3.32Å; E893-R925 PolarHBondContact OE1-NH2 3.29Å; E893-R925 VanDerWaalsContact OE1-NH2 3.13Å; E893-R925 IonicContact OE2-CZ 2.76Å; E893-R925 IonicContact OE2-NH2 3.72Å; E893-R925 PolarHBondContact OE2-NH2 2.82Å
894N92.1Very high93Very high0 Ų062 Ų620%030%0.299CS..Hα-helixtrans-54.5-48.9171.3-78.6-39000109.8A890 D891 K896 R897 G898 R899 L901 Q902 Y923A890-N894 WeakPolarHBondContact O-CB 3.46Å; A890-N894 PolarHBondContact O-N 3.05Å; A890-N894 PolarHBondContact O-ND2 3.23Å; D891-N894 PolarHBondContact O-N 2.84Å; D891-N894 PolarHBondContact OD1-ND2 2.81Å; N894-K896 PolarHBondContact O-N 2.93Å; N894-R897 CarbonylContact O-C 3.5Å; N894-R897 PolarHBondContact O-N 2.81Å; N894-R897 VanDerWaalsContact O-N 3.12Å; N894-G898 PolarHBondContact O-N 2.9Å; N894-R899 CarbonylContact C-O 3.32Å; N894-R899 HydrophobicContact CB-CB 4.02Å; N894-R899 PolarHBondContact O-N 2.84Å; N894-L901 HydrophobicContact CB-CD2 4.49Å; N894-Q902 PolarHBondContact ND2-OE1 3.44Å; N894-Y923 WeakPolarHBondContact OD1-CE2 3.48Å; N894-Y923 PolarHBondContact OD1-OH 3.41Å
895Q93.5Very high92.7Very high142 Ų14268 Ų6866%0.66433%0.331SS*.Hα-helixtrans-59.6-45.2177.7-170176.3-3.700112.4D891 E892 E893 R897 G898 L901D891-Q895 WeakPolarHBondContact O-CB 3.37Å; D891-Q895 PolarHBondContact O-N 2.86Å; E892-Q895 PolarHBondContact O-N 2.69Å; E893-Q895 VanDerWaalsContact C-N 3.28Å; E893-Q895 PolarHBondContact O-N 2.92Å; Q895-R897 PolarHBondContact O-N 3.13Å; Q895-G898 PolarHBondContact O-N 2.64Å; Q895-G898 VanDerWaalsContact O-N 3.13Å; Q895-L901 HydrophobicContact CB-CD2 4.09Å
896K94.4Very high92.3Very high143 Ų14368.8 Ų68.862%0.62233%0.334SS*.Hα-helixtrans-61.3-32.5176.4-73.1166.8-168.9163.40112.7E892 E893 N894E892-K896 VanDerWaalsContact O-CG 3.28Å; E892-K896 WeakPolarHBondContact O-CG 3.3Å; E892-K896 PolarHBondContact O-N 2.81Å; E893-K896 PolarHBondContact O-N 2.78Å; N894-K896 PolarHBondContact O-N 2.93Å
897R91.6Very high91.8Very high128 Ų12870.3 Ų70.348%0.48335%0.349SS..THydrogen-bonded Turntrans-89.42.3178.4-64.9-179.1-173.8-147.65.9113.7E893 N894 Q895 R899E893-R897 WeakPolarHBondContact O-CB 3.44Å; E893-R897 WeakPolarHBondContact O-CG 3.3Å; E893-R897 PolarHBondContact O-N 3Å; E893-R897 IonicContact OE1-CZ 2.79Å; E893-R897 VanDerWaalsContact OE1-CZ 3.27Å; E893-R897 IonicContact OE1-NE 3.11Å; E893-R897 PolarHBondContact OE1-NE 3.2Å; E893-R897 IonicContact OE1-NH2 3.58Å; E893-R897 PolarHBondContact OE1-NH2 2.92Å; N894-R897 CarbonylContact O-C 3.5Å; N894-R897 PolarHBondContact O-N 2.81Å; N894-R897 VanDerWaalsContact O-N 3.12Å; Q895-R897 PolarHBondContact O-N 3.13Å; R897-R899 HydrophobicContact CB-CG 4.16Å; R897-R899 PolarHBondContact O-N 2.84Å
898G88Confident91.4Very high71 Ų7172.9 Ų72.973%0.73237%0.365SS*.THydrogen-bonded Turntrans66.720.1-175.200000114.1N894 Q895N894-G898 PolarHBondContact O-N 2.9Å; Q895-G898 PolarHBondContact O-N 2.64Å; Q895-G898 VanDerWaalsContact O-N 3.13Å
899R85.2Confident91.3Very high93 Ų9369.1 Ų69.135%0.35135%0.351SS..PPolyproline II helixtrans-89.2147.4176.6-66.9177.3175.4-177.3-8.3110.8W492 N894 R897 Y923W492-R899 HydrophobicContact CH2-CB 4.25Å; W492-R899 HydrophobicContact CZ2-CB 4.27Å; N894-R899 CarbonylContact C-O 3.32Å; N894-R899 HydrophobicContact CB-CB 4.02Å; N894-R899 PolarHBondContact O-N 2.84Å; R897-R899 HydrophobicContact CB-CG 4.16Å; R897-R899 PolarHBondContact O-N 2.84Å; R899-Y923 WeakPolarHBondContact CD-OH 3.32Å; R899-Y923 PolarHBondContact NH1-OH 2.94Å
900P84.5Confident91.2Very high83 Ų8370.8 Ų70.854%0.53936%0.356SS..PPolyproline II helixtrans-52.3142170.3-26.231000113.1W492W492-P900 HydrophobicContact CH2-CB 4.3Å; W492-P900 HydrophobicContact CH2-CG 4.01Å; W492-P900 HydrophobicContact CZ3-CG 4.24Å
901L91.7Very high91.2Very high82 Ų8271.2 Ų71.243%0.42936%0.357SS..PPolyproline II helixtrans-70137.9172.9-49.5177.3000109.7D891 N894 Q895 Q904D891-L901 HydrophobicContact CB-CD2 4.04Å; D891-L901 VanDerWaalsContact O-CD2 3.25Å; D891-L901 WeakPolarHBondContact O-CD2 3.43Å; N894-L901 HydrophobicContact CB-CD2 4.49Å; Q895-L901 HydrophobicContact CB-CD2 4.09Å; L901-Q904 HydrophobicContact CB-CG 3.7Å; L901-Q904 HydrophobicContact CD1-CG 3.89Å; L901-Q904 HydrophobicContact CG-CG 4.45Å
902Q88.8Confident91.4Very high65 Ų6571.2 Ų71.230%0.30436%0.357SS..SBendtrans-106.8-31-169.9-67.8174.1-44.800113.2D891 N894D891-Q902 PolarHBondContact OD1-N 3.49Å; N894-Q902 PolarHBondContact ND2-OE1 3.44Å
903Y92Very high91.5Very high20 Ų2069.9 Ų69.98%0.07835%0.348CS..SBendtrans-112.57.9-164.2-59.2-64.1000114.8L869 A887 A890 D891 N905 I909L869-Y903 HydrophobicContact CD1-CD1 3.78Å; L869-Y903 HydrophobicContact CD1-CG 4.03Å; A887-Y903 HydrophobicContact CB-CD2 4.08Å; A887-Y903 HydrophobicContact CB-CG 3.93Å; A890-Y903 HydrophobicContact CB-CD2 3.92Å; A890-Y903 HydrophobicContact CB-CE2 3.52Å; D891-Y903 PolarHBondContact OD1-N 3.25Å; D891-Y903 PolarHBondContact OD2-N 3.23Å; Y903-N905 PolarHBondContact O-N 3.21Å; Y903-I909 HydrophobicContact CD1-CB 4.47Å; Y903-I909 HydrophobicContact CD2-CD1 4.46Å; Y903-I909 HydrophobicContact CE1-CB 4.15Å; Y903-I909 HydrophobicContact CE1-CD1 4.02Å; Y903-I909 HydrophobicContact CE2-CD1 3.75Å; Y903-I909 VanDerWaalsContact CZ-CD1 3.49Å; Y903-I909 WeakPolarHBondContact OH-CD1 3.38Å
904Q90.2Very high91.7Very high84 Ų8469.2 Ų69.239%0.39335%0.345SS..THydrogen-bonded Turntrans-62.2-41.8-174-63.4-59.7-51.600113.5P872 L873 D891 L901P872-Q904 CarbonylContact C-O 3.41Å; P872-Q904 VanDerWaalsContact CA-O 3.27Å; P872-Q904 WeakPolarHBondContact CA-O 3.34Å; L873-Q904 PolarHBondContact N-O 3.02Å; D891-Q904 PolarHBondContact OD2-NE2 3.06Å; L901-Q904 HydrophobicContact CB-CG 3.7Å; L901-Q904 HydrophobicContact CD1-CG 3.89Å; L901-Q904 HydrophobicContact CG-CG 4.45Å
905N88.7Confident91.9Very high126 Ų12673.1 Ų73.167%0.67437%0.369SS*.EExtended strand (participates in β ladder)trans-12162-172.7-163.323.9000112.2Y903Y903-N905 PolarHBondContact O-N 3.21Å
906R89.5Confident92.1Very high150 Ų15072.4 Ų72.457%0.56637%0.37SS*.EExtended strand (participates in β ladder)trans72179.7-173.2-52.6176.4176.7142.76.6112.2L869 R870L869-R906 WeakPolarHBondContact O-CA 3.26Å; L869-R906 WeakPolarHBondContact O-CB 3.43Å; R870-R906 PolarHBondContact O-NE 3.05Å
907G86.3Confident92.2Very high32 Ų3266.2 Ų66.233%0.3335%0.347SS..EExtended strand (participates in β ladder)trans145.6-172-179.600000112.2R868 L869R868-G907 CarbonylContact C-O 3.5Å; R868-G907 WeakPolarHBondContact CA-O 3.41Å; L869-G907 PolarHBondContact N-O 3.02Å; L869-G907 PolarHBondContact O-N 3.4Å
908T89.5Confident92.5Very high55 Ų5560.5 Ų60.534%0.33733%0.326SS..EExtended strand (participates in β ladder)trans-123.2123.6171.2-56.50000108.8R866 K867R866-T908 HydrophobicContact CG-CG2 3.48Å; R866-T908 VanDerWaalsContact CG-CG2 3.48Å; K867-T908 WeakPolarHBondContact O-CA 3.27Å
909I93.2Very high93Very high0 Ų058.1 Ų58.10%030%0.296CS..EExtended strand (participates in β ladder)trans-99.9136.2178.4175.666000109.4R866 K867 L869 H883 A886 A887 Y903 P920R866-I909 WeakPolarHBondContact CA-O 3.38Å; K867-I909 PolarHBondContact N-O 2.9Å; K867-I909 WeakPolarHBondContact O-CG2 3.38Å; K867-I909 PolarHBondContact O-N 2.83Å; L869-I909 HydrophobicContact CD1-CG2 4.43Å; L869-I909 HydrophobicContact CG-CG2 4.39Å; H883-I909 HydrophobicContact CB-CG2 3.72Å; A886-I909 HydrophobicContact CB-CG1 4.25Å; A887-I909 HydrophobicContact CB-CB 4.5Å; A887-I909 HydrophobicContact CB-CG1 4.4Å; Y903-I909 HydrophobicContact CD1-CB 4.47Å; Y903-I909 HydrophobicContact CD2-CD1 4.46Å; Y903-I909 HydrophobicContact CE1-CB 4.15Å; Y903-I909 HydrophobicContact CE1-CD1 4.02Å; Y903-I909 HydrophobicContact CE2-CD1 3.75Å; Y903-I909 VanDerWaalsContact CZ-CD1 3.49Å; Y903-I909 WeakPolarHBondContact OH-CD1 3.38Å; I909-P920 HydrophobicContact CD1-CB 4.1Å
910K94.7Very high93.5Very high102 Ų10253.8 Ų53.844%0.44328%0.28SS..EExtended strand (participates in β ladder)trans-99.6128.5165.4-66.1-179.9-177.1175.80108V864 Y865 L921V864-K910 HydrophobicContact CG1-CB 4Å; V864-K910 HydrophobicContact CG1-CG 4.36Å; Y865-K910 WeakPolarHBondContact O-CA 3.45Å; K910-L921 HydrophobicContact CB-CB 4.09Å; K910-L921 HydrophobicContact CB-CD2 4.18Å; K910-L921 HydrophobicContact CD-CD2 4.2Å; K910-L921 PolarHBondContact O-N 3.43Å
911Y97.4Very high94Very high9 Ų952.8 Ų52.84%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-146.5159.6-178.273.7-86.9000111Y865 K867 P882 H883 A886 W913 P918 E919Y865-Y911 WeakPolarHBondContact CB-O 3.32Å; Y865-Y911 HydrophobicContact CD2-CD2 4.25Å; Y865-Y911 AromaticContact CD2-CE2 3.74Å; Y865-Y911 HydrophobicContact CD2-CE2 3.74Å; Y865-Y911 HydrophobicContact CG-CD2 4.48Å; Y865-Y911 HydrophobicContact CG-CE1 4.23Å; Y865-Y911 AromaticContact CG-CE2 3.81Å; Y865-Y911 HydrophobicContact CG-CE2 3.81Å; Y865-Y911 AromaticContact CG-CZ 3.67Å; Y865-Y911 PolarHBondContact N-O 2.89Å; Y865-Y911 PolarHBondContact O-N 3.46Å; K867-Y911 HydrophobicContact CB-CE1 4.37Å; P882-Y911 HydrophobicContact CB-CE2 4.37Å; H883-Y911 HydrophobicContact CB-CD1 4.09Å; H883-Y911 HydrophobicContact CB-CE1 3.64Å; A886-Y911 HydrophobicContact CB-CG 4.06Å; Y911-W913 HydrophobicContact CE2-CE3 4.35Å; Y911-P918 HydrophobicContact CD2-CB 3.79Å; Y911-P918 HydrophobicContact CE2-CB 4.03Å; Y911-E919 CarbonylContact C-O 3.46Å; Y911-E919 VanDerWaalsContact CA-O 3.27Å; Y911-E919 WeakPolarHBondContact CA-O 3.37Å; Y911-E919 VanDerWaalsContact CB-O 3.23Å; Y911-E919 WeakPolarHBondContact CB-O 3.31Å
912V98.2Very high93.9Very high4 Ų453.1 Ų53.12%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-121.8160.8174.3-67.40000109.6V864 T914 P918 E919 L921 Q924 L928 Y933V864-V912 HydrophobicContact CG2-CG1 4.36Å; V912-T914 HydrophobicContact CG2-CG2 4.04Å; V912-P918 WeakPolarHBondContact O-CA 3.2Å; V912-E919 PolarHBondContact N-O 2.78Å; V912-E919 PolarHBondContact O-N 3.41Å; V912-L921 HydrophobicContact CG1-CD1 4.08Å; V912-Q924 HydrophobicContact CG2-CB 4.45Å; V912-Q924 HydrophobicContact CG2-CG 4.04Å; V912-L928 HydrophobicContact CB-CD2 3.65Å; V912-L928 HydrophobicContact CG1-CD2 4.13Å; V912-L928 HydrophobicContact CG2-CD2 3.83Å; V912-Y933 WeakPolarHBondContact CA-OH 3.28Å
913W98.3Very high94.2Very high65 Ų6550.7 Ų50.725%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-97.3120.2172.2-148.9-79.4000109.4P882 Y911 P918 D929 H932 Y933P882-W913 HydrophobicContact CB-CH2 4.07Å; P882-W913 HydrophobicContact CB-CZ3 3.65Å; P882-W913 HydrophobicContact CG-CZ3 4.2Å; Y911-W913 HydrophobicContact CE2-CE3 4.35Å; W913-P918 HydrophobicContact CE3-CB 4.16Å; W913-P918 HydrophobicContact CZ3-CB 4.28Å; W913-P918 HydrophobicContact CZ3-CG 4.45Å; W913-D929 PolarHBondContact O-N 3Å; W913-H932 HydrophobicContact CB-CB 4.45Å; W913-H932 VanDerWaalsContact CB-CD2 3.44Å; W913-H932 WeakPolarHBondContact CB-CD2 3.48Å; W913-H932 AromaticContact CD1-CD2 3.95Å; W913-H932 AromaticContact CD1-CE1 3.95Å; W913-H932 AromaticContact CD1-CG 3.49Å; W913-H932 VanDerWaalsContact CD1-CG 3.49Å; W913-H932 AromaticContact CD1-ND1 3.51Å; W913-H932 AromaticContact CD2-CD2 3.88Å; W913-H932 AromaticContact CD2-CE1 3.19Å; W913-H932 AromaticContact CD2-CG 3.96Å; W913-H932 AromaticContact CD2-ND1 3.56Å; W913-H932 AromaticContact CD2-NE2 3.41Å; W913-H932 AromaticContact CE2-CE1 3.4Å; W913-H932 AromaticContact CE2-ND1 3.49Å; W913-H932 AromaticContact CE3-CE1 3.44Å; W913-H932 VanDerWaalsContact CE3-CE1 3.44Å; W913-H932 AromaticContact CE3-NE2 3.48Å; W913-H932 HydrophobicContact CG-CB 4.19Å; W913-H932 AromaticContact CG-CD2 3.47Å; W913-H932 VanDerWaalsContact CG-CD2 3.47Å; W913-H932 AromaticContact CG-CE1 3.59Å; W913-H932 AromaticContact CG-CG 3.49Å; W913-H932 VanDerWaalsContact CG-CG 3.49Å; W913-H932 AromaticContact CG-ND1 3.58Å; W913-H932 AromaticContact CG-NE2 3.55Å; W913-H932 AromaticContact CZ2-CE1 3.84Å; W913-H932 AromaticContact CZ3-CE1 3.86Å; W913-H932 AromaticContact NE1-CE1 3.84Å; W913-H932 AromaticContact NE1-CG 3.92Å; W913-H932 AromaticContact NE1-ND1 3.44Å; W913-H932 PolarHBondContact NE1-ND1 3.27Å; W913-Y933 HydrophobicContact CB-CE2 4.19Å; W913-Y933 PolarHBondContact N-OH 3.21Å; W913-Y933 WeakPolarHBondContact O-CE2 3.26Å
914T98.1Very high94.4Very high0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-109.5172.6-179.972.50000109.9V912 N916 G917 E919 Q924 S926 P927V912-T914 HydrophobicContact CG2-CG2 4.04Å; T914-N916 PolarHBondContact O-N 2.99Å; T914-N916 PolarHBondContact OG1-N 2.96Å; T914-N916 VanDerWaalsContact OG1-N 3.17Å; T914-G917 PolarHBondContact N-O 2.79Å; T914-G917 PolarHBondContact O-N 2.88Å; T914-G917 PolarHBondContact OG1-N 2.94Å; T914-G917 PolarHBondContact OG1-O 2.99Å; T914-E919 HydrophobicContact CG2-CB 3.93Å; T914-E919 HydrophobicContact CG2-CG 3.95Å; T914-Q924 HydrophobicContact CG2-CG 4.12Å; T914-S926 VanDerWaalsContact CB-CB 3.5Å; T914-S926 WeakPolarHBondContact CG2-O 3.49Å; T914-S926 WeakPolarHBondContact OG1-CB 3.4Å; T914-P927 CarbonylContact C-O 3.5Å; T914-P927 WeakPolarHBondContact CA-O 3.49Å; T914-P927 WeakPolarHBondContact CB-O 3.39Å
915T97.1Very high94.6Very high82 Ų8257.3 Ų57.350%0.50329%0.285SS..THydrogen-bonded Turntrans-59.3-17.5172.557.90000113.2P927 D929T915-P927 HydrophobicContact CG2-CG 4.06Å; T915-P927 PolarHBondContact N-O 3.35Å; T915-D929 HydrophobicContact CG2-CB 4.49Å
916N96.8Very high95Very high126 Ų12652 Ų5267%0.67426%0.257SS*.THydrogen-bonded Turntrans-103.416174.4-72.9-44.6000113.4T914 S926T914-N916 PolarHBondContact O-N 2.99Å; T914-N916 PolarHBondContact OG1-N 2.96Å; T914-N916 VanDerWaalsContact OG1-N 3.17Å; N916-S926 PolarHBondContact ND2-OG 3.29Å
917G96.4Very high95.3Very high14 Ų1449 Ų4914%0.14426%0.257CS..EExtended strand (participates in β ladder)trans91-160.7-178.800000113.4T914 E919T914-G917 PolarHBondContact N-O 2.79Å; T914-G917 PolarHBondContact O-N 2.88Å; T914-G917 PolarHBondContact OG1-N 2.94Å; T914-G917 PolarHBondContact OG1-O 2.99Å; G917-E919 PolarHBondContact O-N 3.47Å
918P97.7Very high95.9Very high8 Ų848.4 Ų48.45%0.05225%0.246CC..EExtended strand (participates in β ladder)trans-74.8120.1-172.330.1-35.2000111.6P882 R885 Y911 V912 W913P882-P918 HydrophobicContact CB-CB 3.94Å; P882-P918 HydrophobicContact CB-CG 3.72Å; R885-P918 HydrophobicContact CB-CG 4.33Å; R885-P918 HydrophobicContact CG-CG 4.49Å; Y911-P918 HydrophobicContact CD2-CB 3.79Å; Y911-P918 HydrophobicContact CE2-CB 4.03Å; V912-P918 WeakPolarHBondContact O-CA 3.2Å; W913-P918 HydrophobicContact CE3-CB 4.16Å; W913-P918 HydrophobicContact CZ3-CB 4.28Å; W913-P918 HydrophobicContact CZ3-CG 4.45Å
919E98.3Very high96.2Very high21 Ų2147.5 Ų47.510%0.09824%0.24CC..EExtended strand (participates in β ladder)trans-117.4143.5176.6-68.3-173.617400110.5L889 Y911 V912 T914 G917 R925 S926L889-E919 HydrophobicContact CD1-CG 4.48Å; Y911-E919 CarbonylContact C-O 3.46Å; Y911-E919 VanDerWaalsContact CA-O 3.27Å; Y911-E919 WeakPolarHBondContact CA-O 3.37Å; Y911-E919 VanDerWaalsContact CB-O 3.23Å; Y911-E919 WeakPolarHBondContact CB-O 3.31Å; V912-E919 PolarHBondContact N-O 2.78Å; V912-E919 PolarHBondContact O-N 3.41Å; T914-E919 HydrophobicContact CG2-CB 3.93Å; T914-E919 HydrophobicContact CG2-CG 3.95Å; G917-E919 PolarHBondContact O-N 3.47Å; E919-R925 PolarHBondContact OE2-N 3.46Å; E919-S926 VanDerWaalsContact OE1-CB 3.29Å; E919-S926 WeakPolarHBondContact OE1-CB 3.44Å; E919-S926 PolarHBondContact OE1-OG 2.68Å; E919-S926 PolarHBondContact OE2-N 3.15Å
920P96.9Very high96.4Very high2 Ų250.3 Ų50.31%0.01325%0.25CS..EExtended strand (participates in β ladder)trans-63.7139.2176.330.7-37.3000110.6L889 A890 I909 D922 Y923 Q924L889-P920 HydrophobicContact CB-CG 4.36Å; A890-P920 HydrophobicContact CB-CB 3.7Å; A890-P920 HydrophobicContact CB-CG 3.82Å; I909-P920 HydrophobicContact CD1-CB 4.1Å; P920-D922 PolarHBondContact O-N 3.09Å; P920-Y923 HydrophobicContact CG-CD2 4.4Å; P920-Y923 CarbonylContact O-C 3.53Å; P920-Y923 PolarHBondContact O-N 3.26Å; P920-Y923 VanDerWaalsContact O-N 3.07Å; P920-Q924 PolarHBondContact O-N 3.43Å
921L94.9Very high96.5Very high62 Ų6250.3 Ų50.333%0.32525%0.252SS..G310 helixtrans-55.9-41.6-178.1179.364.4000111.6V864 K910 V912 Y923V864-L921 HydrophobicContact CG1-CD2 4.08Å; V864-L921 HydrophobicContact CG2-CD1 4.13Å; V864-L921 HydrophobicContact CG2-CD2 4.01Å; K910-L921 HydrophobicContact CB-CB 4.09Å; K910-L921 HydrophobicContact CB-CD2 4.18Å; K910-L921 HydrophobicContact CD-CD2 4.2Å; K910-L921 PolarHBondContact O-N 3.43Å; V912-L921 HydrophobicContact CG1-CD1 4.08Å; L921-Y923 PolarHBondContact O-N 3.14Å
922D90Very high96.5Very high89 Ų8950.8 Ų50.848%0.47626%0.255SS..G310 helixtrans-66.5-20.8-177.1-56.8-29.1000113.4P920P920-D922 PolarHBondContact O-N 3.09Å
923Y94.6Very high96.5Very high14 Ų1450.6 Ų50.66%0.05525%0.253CS..G310 helixtrans-136.337-175.9-54.3-60.8000112.4A890 E893 N894 R899 P920 L921 R925A890-Y923 HydrophobicContact CB-CD2 4.15Å; A890-Y923 HydrophobicContact CB-CE2 4.47Å; E893-Y923 HydrophobicContact CB-CD1 4.41Å; E893-Y923 HydrophobicContact CB-CD2 3.79Å; E893-Y923 HydrophobicContact CB-CE2 4.12Å; E893-Y923 HydrophobicContact CB-CG 3.93Å; E893-Y923 HydrophobicContact CG-CD1 3.53Å; E893-Y923 HydrophobicContact CG-CD2 3.83Å; E893-Y923 HydrophobicContact CG-CE1 3.9Å; E893-Y923 HydrophobicContact CG-CE2 4.15Å; E893-Y923 HydrophobicContact CG-CG 3.49Å; E893-Y923 VanDerWaalsContact CG-CG 3.49Å; N894-Y923 WeakPolarHBondContact OD1-CE2 3.48Å; N894-Y923 PolarHBondContact OD1-OH 3.41Å; R899-Y923 WeakPolarHBondContact CD-OH 3.32Å; R899-Y923 PolarHBondContact NH1-OH 2.94Å; P920-Y923 HydrophobicContact CG-CD2 4.4Å; P920-Y923 CarbonylContact O-C 3.53Å; P920-Y923 PolarHBondContact O-N 3.26Å; P920-Y923 VanDerWaalsContact O-N 3.07Å; L921-Y923 PolarHBondContact O-N 3.14Å; Y923-R925 PolarHBondContact O-N 3.07Å
924Q95.3Very high96.4Very high76 Ų7648 Ų4836%0.35524%0.244SC..  trans-61.2130.3173.4-175.5-176.5-1000110V912 T914 P920 S926V912-Q924 HydrophobicContact CG2-CB 4.45Å; V912-Q924 HydrophobicContact CG2-CG 4.04Å; T914-Q924 HydrophobicContact CG2-CG 4.12Å; P920-Q924 PolarHBondContact O-N 3.43Å; Q924-S926 WeakPolarHBondContact CG-O 3.38Å; Q924-S926 PolarHBondContact NE2-O 3.38Å
925R94.9Very high96.2Very high167 Ų16749.1 Ų49.163%0.6325%0.251SS*.  trans-120.2-32.1179.2-66.5178.6174.6-158.9-7.6112.2E893 E919 Y923E893-R925 IonicContact OE1-NH2 3.32Å; E893-R925 PolarHBondContact OE1-NH2 3.29Å; E893-R925 VanDerWaalsContact OE1-NH2 3.13Å; E893-R925 IonicContact OE2-CZ 2.76Å; E893-R925 IonicContact OE2-NH2 3.72Å; E893-R925 PolarHBondContact OE2-NH2 2.82Å; E919-R925 PolarHBondContact OE2-N 3.46Å; Y923-R925 PolarHBondContact O-N 3.07Å
926S96.6Very high96.2Very high13 Ų1352.1 Ų52.19%0.09125%0.254CS..SBendtrans-98.7150.3-174.9-55.50000111T914 N916 E919 Q924T914-S926 VanDerWaalsContact CB-CB 3.5Å; T914-S926 WeakPolarHBondContact CG2-O 3.49Å; T914-S926 WeakPolarHBondContact OG1-CB 3.4Å; N916-S926 PolarHBondContact ND2-OG 3.29Å; E919-S926 VanDerWaalsContact OE1-CB 3.29Å; E919-S926 WeakPolarHBondContact OE1-CB 3.44Å; E919-S926 PolarHBondContact OE1-OG 2.68Å; E919-S926 PolarHBondContact OE2-N 3.15Å; Q924-S926 WeakPolarHBondContact CG-O 3.38Å; Q924-S926 PolarHBondContact NE2-O 3.38Å
927P96.5Very high96.2Very high87 Ų8746.5 Ų46.557%0.56522%0.223SC*.PPolyproline II helixtrans-63.1151.8175.127.5-34000111T914 T915T914-P927 CarbonylContact C-O 3.5Å; T914-P927 WeakPolarHBondContact CA-O 3.49Å; T914-P927 WeakPolarHBondContact CB-O 3.39Å; T915-P927 HydrophobicContact CG2-CG 4.06Å; T915-P927 PolarHBondContact N-O 3.35Å
928L97.7Very high96.2Very high20 Ų2045.9 Ų45.911%0.10522%0.216CC..BIsolated β-bridgetrans-63.2142.4178-67.3167.6000110.8D860 L863 V912 Y930 Y933D860-L928 HydrophobicContact CB-CD1 4.03Å; D860-L928 VanDerWaalsContact CG-CD1 3.42Å; D860-L928 WeakPolarHBondContact OD1-CD1 3.31Å; D860-L928 WeakPolarHBondContact OD2-CD1 3.27Å; L863-L928 HydrophobicContact CD1-CD1 3.75Å; V912-L928 HydrophobicContact CB-CD2 3.65Å; V912-L928 HydrophobicContact CG1-CD2 4.13Å; V912-L928 HydrophobicContact CG2-CD2 3.83Å; L928-Y930 HydrophobicContact CB-CE1 4.09Å; L928-Y930 HydrophobicContact CD1-CE1 4.36Å; L928-Y930 PolarHBondContact O-N 3.23Å; L928-Y933 HydrophobicContact CD2-CE2 4.35Å
929D97.7Very high96.2Very high37 Ų3747.8 Ų47.820%0.19823%0.225CC..  trans-93.388.4175.5-177.9-4.3000109.5W913 T915 E931 H932 Y933W913-D929 PolarHBondContact O-N 3Å; T915-D929 HydrophobicContact CG2-CB 4.49Å; D929-E931 PolarHBondContact O-N 2.95Å; D929-E931 WeakPolarHBondContact OD1-CB 3.45Å; D929-E931 PolarHBondContact OD1-N 2.9Å; D929-H932 HydrophobicContact CB-CB 3.94Å; D929-H932 VanDerWaalsContact O-CB 3.31Å; D929-H932 WeakPolarHBondContact O-CB 3.44Å; D929-H932 PolarHBondContact O-N 3.22Å; D929-H932 VanDerWaalsContact O-N 3.12Å; D929-H932 PolarHBondContact OD1-N 3.47Å; D929-H932 VanDerWaalsContact OD1-N 3.09Å; D929-Y933 WeakPolarHBondContact O-CD2 3.47Å; D929-Y933 PolarHBondContact O-N 3.24Å
930Y97.4Very high96Very high58 Ų5847.5 Ų47.523%0.22722%0.224CC..Hα-helixtrans-61.9-30.4-179.1-62.2-58000113.1L854 G857 D860 L863 L928 H932 Y933 L934L854-Y930 HydrophobicContact CD1-CD1 3.93Å; L854-Y930 HydrophobicContact CG-CD1 4.41Å; L854-Y930 WeakPolarHBondContact O-CD1 3.28Å; G857-Y930 WeakPolarHBondContact CA-OH 3.25Å; D860-Y930 WeakPolarHBondContact OD1-CE1 3.05Å; D860-Y930 PolarHBondContact OD1-OH 3.43Å; D860-Y930 PolarHBondContact OD2-OH 2.73Å; L863-Y930 HydrophobicContact CD1-CD1 4.25Å; L863-Y930 HydrophobicContact CD1-CE1 3.95Å; L928-Y930 HydrophobicContact CB-CE1 4.09Å; L928-Y930 HydrophobicContact CD1-CE1 4.36Å; L928-Y930 PolarHBondContact O-N 3.23Å; Y930-H932 VanDerWaalsContact C-N 3.33Å; Y930-H932 PolarHBondContact O-N 2.83Å; Y930-Y933 PolarHBondContact O-N 3.11Å; Y930-L934 WeakPolarHBondContact O-CB 3.4Å; Y930-L934 PolarHBondContact O-N 3.38Å
931E95.4Very high96Very high102 Ų10247.4 Ų47.448%0.47722%0.224SC..Hα-helixtrans-61.8-43.4174-171-73.5154.100110.4D929 Y933 L934 T935D929-E931 PolarHBondContact O-N 2.95Å; D929-E931 WeakPolarHBondContact OD1-CB 3.45Å; D929-E931 PolarHBondContact OD1-N 2.9Å; E931-Y933 VanDerWaalsContact C-N 3.3Å; E931-Y933 PolarHBondContact O-N 2.98Å; E931-L934 WeakPolarHBondContact O-CB 3.34Å; E931-L934 PolarHBondContact O-N 2.95Å; E931-T935 WeakPolarHBondContact O-CB 3.31Å; E931-T935 PolarHBondContact O-N 3.42Å; E931-T935 PolarHBondContact O-OG1 3.49Å; E931-T935 WeakPolarHBondContact OE1-CB 3.07Å; E931-T935 PolarHBondContact OE1-OG1 3.32Å
932H97.4Very high96Very high19 Ų1944.5 Ų44.59%0.08821%0.209CC..Hα-helixtrans-56.6-46175.8177.691.3000111.6Y865 W913 D929 Y930 R936Y865-H932 PolarHBondContact OH-NE2 3.44Å; W913-H932 HydrophobicContact CB-CB 4.45Å; W913-H932 VanDerWaalsContact CB-CD2 3.44Å; W913-H932 WeakPolarHBondContact CB-CD2 3.48Å; W913-H932 AromaticContact CD1-CD2 3.95Å; W913-H932 AromaticContact CD1-CE1 3.95Å; W913-H932 AromaticContact CD1-CG 3.49Å; W913-H932 VanDerWaalsContact CD1-CG 3.49Å; W913-H932 AromaticContact CD1-ND1 3.51Å; W913-H932 AromaticContact CD2-CD2 3.88Å; W913-H932 AromaticContact CD2-CE1 3.19Å; W913-H932 AromaticContact CD2-CG 3.96Å; W913-H932 AromaticContact CD2-ND1 3.56Å; W913-H932 AromaticContact CD2-NE2 3.41Å; W913-H932 AromaticContact CE2-CE1 3.4Å; W913-H932 AromaticContact CE2-ND1 3.49Å; W913-H932 AromaticContact CE3-CE1 3.44Å; W913-H932 VanDerWaalsContact CE3-CE1 3.44Å; W913-H932 AromaticContact CE3-NE2 3.48Å; W913-H932 HydrophobicContact CG-CB 4.19Å; W913-H932 AromaticContact CG-CD2 3.47Å; W913-H932 VanDerWaalsContact CG-CD2 3.47Å; W913-H932 AromaticContact CG-CE1 3.59Å; W913-H932 AromaticContact CG-CG 3.49Å; W913-H932 VanDerWaalsContact CG-CG 3.49Å; W913-H932 AromaticContact CG-ND1 3.58Å; W913-H932 AromaticContact CG-NE2 3.55Å; W913-H932 AromaticContact CZ2-CE1 3.84Å; W913-H932 AromaticContact CZ3-CE1 3.86Å; W913-H932 AromaticContact NE1-CE1 3.84Å; W913-H932 AromaticContact NE1-CG 3.92Å; W913-H932 AromaticContact NE1-ND1 3.44Å; W913-H932 PolarHBondContact NE1-ND1 3.27Å; D929-H932 HydrophobicContact CB-CB 3.94Å; D929-H932 VanDerWaalsContact O-CB 3.31Å; D929-H932 WeakPolarHBondContact O-CB 3.44Å; D929-H932 PolarHBondContact O-N 3.22Å; D929-H932 VanDerWaalsContact O-N 3.12Å; D929-H932 PolarHBondContact OD1-N 3.47Å; D929-H932 VanDerWaalsContact OD1-N 3.09Å; Y930-H932 VanDerWaalsContact C-N 3.33Å; Y930-H932 PolarHBondContact O-N 2.83Å; H932-R936 WeakPolarHBondContact O-CA 3.47Å; H932-R936 WeakPolarHBondContact O-CB 3.34Å; H932-R936 VanDerWaalsContact O-CG 3.27Å; H932-R936 WeakPolarHBondContact O-CG 3.08Å; H932-R936 PolarHBondContact O-N 3.41Å
933Y97.8Very high96.2Very high0 Ų044.4 Ų44.40%021%0.205CC..Hα-helixtrans-67.5-38.7-179.9-69.9-74.6000112T823 L863 Y865 V912 W913 L928 D929 Y930 E931 Q937 L938T823-Y933 HydrophobicContact CG2-CE1 4.11Å; L863-Y933 HydrophobicContact CB-CD1 4.28Å; L863-Y933 HydrophobicContact CB-CE1 3.69Å; L863-Y933 HydrophobicContact CB-CE2 4.09Å; L863-Y933 HydrophobicContact CD1-CD2 3.91Å; L863-Y933 HydrophobicContact CD1-CE2 3.88Å; L863-Y933 HydrophobicContact CD1-CG 4.35Å; L863-Y933 HydrophobicContact CD2-CD1 3.8Å; L863-Y933 HydrophobicContact CD2-CD2 4.29Å; L863-Y933 HydrophobicContact CD2-CE1 4.11Å; L863-Y933 HydrophobicContact CD2-CG 3.9Å; L863-Y933 HydrophobicContact CG-CD1 4.46Å; L863-Y933 HydrophobicContact CG-CD2 4.5Å; L863-Y933 HydrophobicContact CG-CE1 4.34Å; L863-Y933 HydrophobicContact CG-CE2 4.41Å; L863-Y933 VanDerWaalsContact O-CE1 3.23Å; L863-Y933 WeakPolarHBondContact O-CE1 3.46Å; L863-Y933 PolarHBondContact O-OH 2.98Å; Y865-Y933 HydrophobicContact CD2-CE1 4.42Å; Y865-Y933 AromaticContact CE2-CE1 3.68Å; Y865-Y933 HydrophobicContact CE2-CE1 3.68Å; V912-Y933 WeakPolarHBondContact CA-OH 3.28Å; W913-Y933 HydrophobicContact CB-CE2 4.19Å; W913-Y933 PolarHBondContact N-OH 3.21Å; W913-Y933 WeakPolarHBondContact O-CE2 3.26Å; L928-Y933 HydrophobicContact CD2-CE2 4.35Å; D929-Y933 WeakPolarHBondContact O-CD2 3.47Å; D929-Y933 PolarHBondContact O-N 3.24Å; Y930-Y933 PolarHBondContact O-N 3.11Å; E931-Y933 VanDerWaalsContact C-N 3.3Å; E931-Y933 PolarHBondContact O-N 2.98Å; Y933-Q937 HydrophobicContact CD1-CG 3.9Å; Y933-Q937 WeakPolarHBondContact O-CA 3.15Å; Y933-Q937 WeakPolarHBondContact O-CB 3.19Å; Y933-Q937 PolarHBondContact O-N 2.9Å; Y933-L938 PolarHBondContact O-N 3.32Å
934L96.5Very high96.1Very high11 Ų1144.5 Ų44.56%0.05821%0.211CC..Iπ-helixtrans-59.7-54.3174.2-178.558.6000111I851 L854 M855 Y930 E931 L938 Q939 F953 M957I851-L934 HydrophobicContact CB-CD1 4.42Å; I851-L934 HydrophobicContact CD1-CD1 4.16Å; I851-L934 HydrophobicContact CG1-CD1 3.78Å; I851-L934 HydrophobicContact CG2-CD1 3.96Å; L854-L934 HydrophobicContact CD2-CB 4.13Å; M855-L934 HydrophobicContact SD-CD2 4.11Å; Y930-L934 WeakPolarHBondContact O-CB 3.4Å; Y930-L934 PolarHBondContact O-N 3.38Å; E931-L934 WeakPolarHBondContact O-CB 3.34Å; E931-L934 PolarHBondContact O-N 2.95Å; L934-L938 HydrophobicContact CD1-CD1 4.2Å; L934-L938 PolarHBondContact O-N 3.04Å; L934-Q939 WeakPolarHBondContact O-CB 3.21Å; L934-Q939 PolarHBondContact O-N 3.37Å; L934-F953 HydrophobicContact CD1-CE1 4.34Å; L934-F953 HydrophobicContact CD1-CZ 3.99Å; L934-M957 HydrophobicContact CD1-SD 3.7Å; L934-M957 HydrophobicContact CD2-CE 3.95Å; L934-M957 HydrophobicContact CD2-SD 3.6Å; L934-M957 VanDerWaalsContact CD2-SD 3.6Å; L934-M957 HydrophobicContact CG-CE 4.34Å; L934-M957 HydrophobicContact CG-SD 3.81Å
935T95.4Very high96.2Very high24 Ų2440.9 Ų40.915%0.14719%0.194CC..Iπ-helixtrans-78-29.8-172.7-610000113.4E931 P940E931-T935 WeakPolarHBondContact O-CB 3.31Å; E931-T935 PolarHBondContact O-N 3.42Å; E931-T935 PolarHBondContact O-OG1 3.49Å; E931-T935 WeakPolarHBondContact OE1-CB 3.07Å; E931-T935 PolarHBondContact OE1-OG1 3.32Å; T935-P940 WeakPolarHBondContact O-CD 3.4Å; T935-P940 WeakPolarHBondContact O-CG 3.42Å
936R96.2Very high96.2Very high145 Ų14533 Ų3355%0.54716%0.164SC..Iπ-helixtrans-107.6-19.8-173.9-50.8-57.3179.9-172.7-2114.2H932 P940H932-R936 WeakPolarHBondContact O-CA 3.47Å; H932-R936 WeakPolarHBondContact O-CB 3.34Å; H932-R936 VanDerWaalsContact O-CG 3.27Å; H932-R936 WeakPolarHBondContact O-CG 3.08Å; H932-R936 PolarHBondContact O-N 3.41Å; R936-P940 WeakPolarHBondContact O-CG 3.46Å
937Q96.8Very high96.1Very high8 Ų836.2 Ų36.24%0.03719%0.185CC..Iπ-helixtrans-110.7-53.4178.4-62-60.2117.100112.9T823 L825 A826 Y865 Y933 V941T823-Q937 HydrophobicContact CG2-CG 4.18Å; T823-Q937 PolarHBondContact OG1-NE2 3.39Å; L825-Q937 HydrophobicContact CD2-CB 4.43Å; A826-Q937 HydrophobicContact CB-CB 4.11Å; Y865-Q937 WeakPolarHBondContact OH-CG 3.17Å; Y865-Q937 PolarHBondContact OH-OE1 2.81Å; Y933-Q937 HydrophobicContact CD1-CG 3.9Å; Y933-Q937 WeakPolarHBondContact O-CA 3.15Å; Y933-Q937 WeakPolarHBondContact O-CB 3.19Å; Y933-Q937 PolarHBondContact O-N 2.9Å; Q937-V941 WeakPolarHBondContact O-CG2 3.15Å
938L97.4Very high96Very high0 Ų034.8 Ų34.80%017%0.17CC..Iπ-helixtrans-79-53-176.4-62.1-174.8000112.9L825 F829 T850 I851 L854 Y933 L934 V941 A942 F953L825-L938 HydrophobicContact CD1-CD2 4.01Å; L825-L938 HydrophobicContact CD2-CD2 4Å; L825-L938 HydrophobicContact CD2-CG 4.16Å; L825-L938 HydrophobicContact CG-CD2 3.75Å; L825-L938 HydrophobicContact CG-CG 4.46Å; F829-L938 HydrophobicContact CB-CD2 3.78Å; F829-L938 HydrophobicContact CD1-CB 4.42Å; F829-L938 HydrophobicContact CD1-CD2 3.66Å; F829-L938 HydrophobicContact CD2-CD2 4.11Å; F829-L938 HydrophobicContact CE1-CB 4.29Å; F829-L938 HydrophobicContact CE1-CD2 4.24Å; F829-L938 HydrophobicContact CG-CD2 3.58Å; T850-L938 HydrophobicContact CG2-CD1 4.14Å; T850-L938 HydrophobicContact CG2-CD2 4.27Å; I851-L938 HydrophobicContact CG1-CD1 4.26Å; L854-L938 HydrophobicContact CD2-CD1 3.63Å; L854-L938 HydrophobicContact CD2-CG 4.27Å; Y933-L938 PolarHBondContact O-N 3.32Å; L934-L938 HydrophobicContact CD1-CD1 4.2Å; L934-L938 PolarHBondContact O-N 3.04Å; L938-V941 WeakPolarHBondContact O-CB 3.42Å; L938-V941 PolarHBondContact O-N 3.15Å; L938-V941 VanDerWaalsContact O-N 3.07Å; L938-A942 PolarHBondContact O-N 3.49Å; L938-A942 VanDerWaalsContact O-N 3.08Å; L938-F953 HydrophobicContact CB-CZ 4.4Å
939Q95.9Very high95.8Very high49 Ų4936.3 Ų36.323%0.22918%0.178CC..Hα-helixtrans-52.8-48.4-178174.3178.7-11.600112.6L934 V941 A942 E943 F953L934-Q939 WeakPolarHBondContact O-CB 3.21Å; L934-Q939 PolarHBondContact O-N 3.37Å; Q939-V941 PolarHBondContact O-N 2.91Å; Q939-V941 VanDerWaalsContact O-N 3.16Å; Q939-A942 PolarHBondContact O-N 3.02Å; Q939-E943 HydrophobicContact CG-CG 4.1Å; Q939-E943 VanDerWaalsContact CG-OE1 3.3Å; Q939-E943 WeakPolarHBondContact CG-OE1 3.42Å; Q939-E943 PolarHBondContact NE2-OE1 3.31Å; Q939-E943 WeakPolarHBondContact O-CB 3.4Å; Q939-E943 WeakPolarHBondContact O-CG 3.43Å; Q939-E943 PolarHBondContact O-N 3.34Å; Q939-F953 HydrophobicContact CB-CD1 3.79Å; Q939-F953 HydrophobicContact CB-CE1 3.55Å; Q939-F953 HydrophobicContact CB-CZ 4.26Å; Q939-F953 HydrophobicContact CG-CD1 3.74Å; Q939-F953 HydrophobicContact CG-CE1 4.02Å
940P94.9Very high95.5Very high14 Ų1443.9 Ų43.99%0.09121%0.212CC..Hα-helixtrans-70.7-15.8-176.3-19.835.5000114.1W822 T935 R936W822-P940 HydrophobicContact CH2-CB 4.31Å; T935-P940 WeakPolarHBondContact O-CD 3.4Å; T935-P940 WeakPolarHBondContact O-CG 3.42Å; R936-P940 WeakPolarHBondContact O-CG 3.46Å
941V96.1Very high95.3Very high1 Ų142.2 Ų42.21%0.00621%0.207CC..Hα-helixtrans-80.4-47.6172167.60000109.9E816 A826 F829 Q830 Q937 L938 Q939 G944E816-V941 HydrophobicContact CB-CG2 4.35Å; E816-V941 HydrophobicContact CG-CG2 4.18Å; A826-V941 HydrophobicContact CB-CG2 4.24Å; F829-V941 HydrophobicContact CD1-CB 3.91Å; F829-V941 HydrophobicContact CD1-CG1 3.6Å; F829-V941 HydrophobicContact CE1-CB 4.18Å; F829-V941 HydrophobicContact CE1-CG1 3.96Å; Q830-V941 HydrophobicContact CB-CG1 3.47Å; Q830-V941 VanDerWaalsContact CB-CG1 3.47Å; Q830-V941 HydrophobicContact CB-CG2 4.32Å; Q830-V941 HydrophobicContact CG-CG1 3.88Å; Q937-V941 WeakPolarHBondContact O-CG2 3.15Å; L938-V941 WeakPolarHBondContact O-CB 3.42Å; L938-V941 PolarHBondContact O-N 3.15Å; L938-V941 VanDerWaalsContact O-N 3.07Å; Q939-V941 PolarHBondContact O-N 2.91Å; Q939-V941 VanDerWaalsContact O-N 3.16Å; V941-G944 PolarHBondContact O-N 3.46Å; V941-G944 VanDerWaalsContact O-N 3.15Å
942A95.6Very high95.1Very high0 Ų041.5 Ų41.50%021%0.206CC..Hα-helixtrans-63-45.817900000111.9F829 L833 L938 Q939 G944 I945 L946 F953F829-A942 HydrophobicContact CE1-CB 4.18Å; F829-A942 HydrophobicContact CZ-CB 4.45Å; L833-A942 HydrophobicContact CD2-CB 4.39Å; L938-A942 PolarHBondContact O-N 3.49Å; L938-A942 VanDerWaalsContact O-N 3.08Å; Q939-A942 PolarHBondContact O-N 3.02Å; A942-G944 PolarHBondContact O-N 3.17Å; A942-G944 VanDerWaalsContact O-N 3.08Å; A942-I945 PolarHBondContact O-N 3.14Å; A942-L946 HydrophobicContact CB-CD1 3.88Å; A942-L946 HydrophobicContact CB-CG 4.26Å; A942-L946 WeakPolarHBondContact O-CB 2.87Å; A942-L946 WeakPolarHBondContact O-CG 3.3Å; A942-L946 PolarHBondContact O-N 3.4Å; A942-F953 HydrophobicContact CB-CB 4.08Å; A942-F953 HydrophobicContact CB-CD2 3.23Å; A942-F953 HydrophobicContact CB-CE2 3.81Å; A942-F953 HydrophobicContact CB-CG 3.83Å
943E93.7Very high94.8Very high87 Ų8740.9 Ų40.941%0.40720%0.203SC..THydrogen-bonded Turntrans-60-20.1175.4-71.2176.2166.500113.4Q939 I945 P947Q939-E943 HydrophobicContact CG-CG 4.1Å; Q939-E943 VanDerWaalsContact CG-OE1 3.3Å; Q939-E943 WeakPolarHBondContact CG-OE1 3.42Å; Q939-E943 PolarHBondContact NE2-OE1 3.31Å; Q939-E943 WeakPolarHBondContact O-CB 3.4Å; Q939-E943 WeakPolarHBondContact O-CG 3.43Å; Q939-E943 PolarHBondContact O-N 3.34Å; E943-I945 VanDerWaalsContact C-N 3.3Å; E943-I945 PolarHBondContact O-N 2.85Å; E943-P947 VanDerWaalsContact O-CD 3.31Å; E943-P947 WeakPolarHBondContact O-CD 3.27Å; E943-P947 WeakPolarHBondContact O-CG 3.3Å
944G93.5Very high94.3Very high17 Ų1743.5 Ų43.518%0.17523%0.225CC..THydrogen-bonded Turntrans-74.8-15.1176.700000114.5V941 A942V941-G944 PolarHBondContact O-N 3.46Å; V941-G944 VanDerWaalsContact O-N 3.15Å; A942-G944 PolarHBondContact O-N 3.17Å; A942-G944 VanDerWaalsContact O-N 3.08Å
945I95.9Very high93.9Very high0 Ų047.4 Ų47.40%025%0.249CC..THydrogen-bonded Turntrans-134.9-38.7-175.2-165.8168.5000114.5L783 L833 Y834 I837 A942 E943 P947 F948L783-I945 HydrophobicContact CD1-CG1 4.08Å; L783-I945 HydrophobicContact CD2-CB 4.07Å; L783-I945 HydrophobicContact CD2-CD1 3.95Å; L783-I945 HydrophobicContact CD2-CG1 3.88Å; L833-I945 HydrophobicContact CD2-CG2 3.86Å; L833-I945 HydrophobicContact CG-CG2 4.2Å; Y834-I945 HydrophobicContact CD1-CD1 4Å; Y834-I945 HydrophobicContact CD2-CB 4.34Å; Y834-I945 HydrophobicContact CD2-CD1 3.65Å; Y834-I945 HydrophobicContact CD2-CG2 4.06Å; Y834-I945 HydrophobicContact CE1-CD1 4.17Å; Y834-I945 HydrophobicContact CE2-CB 3.7Å; Y834-I945 HydrophobicContact CE2-CD1 3.82Å; Y834-I945 HydrophobicContact CE2-CG1 4.35Å; Y834-I945 HydrophobicContact CE2-CG2 3.6Å; Y834-I945 HydrophobicContact CG-CD1 3.74Å; I837-I945 HydrophobicContact CB-CD1 3.99Å; I837-I945 HydrophobicContact CD1-CB 4.45Å; I837-I945 HydrophobicContact CD1-CD1 3.75Å; I837-I945 HydrophobicContact CD1-CG1 3.89Å; I837-I945 HydrophobicContact CD1-CG2 3.75Å; I837-I945 HydrophobicContact CG1-CD1 4.47Å; I837-I945 HydrophobicContact CG2-CD1 3.8Å; I837-I945 HydrophobicContact CG2-CG1 4.23Å; A942-I945 PolarHBondContact O-N 3.14Å; E943-I945 VanDerWaalsContact C-N 3.3Å; E943-I945 PolarHBondContact O-N 2.85Å; I945-P947 VanDerWaalsContact C-CD 3.42Å; I945-F948 PolarHBondContact O-N 3.42Å; I945-F948 VanDerWaalsContact O-N 3.13Å
946L95.5Very high93.3Very high1 Ų146.8 Ų46.81%0.00525%0.245CC..G310 helixtrans-57.2-38-175.7-65.2-174.3000114.5I837 Y843 I847 A942 F948 I949 E950 D951 F953 L956I837-L946 HydrophobicContact CD1-CD2 4.09Å; Y843-L946 HydrophobicContact CD2-CD2 3.89Å; Y843-L946 HydrophobicContact CE2-CD2 3.45Å; Y843-L946 VanDerWaalsContact CE2-CD2 3.45Å; I847-L946 HydrophobicContact CD1-CD1 3.99Å; I847-L946 HydrophobicContact CD1-CD2 4.1Å; A942-L946 HydrophobicContact CB-CD1 3.88Å; A942-L946 HydrophobicContact CB-CG 4.26Å; A942-L946 WeakPolarHBondContact O-CB 2.87Å; A942-L946 WeakPolarHBondContact O-CG 3.3Å; A942-L946 PolarHBondContact O-N 3.4Å; L946-F948 PolarHBondContact O-N 2.87Å; L946-F948 VanDerWaalsContact O-N 3.08Å; L946-I949 HydrophobicContact CD2-CD1 4.14Å; L946-I949 WeakPolarHBondContact O-CG1 3.47Å; L946-I949 PolarHBondContact O-N 2.8Å; L946-E950 PolarHBondContact O-N 3.15Å; L946-D951 CarbonylContact C-O 3.47Å; L946-D951 VanDerWaalsContact C-O 3.31Å; L946-D951 HydrophobicContact CB-CB 4.36Å; L946-D951 PolarHBondContact O-N 2.89Å; L946-F953 HydrophobicContact CD1-CB 4.09Å; L946-F953 HydrophobicContact CD1-CD2 4.41Å; L946-L956 HydrophobicContact CD1-CD1 4Å
947P94.5Very high92.6Very high80 Ų8041.5 Ų41.552%0.51923%0.227SC..G310 helixtrans-58.8-24.9178.4-27.637000114.5E943 I945 I949 E950E943-P947 VanDerWaalsContact O-CD 3.31Å; E943-P947 WeakPolarHBondContact O-CD 3.27Å; E943-P947 WeakPolarHBondContact O-CG 3.3Å; I945-P947 VanDerWaalsContact C-CD 3.42Å; P947-I949 VanDerWaalsContact C-N 3.27Å; P947-I949 PolarHBondContact O-N 3.16Å; P947-E950 PolarHBondContact O-N 3.44Å
948F94.1Very high91.5Very high57 Ų5745.6 Ų45.625%0.2525%0.253CS..G310 helixtrans-80-7.3-179.8-60.8-69.9000114.3P590 L592 L783 T786 I945 L946P590-F948 HydrophobicContact CB-CE1 3.97Å; P590-F948 HydrophobicContact CB-CZ 4.03Å; L592-F948 HydrophobicContact CB-CB 3.93Å; L783-F948 HydrophobicContact CD1-CD2 3.6Å; L783-F948 HydrophobicContact CD1-CE2 3.89Å; L783-F948 HydrophobicContact CD1-CG 4.27Å; T786-F948 HydrophobicContact CG2-CZ 4.05Å; I945-F948 PolarHBondContact O-N 3.42Å; I945-F948 VanDerWaalsContact O-N 3.13Å; L946-F948 PolarHBondContact O-N 2.87Å; L946-F948 VanDerWaalsContact O-N 3.08Å
949I93.7Very high90Very high52 Ų5247.8 Ų47.827%0.26728%0.276SS..G310 helixtrans-121.721.9174.657.1-179.1000111L592 I837 Y843 L946 P947 D951L592-I949 HydrophobicContact CD2-CG2 3.52Å; I837-I949 HydrophobicContact CD1-CD1 3.64Å; I837-I949 HydrophobicContact CG1-CD1 3.85Å; I837-I949 HydrophobicContact CG2-CD1 4.22Å; I837-I949 HydrophobicContact CG2-CG2 4.34Å; Y843-I949 HydrophobicContact CD1-CD1 4.25Å; Y843-I949 HydrophobicContact CE1-CD1 3.38Å; Y843-I949 HydrophobicContact CE2-CD1 4.16Å; Y843-I949 WeakPolarHBondContact OH-CD1 3.19Å; L946-I949 HydrophobicContact CD2-CD1 4.14Å; L946-I949 WeakPolarHBondContact O-CG1 3.47Å; L946-I949 PolarHBondContact O-N 2.8Å; P947-I949 VanDerWaalsContact C-N 3.27Å; P947-I949 PolarHBondContact O-N 3.16Å; I949-D951 HydrophobicContact CG1-CB 4.45Å; I949-D951 PolarHBondContact O-N 3.31Å
950E92.6Very high88.1Confident197 Ų19746.7 Ų46.792%0.92127%0.27SS*.THydrogen-bonded Turntrans58.128.1176.8-56.8-178.5-179.700114.3L946 P947L946-E950 PolarHBondContact O-N 3.15Å; P947-E950 PolarHBondContact O-N 3.44Å
951D92.5Very high86.2Confident23 Ų2351.2 Ų51.212%0.12329%0.294CS..  trans-109.5159.5173.5-155.5-10.8000111Y843 Q844 L946 I949Y843-D951 HydrophobicContact CE2-CB 4.45Å; Y843-D951 VanDerWaalsContact CE2-OD2 3.3Å; Y843-D951 WeakPolarHBondContact CE2-OD2 3.21Å; Y843-D951 VanDerWaalsContact OH-CB 3.26Å; Y843-D951 WeakPolarHBondContact OH-CB 3.41Å; Y843-D951 PolarHBondContact OH-OD2 3.21Å; Q844-D951 PolarHBondContact NE2-OD2 2.89Å; L946-D951 CarbonylContact C-O 3.47Å; L946-D951 VanDerWaalsContact C-O 3.31Å; L946-D951 HydrophobicContact CB-CB 4.36Å; L946-D951 PolarHBondContact O-N 2.89Å; I949-D951 HydrophobicContact CG1-CB 4.45Å; I949-D951 PolarHBondContact O-N 3.31Å
952N90.8Very high83.8Confident87 Ų8754.2 Ų54.247%0.46533%0.325SS..  trans-135.7124.3-175-170.4-57.4000111.1A954 T955 L956N952-A954 VanDerWaalsContact C-N 3.28Å; N952-A954 PolarHBondContact O-N 3.43Å; N952-A954 WeakPolarHBondContact OD1-CA 3.47Å; N952-A954 VanDerWaalsContact OD1-CB 3.26Å; N952-A954 WeakPolarHBondContact OD1-CB 3.43Å; N952-A954 PolarHBondContact OD1-N 3.12Å; N952-T955 WeakPolarHBondContact O-CB 3.49Å; N952-T955 PolarHBondContact O-N 3.11Å; N952-L956 PolarHBondContact O-N 2.96Å; N952-L956 VanDerWaalsContact O-N 3.16Å
953F91.5Very high81.3Confident5 Ų561.3 Ų61.32%0.02236%0.362CS..Hα-helixtrans-59-37.8-179.6-172.2-101.2000113I847 I851 L934 L938 Q939 A942 L946 T955 L956 M957I847-F953 HydrophobicContact CG2-CD2 4.16Å; I847-F953 HydrophobicContact CG2-CE2 3.78Å; I851-F953 HydrophobicContact CD1-CE2 3.85Å; I851-F953 HydrophobicContact CD1-CZ 3.69Å; I851-F953 HydrophobicContact CG1-CZ 4.34Å; L934-F953 HydrophobicContact CD1-CE1 4.34Å; L934-F953 HydrophobicContact CD1-CZ 3.99Å; L938-F953 HydrophobicContact CB-CZ 4.4Å; Q939-F953 HydrophobicContact CB-CD1 3.79Å; Q939-F953 HydrophobicContact CB-CE1 3.55Å; Q939-F953 HydrophobicContact CB-CZ 4.26Å; Q939-F953 HydrophobicContact CG-CD1 3.74Å; Q939-F953 HydrophobicContact CG-CE1 4.02Å; A942-F953 HydrophobicContact CB-CB 4.08Å; A942-F953 HydrophobicContact CB-CD2 3.23Å; A942-F953 HydrophobicContact CB-CE2 3.81Å; A942-F953 HydrophobicContact CB-CG 3.83Å; L946-F953 HydrophobicContact CD1-CB 4.09Å; L946-F953 HydrophobicContact CD1-CD2 4.41Å; F953-T955 VanDerWaalsContact C-N 3.3Å; F953-T955 PolarHBondContact O-N 2.99Å; F953-L956 PolarHBondContact O-N 3.46Å; F953-M957 HydrophobicContact CD1-CG 3.97Å; F953-M957 HydrophobicContact CD1-SD 4.47Å; F953-M957 HydrophobicContact CE1-CE 4.48Å; F953-M957 HydrophobicContact CE1-CG 3.66Å; F953-M957 HydrophobicContact CE1-SD 3.67Å; F953-M957 HydrophobicContact CZ-CG 4.13Å; F953-M957 HydrophobicContact CZ-SD 4.12Å; F953-M957 VanDerWaalsContact O-CG 3.3Å; F953-M957 WeakPolarHBondContact O-CG 3.38Å; F953-M957 PolarHBondContact O-N 2.97Å
954A88Confident78.6Confident55 Ų5567.6 Ų67.646%0.45539%0.388SS..Hα-helixtrans-65.9-34.617800000111.8N952 M957 T958N952-A954 VanDerWaalsContact C-N 3.28Å; N952-A954 PolarHBondContact O-N 3.43Å; N952-A954 WeakPolarHBondContact OD1-CA 3.47Å; N952-A954 VanDerWaalsContact OD1-CB 3.26Å; N952-A954 WeakPolarHBondContact OD1-CB 3.43Å; N952-A954 PolarHBondContact OD1-N 3.12Å; A954-M957 PolarHBondContact O-N 3.26Å; A954-T958 WeakPolarHBondContact O-CB 3.42Å; A954-T958 PolarHBondContact O-N 3.02Å; A954-T958 PolarHBondContact O-OG1 2.66Å
955T86.5Confident77.9Confident93 Ų9370.2 Ų70.257%0.57140%0.399SS*.Hα-helixtrans-67.4-41.7175.4-54.60000111.1N952 F953 M957 T958 G959N952-T955 WeakPolarHBondContact O-CB 3.49Å; N952-T955 PolarHBondContact O-N 3.11Å; F953-T955 VanDerWaalsContact C-N 3.3Å; F953-T955 PolarHBondContact O-N 2.99Å; T955-M957 VanDerWaalsContact C-N 3.34Å; T955-M957 PolarHBondContact O-N 2.91Å; T955-T958 PolarHBondContact O-N 2.63Å; T955-G959 PolarHBondContact O-N 3.18Å
956L84.5Confident77Confident11 Ų1173.8 Ų73.86%0.05842%0.42CS..Hα-helixtrans-63.4-38.5175.6-66.8175000112.4Q844 I847 L946 N952 F953Q844-L956 HydrophobicContact CB-CD2 4.01Å; Q844-L956 HydrophobicContact CG-CD1 4.49Å; Q844-L956 HydrophobicContact CG-CD2 3.78Å; I847-L956 HydrophobicContact CD1-CD1 3.83Å; I847-L956 HydrophobicContact CG2-CD1 4.29Å; L946-L956 HydrophobicContact CD1-CD1 4Å; N952-L956 PolarHBondContact O-N 2.96Å; N952-L956 VanDerWaalsContact O-N 3.16Å; F953-L956 PolarHBondContact O-N 3.46Å
957M80.5Confident75.9Confident34 Ų3477.9 Ų77.917%0.16744%0.443CS..Hα-helixtrans-66.3-46.3173-67.4-121.8-59.100112.5I851 L934 F953 A954 T955 G959 Q960 L961I851-M957 HydrophobicContact CD1-CG 4.16Å; I851-M957 HydrophobicContact CD1-SD 4.21Å; L934-M957 HydrophobicContact CD1-SD 3.7Å; L934-M957 HydrophobicContact CD2-CE 3.95Å; L934-M957 HydrophobicContact CD2-SD 3.6Å; L934-M957 VanDerWaalsContact CD2-SD 3.6Å; L934-M957 HydrophobicContact CG-CE 4.34Å; L934-M957 HydrophobicContact CG-SD 3.81Å; F953-M957 HydrophobicContact CD1-CG 3.97Å; F953-M957 HydrophobicContact CD1-SD 4.47Å; F953-M957 HydrophobicContact CE1-CE 4.48Å; F953-M957 HydrophobicContact CE1-CG 3.66Å; F953-M957 HydrophobicContact CE1-SD 3.67Å; F953-M957 HydrophobicContact CZ-CG 4.13Å; F953-M957 HydrophobicContact CZ-SD 4.12Å; F953-M957 VanDerWaalsContact O-CG 3.3Å; F953-M957 WeakPolarHBondContact O-CG 3.38Å; F953-M957 PolarHBondContact O-N 2.97Å; A954-M957 PolarHBondContact O-N 3.26Å; T955-M957 VanDerWaalsContact C-N 3.34Å; T955-M957 PolarHBondContact O-N 2.91Å; M957-G959 VanDerWaalsContact C-N 3.29Å; M957-G959 PolarHBondContact O-N 3.14Å; M957-Q960 PolarHBondContact O-N 3.32Å; M957-Q960 VanDerWaalsContact O-N 3.12Å; M957-L961 HydrophobicContact CB-CD1 4.38Å; M957-L961 PolarHBondContact O-N 3.38Å
958T74.3Confident74.8Confident94 Ų9477.8 Ų77.858%0.57744%0.438SS*.Hα-helixtrans-65.1-34.8-176.6-48.40000111.6A954 T955 Q960 G962A954-T958 WeakPolarHBondContact O-CB 3.42Å; A954-T958 PolarHBondContact O-N 3.02Å; A954-T958 PolarHBondContact O-OG1 2.66Å; T955-T958 PolarHBondContact O-N 2.63Å; T958-Q960 PolarHBondContact O-N 3.19Å; T958-G962 PolarHBondContact O-N 3.14Å
959G64.5Low73.6Confident47 Ų4779.1 Ų79.149%0.48545%0.45SS..Hα-helixtrans-63.7-18.7176.300000114.4T955 M957T955-G959 PolarHBondContact O-N 3.18Å; M957-G959 VanDerWaalsContact C-N 3.29Å; M957-G959 PolarHBondContact O-N 3.14Å
960Q58Low72.3Confident25 Ų2580.9 Ų80.912%0.11746%0.462CS..Hα-helixtrans-103.3-43-179.6-165.4169.925.400111.3R848 D852 M957 T958 G962 L963 F964R848-Q960 PolarHBondContact O-NE2 3.12Å; D852-Q960 VanDerWaalsContact OD1-CD 3.31Å; D852-Q960 PolarHBondContact OD1-NE2 3.03Å; D852-Q960 PolarHBondContact OD2-NE2 3.13Å; M957-Q960 PolarHBondContact O-N 3.32Å; M957-Q960 VanDerWaalsContact O-N 3.12Å; T958-Q960 PolarHBondContact O-N 3.19Å; Q960-G962 VanDerWaalsContact C-N 3.3Å; Q960-G962 PolarHBondContact O-N 3.28Å; Q960-L963 PolarHBondContact O-N 3.13Å; Q960-F964 WeakPolarHBondContact O-CD2 3.31Å
961L54.2Low70.8Confident110 Ų11072.6 Ų72.658%0.57643%0.43SS*.Hα-helixtrans-69.9-24.7175-81.4148.7000113M957 L963 F964M957-L961 HydrophobicContact CB-CD1 4.38Å; M957-L961 PolarHBondContact O-N 3.38Å; L961-L963 PolarHBondContact O-N 3.46Å; L961-F964 PolarHBondContact O-N 3.47Å; L961-F964 VanDerWaalsContact O-OXT 3.08Å
962G45.9Very low69.2Low64 Ų6476.4 Ų76.466%0.6645%0.453SS*.THydrogen-bonded Turntrans-73.2-1.8174.200000114.8T958 Q960T958-G962 PolarHBondContact O-N 3.14Å; Q960-G962 VanDerWaalsContact C-N 3.3Å; Q960-G962 PolarHBondContact O-N 3.28Å
963L42.5Very low67.4Low149 Ų14975.5 Ų75.578%0.7845%0.452SS*.THydrogen-bonded Turntrans-109.52.7176-82.6159.8000113.3Q960 L961Q960-L963 PolarHBondContact O-N 3.13Å; L961-L963 PolarHBondContact O-N 3.46Å
964F38.1Very low65.2Low219 Ų21981.9 Ų81.996%0.96149%0.491SS*.  trans-117.80169.2-67.1-76.9000110Q960 L961Q960-F964 WeakPolarHBondContact O-CD2 3.31Å; L961-F964 PolarHBondContact O-N 3.47Å; L961-F964 VanDerWaalsContact O-OXT 3.08Å

Retrieved 964 of 964 residues in 1410.7 ms (Link to these results)

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