A0A077ZKY3_TRITR Loading...

Anaerobic ribonucleoside triphosphate reductase

AlphaFold DB , UniProt , Accession A0A077ZKY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 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
1M94Very high97.6Very high140 Ų14072.3 Ų72.369%0.6939%0.389SS*.  0-30.20-64.2-53.6-82.300114.2P3 F4 I75M1-P3 VanDerWaalsContact C-CD 3.45Å; M1-F4 HydrophobicContact CE-CD2 4.29Å; M1-F4 PolarHBondContact O-N 3.22Å; M1-F4 HydrophobicContact SD-CD2 3.91Å; M1-F4 HydrophobicContact SD-CE2 4.13Å; M1-I75 HydrophobicContact CB-CD1 3.69Å
2A96.5Very high97.6Very high23 Ų2367.8 Ų67.819%0.1936%0.364CS..Hα-helixtrans-48.5-42.6-178.600000115.9F4 V5 T6 E71 I75A2-F4 PolarHBondContact O-N 3.46Å; A2-F4 VanDerWaalsContact O-N 3.15Å; A2-V5 WeakPolarHBondContact O-CB 3.49Å; A2-V5 PolarHBondContact O-N 2.86Å; A2-T6 PolarHBondContact O-N 3.04Å; A2-T6 VanDerWaalsContact O-N 3.15Å; A2-T6 PolarHBondContact O-OG1 2.68Å; A2-E71 HydrophobicContact CB-CB 3.81Å; A2-I75 HydrophobicContact CB-CD1 4.42Å
3P97.9Very high97.6Very high94 Ų9470.5 Ų70.561%0.6137%0.366SS*.Hα-helixtrans-59.2-30.2178.5-26.536.1000114.5M1 T6 A7M1-P3 VanDerWaalsContact C-CD 3.45Å; P3-T6 PolarHBondContact O-N 3.46Å; P3-A7 PolarHBondContact O-N 3.16Å
4F97.9Very high97.7Very high140 Ų14075.4 Ų75.461%0.61438%0.383SS*.Hα-helixtrans-74.4-31.1177.9-57.6-66.7000112M1 A2 A7 S8M1-F4 HydrophobicContact CE-CD2 4.29Å; M1-F4 PolarHBondContact O-N 3.22Å; M1-F4 HydrophobicContact SD-CD2 3.91Å; M1-F4 HydrophobicContact SD-CE2 4.13Å; A2-F4 PolarHBondContact O-N 3.46Å; A2-F4 VanDerWaalsContact O-N 3.15Å; F4-A7 WeakPolarHBondContact O-CB 3.4Å; F4-A7 PolarHBondContact O-N 2.9Å; F4-S8 PolarHBondContact O-N 3.48Å; F4-S8 PolarHBondContact O-OG 3.43Å
5V98.1Very high97.7Very high13 Ų1373 Ų738%0.07937%0.374CS..Hα-helixtrans-66.7-43.1172.3-179.30000110.1A2 A7 S8 Y9 T32 W70 E71 L74 I75A2-V5 WeakPolarHBondContact O-CB 3.49Å; A2-V5 PolarHBondContact O-N 2.86Å; V5-A7 VanDerWaalsContact C-N 3.29Å; V5-A7 PolarHBondContact O-N 2.81Å; V5-S8 PolarHBondContact O-N 3.39Å; V5-Y9 PolarHBondContact O-N 3.09Å; V5-T32 HydrophobicContact CG1-CG2 3.72Å; V5-W70 HydrophobicContact CG1-CZ3 3.91Å; V5-E71 HydrophobicContact CB-CB 3.79Å; V5-E71 HydrophobicContact CB-CG 3.8Å; V5-E71 HydrophobicContact CG1-CB 3.87Å; V5-E71 HydrophobicContact CG1-CG 3.75Å; V5-E71 HydrophobicContact CG2-CB 4.34Å; V5-L74 HydrophobicContact CG1-CD2 4.04Å; V5-I75 HydrophobicContact CG2-CD1 3.86Å; V5-I75 HydrophobicContact CG2-CG1 3.94Å
6T98Very high97.7Very high48 Ų4868.4 Ų68.429%0.29435%0.35SS..Hα-helixtrans-59.8-40.7173.2-47.80000111.2A2 P3 Y9 N10 E71A2-T6 PolarHBondContact O-N 3.04Å; A2-T6 VanDerWaalsContact O-N 3.15Å; A2-T6 PolarHBondContact O-OG1 2.68Å; P3-T6 PolarHBondContact O-N 3.46Å; T6-Y9 PolarHBondContact O-N 3.46Å; T6-N10 VanDerWaalsContact O-CG 3.3Å; T6-N10 PolarHBondContact O-N 2.93Å; T6-N10 PolarHBondContact O-ND2 3.06Å; T6-E71 PolarHBondContact OG1-OE1 3.31Å
7A98.2Very high97.7Very high55 Ų5570.3 Ų70.346%0.45536%0.357SS..Hα-helixtrans-63.1-43.9175.900000112.3P3 F4 V5 N10 K11P3-A7 PolarHBondContact O-N 3.16Å; F4-A7 WeakPolarHBondContact O-CB 3.4Å; F4-A7 PolarHBondContact O-N 2.9Å; V5-A7 VanDerWaalsContact C-N 3.29Å; V5-A7 PolarHBondContact O-N 2.81Å; A7-N10 PolarHBondContact O-N 3.11Å; A7-K11 WeakPolarHBondContact O-CB 3.48Å; A7-K11 PolarHBondContact O-N 3.27Å
8S98Very high97.7Very high24 Ų2473.8 Ų73.817%0.16837%0.372CS..Hα-helixtrans-62.5-41.6174.2-64.70000111.9F4 V5 N10 K11 H12 E35F4-S8 PolarHBondContact O-N 3.48Å; F4-S8 PolarHBondContact O-OG 3.43Å; V5-S8 PolarHBondContact O-N 3.39Å; S8-N10 PolarHBondContact O-N 3.34Å; S8-K11 WeakPolarHBondContact O-CB 3.34Å; S8-K11 PolarHBondContact O-N 2.69Å; S8-H12 PolarHBondContact O-CD2 3.31Å; S8-H12 PolarHBondContact O-N 3.16Å; S8-E35 WeakPolarHBondContact CB-OE1 3.45Å; S8-E35 PolarHBondContact OG-OE1 3.45Å
9Y98.4Very high97.7Very high41 Ų4179.6 Ų79.616%0.16139%0.389CS..Hα-helixtrans-57.8-50.4174.5179.7-94.9000112V5 T6 K11 H12 R13 A28 N29 T32 W70V5-Y9 PolarHBondContact O-N 3.09Å; T6-Y9 PolarHBondContact O-N 3.46Å; Y9-K11 VanDerWaalsContact C-N 3.27Å; Y9-K11 PolarHBondContact O-N 2.82Å; Y9-H12 PolarHBondContact O-N 2.78Å; Y9-H12 VanDerWaalsContact O-N 3.17Å; Y9-R13 PolarHBondContact O-N 2.94Å; Y9-A28 HydrophobicContact CD2-CB 3.89Å; Y9-A28 HydrophobicContact CE2-CB 3.55Å; Y9-N29 VanDerWaalsContact CE2-OD1 3.28Å; Y9-N29 WeakPolarHBondContact CE2-OD1 3.44Å; Y9-T32 VanDerWaalsContact CA-OG1 3.26Å; Y9-T32 WeakPolarHBondContact CA-OG1 3.39Å; Y9-W70 HydrophobicContact CD2-CH2 4.45Å
10N98.2Very high97.6Very high80 Ų8082.6 Ų82.643%0.42841%0.407SS..Hα-helixtrans-61.5-37.2178.9-69.9-25.7000111.9T6 A7 S8 K14T6-N10 VanDerWaalsContact O-CG 3.3Å; T6-N10 PolarHBondContact O-N 2.93Å; T6-N10 PolarHBondContact O-ND2 3.06Å; A7-N10 PolarHBondContact O-N 3.11Å; S8-N10 PolarHBondContact O-N 3.34Å; N10-K14 WeakPolarHBondContact O-CB 3.25Å; N10-K14 PolarHBondContact O-N 2.82Å
11K98.3Very high97.6Very high137 Ų13781.1 Ų81.160%0.59640%0.4SS*.Hα-helixtrans-63-45.9174.7-177.2-176176.2-173.60111.8A7 S8 Y9 T15A7-K11 WeakPolarHBondContact O-CB 3.48Å; A7-K11 PolarHBondContact O-N 3.27Å; S8-K11 WeakPolarHBondContact O-CB 3.34Å; S8-K11 PolarHBondContact O-N 2.69Å; Y9-K11 VanDerWaalsContact C-N 3.27Å; Y9-K11 PolarHBondContact O-N 2.82Å; K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 3.26Å
12H98.2Very high97.7Very high18 Ų1881 Ų818%0.08341%0.41CS..Hα-helixtrans-69.4-36.9178.5-70-53.4000112.6S8 Y9 T15 A16 Y27 A28 R31 E35S8-H12 PolarHBondContact O-CD2 3.31Å; S8-H12 PolarHBondContact O-N 3.16Å; Y9-H12 PolarHBondContact O-N 2.78Å; Y9-H12 VanDerWaalsContact O-N 3.17Å; H12-T15 WeakPolarHBondContact O-CB 3.41Å; H12-T15 PolarHBondContact O-N 3.24Å; H12-A16 PolarHBondContact O-N 2.8Å; H12-Y27 HydrophobicContact CB-CD1 4.5Å; H12-Y27 HydrophobicContact CB-CE1 4.27Å; H12-A28 HydrophobicContact CB-CB 4.08Å; H12-R31 HydrophobicContact CB-CB 4.19Å; H12-E35 IonicContact CD2-OE2 2.86Å; H12-E35 IonicContact CE1-OE2 2.66Å; H12-E35 PolarHBondContact CE1-OE2 3.1Å; H12-E35 IonicContact NE2-OE2 3.79Å; H12-E35 PolarHBondContact NE2-OE2 3.42Å
13R97.8Very high97.7Very high103 Ų10384.7 Ų84.739%0.38943%0.427SS..Hα-helixtrans-62.5-46.3175-160-168.677.2-171.4-6.1111.3Y9 T15 A16 E17 A28Y9-R13 PolarHBondContact O-N 2.94Å; R13-T15 VanDerWaalsContact C-N 3.27Å; R13-T15 PolarHBondContact O-N 3.03Å; R13-A16 WeakPolarHBondContact O-CB 3.47Å; R13-A16 PolarHBondContact O-N 3.23Å; R13-A16 VanDerWaalsContact O-N 3.11Å; R13-E17 IonicContact CZ-OE1 3.58Å; R13-E17 IonicContact NE-OE1 2.62Å; R13-E17 PolarHBondContact NE-OE1 3.45Å; R13-E17 IonicContact NH2-OE1 3.65Å; R13-E17 WeakPolarHBondContact O-CG 3.35Å; R13-E17 PolarHBondContact O-N 2.82Å; R13-A28 HydrophobicContact CB-CB 3.95Å; R13-A28 HydrophobicContact CG-CB 4.44Å
14K97.9Very high97.6Very high140 Ų14081.5 Ų81.561%0.60941%0.408SS*.Hα-helixtrans-58.5-40.2173.9-175.4179.6177.7-177.40111.9N10 E17 E18N10-K14 WeakPolarHBondContact O-CB 3.25Å; N10-K14 PolarHBondContact O-N 2.82Å; K14-E17 PolarHBondContact O-N 2.94Å; K14-E18 WeakPolarHBondContact O-CB 3.2Å; K14-E18 PolarHBondContact O-N 3.39Å
15T98.1Very high97.6Very high39 Ų3980.9 Ų80.924%0.23941%0.407CS..Hα-helixtrans-63.8-43.9175.7-53.50000110.8K11 H12 R13 E17 E18 W19K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 3.26Å; H12-T15 WeakPolarHBondContact O-CB 3.41Å; H12-T15 PolarHBondContact O-N 3.24Å; R13-T15 VanDerWaalsContact C-N 3.27Å; R13-T15 PolarHBondContact O-N 3.03Å; T15-E17 VanDerWaalsContact C-N 3.33Å; T15-E17 PolarHBondContact O-N 2.86Å; T15-E18 PolarHBondContact O-N 2.77Å; T15-W19 PolarHBondContact O-N 2.9Å
16A97.9Very high97.5Very high0 Ų081.5 Ų81.50%042%0.416CS..Hα-helixtrans-62.2-40.6177.200000113H12 R13 W19 N20 I21 A24 Y27H12-A16 PolarHBondContact O-N 2.8Å; R13-A16 WeakPolarHBondContact O-CB 3.47Å; R13-A16 PolarHBondContact O-N 3.23Å; R13-A16 VanDerWaalsContact O-N 3.11Å; A16-W19 PolarHBondContact O-N 3.02Å; A16-N20 PolarHBondContact O-N 3.29Å; A16-I21 HydrophobicContact CB-CB 4.03Å; A16-I21 HydrophobicContact CB-CD1 4.1Å; A16-I21 HydrophobicContact CB-CG1 4.32Å; A16-I21 PolarHBondContact O-N 3.18Å; A16-A24 HydrophobicContact CB-CB 3.63Å; A16-Y27 HydrophobicContact CB-CD1 3.7Å; A16-Y27 HydrophobicContact CB-CE1 4.37Å; A16-Y27 HydrophobicContact CB-CG 4.23Å
17E97.1Very high97.5Very high100 Ų10082.5 Ų82.547%0.46742%0.415SS..Hα-helixtrans-62.1-46.2174.5-69.1163.4-166.100111R13 K14 T15 W19 N20R13-E17 IonicContact CZ-OE1 3.58Å; R13-E17 IonicContact NE-OE1 2.62Å; R13-E17 PolarHBondContact NE-OE1 3.45Å; R13-E17 IonicContact NH2-OE1 3.65Å; R13-E17 WeakPolarHBondContact O-CG 3.35Å; R13-E17 PolarHBondContact O-N 2.82Å; K14-E17 PolarHBondContact O-N 2.94Å; T15-E17 VanDerWaalsContact C-N 3.33Å; T15-E17 PolarHBondContact O-N 2.86Å; E17-W19 VanDerWaalsContact C-N 3.31Å; E17-W19 PolarHBondContact O-N 2.8Å; E17-N20 PolarHBondContact O-N 2.78Å
18E97.7Very high97.5Very high134 Ų13479.9 Ų79.963%0.62639%0.393SS*.Hα-helixtrans-60.4-38.4178.9-177.1177-177.900112.8K14 T15K14-E18 WeakPolarHBondContact O-CB 3.2Å; K14-E18 PolarHBondContact O-N 3.39Å; T15-E18 PolarHBondContact O-N 2.77Å
19W97.6Very high97.5Very high183 Ų18381.3 Ų81.369%0.69340%0.399SS*.THydrogen-bonded Turntrans-95.98-177.9-68.289.1000113.8T15 A16 E17 I21T15-W19 PolarHBondContact O-N 2.9Å; A16-W19 PolarHBondContact O-N 3.02Å; E17-W19 VanDerWaalsContact C-N 3.31Å; E17-W19 PolarHBondContact O-N 2.8Å; W19-I21 VanDerWaalsContact C-N 3.25Å; W19-I21 HydrophobicContact CB-CG1 4.21Å; W19-I21 PolarHBondContact O-N 3.07Å
20N96.5Very high97.5Very high140 Ų14083 Ų8375%0.74942%0.416SS*.THydrogen-bonded Turntrans49.842.5-177.3-60.9-71.7000113.4A16 E17 P22A16-N20 PolarHBondContact O-N 3.29Å; E17-N20 PolarHBondContact O-N 2.78Å; N20-P22 WeakPolarHBondContact O-CD 3.46Å
21I96.9Very high97.5Very high52 Ų5284.7 Ų84.727%0.26742%0.417SS..  trans-66.1125.7175.9-59.8-176.6000108.1A16 W19 D23 Y27A16-I21 HydrophobicContact CB-CB 4.03Å; A16-I21 HydrophobicContact CB-CD1 4.1Å; A16-I21 HydrophobicContact CB-CG1 4.32Å; A16-I21 PolarHBondContact O-N 3.18Å; W19-I21 VanDerWaalsContact C-N 3.25Å; W19-I21 HydrophobicContact CB-CG1 4.21Å; W19-I21 PolarHBondContact O-N 3.07Å; I21-D23 VanDerWaalsContact C-N 3.27Å; I21-D23 PolarHBondContact O-N 3.24Å; I21-Y27 HydrophobicContact CD1-CD1 4Å; I21-Y27 HydrophobicContact CD1-CD2 3.49Å; I21-Y27 VanDerWaalsContact CD1-CD2 3.49Å; I21-Y27 HydrophobicContact CD1-CE1 4.07Å; I21-Y27 HydrophobicContact CD1-CE2 3.59Å; I21-Y27 HydrophobicContact CD1-CG 3.69Å; I21-Y27 HydrophobicContact CG2-CD2 4.49Å; I21-Y27 HydrophobicContact CG2-CG 4.42Å
22P95.8Very high97.5Very high138 Ų13878.2 Ų78.290%0.89639%0.389SS*.SBendtrans-56.3-37.2-172.5-29.135.1000114.7N20N20-P22 WeakPolarHBondContact O-CD 3.46Å
23D97Very high97.5Very high100 Ų10081.2 Ų81.254%0.53541%0.405SS..  trans-113.482.9175.4-179.811.8000110.1I21 E25 G26 Y27I21-D23 VanDerWaalsContact C-N 3.27Å; I21-D23 PolarHBondContact O-N 3.24Å; D23-E25 VanDerWaalsContact C-N 3.34Å; D23-E25 PolarHBondContact O-N 3.22Å; D23-G26 PolarHBondContact OD1-N 3.47Å; D23-G26 WeakPolarHBondContact OD2-CA 3.14Å; D23-Y27 VanDerWaalsContact O-CB 3.31Å; D23-Y27 WeakPolarHBondContact O-CB 3.48Å; D23-Y27 PolarHBondContact O-N 3.24Å
24A96.4Very high97.6Very high26 Ų2681 Ų8122%0.21541%0.406CS..Hα-helixtrans-66-36.3-177.100000112.9A16 A28A16-A24 HydrophobicContact CB-CB 3.63Å; A24-A28 VanDerWaalsContact O-CB 3.29Å; A24-A28 WeakPolarHBondContact O-CB 3.39Å; A24-A28 PolarHBondContact O-N 2.91Å
25E96.7Very high97.6Very high127 Ų12777.6 Ų77.659%0.59339%0.393SS*.Hα-helixtrans-72.2-45.9178.4-67.4-169.6168.500111.5D23 Y27 A28 N29D23-E25 VanDerWaalsContact C-N 3.34Å; D23-E25 PolarHBondContact O-N 3.22Å; E25-Y27 VanDerWaalsContact C-N 3.31Å; E25-Y27 PolarHBondContact O-N 3.42Å; E25-A28 PolarHBondContact O-N 3.04Å; E25-N29 WeakPolarHBondContact O-CB 3.46Å; E25-N29 PolarHBondContact O-N 3.31Å; E25-N29 PolarHBondContact O-ND2 3.18Å; E25-N29 VanDerWaalsContact O-ND2 3.09Å
26G97.5Very high97.6Very high26 Ų2676.1 Ų76.127%0.26838%0.384SS..Hα-helixtrans-62-39.8175.800000112.2D23 S30D23-G26 PolarHBondContact OD1-N 3.47Å; D23-G26 WeakPolarHBondContact OD2-CA 3.14Å; G26-S30 VanDerWaalsContact O-CB 3.28Å; G26-S30 WeakPolarHBondContact O-CB 3.42Å; G26-S30 PolarHBondContact O-N 3.37Å
27Y98.3Very high97.6Very high70 Ų7078.7 Ų78.728%0.27539%0.394SS..Hα-helixtrans-60.6-52.4171.5177.3-91.5000111.5H12 A16 I21 D23 E25 N29 S30 R31H12-Y27 HydrophobicContact CB-CD1 4.5Å; H12-Y27 HydrophobicContact CB-CE1 4.27Å; A16-Y27 HydrophobicContact CB-CD1 3.7Å; A16-Y27 HydrophobicContact CB-CE1 4.37Å; A16-Y27 HydrophobicContact CB-CG 4.23Å; I21-Y27 HydrophobicContact CD1-CD1 4Å; I21-Y27 HydrophobicContact CD1-CD2 3.49Å; I21-Y27 VanDerWaalsContact CD1-CD2 3.49Å; I21-Y27 HydrophobicContact CD1-CE1 4.07Å; I21-Y27 HydrophobicContact CD1-CE2 3.59Å; I21-Y27 HydrophobicContact CD1-CG 3.69Å; I21-Y27 HydrophobicContact CG2-CD2 4.49Å; I21-Y27 HydrophobicContact CG2-CG 4.42Å; D23-Y27 VanDerWaalsContact O-CB 3.31Å; D23-Y27 WeakPolarHBondContact O-CB 3.48Å; D23-Y27 PolarHBondContact O-N 3.24Å; E25-Y27 VanDerWaalsContact C-N 3.31Å; E25-Y27 PolarHBondContact O-N 3.42Å; Y27-N29 VanDerWaalsContact C-N 3.32Å; Y27-N29 PolarHBondContact O-N 2.73Å; Y27-S30 PolarHBondContact O-N 3.34Å; Y27-R31 HydrophobicContact CD1-CG 4.06Å; Y27-R31 HydrophobicContact CD2-CG 4.06Å; Y27-R31 HydrophobicContact CE1-CG 3.71Å; Y27-R31 HydrophobicContact CE2-CG 3.69Å; Y27-R31 HydrophobicContact CG-CG 4.25Å; Y27-R31 WeakPolarHBondContact O-CB 3.47Å; Y27-R31 WeakPolarHBondContact O-CG 3.44Å; Y27-R31 PolarHBondContact O-N 3.25Å
28A98.2Very high97.7Very high0 Ų076.2 Ų76.20%038%0.384CS..Hα-helixtrans-59.5-43.7-178.200000111.9Y9 H12 R13 A24 E25 T32Y9-A28 HydrophobicContact CD2-CB 3.89Å; Y9-A28 HydrophobicContact CE2-CB 3.55Å; H12-A28 HydrophobicContact CB-CB 4.08Å; R13-A28 HydrophobicContact CB-CB 3.95Å; R13-A28 HydrophobicContact CG-CB 4.44Å; A24-A28 VanDerWaalsContact O-CB 3.29Å; A24-A28 WeakPolarHBondContact O-CB 3.39Å; A24-A28 PolarHBondContact O-N 2.91Å; E25-A28 PolarHBondContact O-N 3.04Å; A28-T32 VanDerWaalsContact O-CB 3.24Å; A28-T32 WeakPolarHBondContact O-CB 3.45Å; A28-T32 PolarHBondContact O-N 3.17Å; A28-T32 PolarHBondContact O-OG1 2.92Å
29N97.5Very high97.7Very high54 Ų5472.5 Ų72.529%0.28938%0.376SS..Hα-helixtrans-60.2-53.5175.1-78.9-41.7000111.6Y9 E25 Y27 R31 T32 I33Y9-N29 VanDerWaalsContact CE2-OD1 3.28Å; Y9-N29 WeakPolarHBondContact CE2-OD1 3.44Å; E25-N29 WeakPolarHBondContact O-CB 3.46Å; E25-N29 PolarHBondContact O-N 3.31Å; E25-N29 PolarHBondContact O-ND2 3.18Å; E25-N29 VanDerWaalsContact O-ND2 3.09Å; Y27-N29 VanDerWaalsContact C-N 3.32Å; Y27-N29 PolarHBondContact O-N 2.73Å; N29-R31 PolarHBondContact O-N 2.94Å; N29-T32 PolarHBondContact O-N 3Å; N29-I33 VanDerWaalsContact O-CG1 3.27Å; N29-I33 WeakPolarHBondContact O-CG1 3.49Å; N29-I33 PolarHBondContact O-N 3.37Å
30S98.1Very high97.7Very high75 Ų7564.8 Ų64.852%0.52435%0.348SS..Hα-helixtrans-58.5-46.8-178.5-178.40000112.1G26 Y27 I33 K34G26-S30 VanDerWaalsContact O-CB 3.28Å; G26-S30 WeakPolarHBondContact O-CB 3.42Å; G26-S30 PolarHBondContact O-N 3.37Å; Y27-S30 PolarHBondContact O-N 3.34Å; S30-I33 PolarHBondContact O-N 2.9Å; S30-K34 PolarHBondContact O-N 3.39Å; S30-K34 VanDerWaalsContact O-N 3.13Å
31R98.3Very high97.7Very high116 Ų11661.3 Ų61.344%0.43833%0.327SS..Hα-helixtrans-66.8-38.5179.2-66.2-50.3-54.9-170.3-0.6112.5H12 Y27 N29 K34 E35H12-R31 HydrophobicContact CB-CB 4.19Å; Y27-R31 HydrophobicContact CD1-CG 4.06Å; Y27-R31 HydrophobicContact CD2-CG 4.06Å; Y27-R31 HydrophobicContact CE1-CG 3.71Å; Y27-R31 HydrophobicContact CE2-CG 3.69Å; Y27-R31 HydrophobicContact CG-CG 4.25Å; Y27-R31 WeakPolarHBondContact O-CB 3.47Å; Y27-R31 WeakPolarHBondContact O-CG 3.44Å; Y27-R31 PolarHBondContact O-N 3.25Å; N29-R31 PolarHBondContact O-N 2.94Å; R31-K34 PolarHBondContact O-N 2.96Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 PolarHBondContact O-N 2.83Å
32T98.5Very high97.6Very high1 Ų161.8 Ų61.81%0.00634%0.335CS..Hα-helixtrans-68.5-40.4178.1-55.50000111.8V5 Y9 A28 N29 K34 E35 C36 W70 L74V5-T32 HydrophobicContact CG1-CG2 3.72Å; Y9-T32 VanDerWaalsContact CA-OG1 3.26Å; Y9-T32 WeakPolarHBondContact CA-OG1 3.39Å; A28-T32 VanDerWaalsContact O-CB 3.24Å; A28-T32 WeakPolarHBondContact O-CB 3.45Å; A28-T32 PolarHBondContact O-N 3.17Å; A28-T32 PolarHBondContact O-OG1 2.92Å; N29-T32 PolarHBondContact O-N 3Å; T32-K34 VanDerWaalsContact C-N 3.32Å; T32-K34 PolarHBondContact O-N 3.43Å; T32-E35 PolarHBondContact O-N 3.27Å; T32-C36 WeakPolarHBondContact O-CB 3.49Å; T32-C36 PolarHBondContact O-N 2.98Å; T32-W70 HydrophobicContact CG2-CH2 3.66Å; T32-W70 HydrophobicContact CG2-CZ3 4.08Å; T32-L74 HydrophobicContact CG2-CD2 4.33Å
33I98.5Very high97.5Very high82 Ų8258 Ų5842%0.42131%0.307SS..Hα-helixtrans-58.8-47.3174.7-70165.5000110.2N29 S30 Y37 W70 L74N29-I33 VanDerWaalsContact O-CG1 3.27Å; N29-I33 WeakPolarHBondContact O-CG1 3.49Å; N29-I33 PolarHBondContact O-N 3.37Å; S30-I33 PolarHBondContact O-N 2.9Å; I33-Y37 PolarHBondContact O-N 3.32Å; I33-W70 HydrophobicContact CG1-CZ2 4.1Å; I33-L74 HydrophobicContact CB-CD1 4.22Å; I33-L74 HydrophobicContact CG1-CD1 3.92Å; I33-L74 HydrophobicContact CG1-CD2 4.13Å; I33-L74 HydrophobicContact CG2-CD1 4.09Å
34K98.4Very high97.3Very high98 Ų9853.6 Ų53.643%0.42628%0.283SS..Hα-helixtrans-64-46.6177.7178.654.5173.6150.50112.2S30 R31 T32 C36 Y37 D38S30-K34 PolarHBondContact O-N 3.39Å; S30-K34 VanDerWaalsContact O-N 3.13Å; R31-K34 PolarHBondContact O-N 2.96Å; T32-K34 VanDerWaalsContact C-N 3.32Å; T32-K34 PolarHBondContact O-N 3.43Å; K34-C36 VanDerWaalsContact C-N 3.35Å; K34-C36 PolarHBondContact O-N 3.38Å; K34-Y37 PolarHBondContact O-N 3.17Å; K34-D38 WeakPolarHBondContact CD-OD2 3.21Å; K34-D38 WeakPolarHBondContact CE-OD1 3.36Å; K34-D38 WeakPolarHBondContact CE-OD2 3.42Å; K34-D38 IonicContact NZ-OD1 3.59Å; K34-D38 PolarHBondContact NZ-OD1 3.02Å; K34-D38 IonicContact NZ-OD2 3.4Å; K34-D38 PolarHBondContact NZ-OD2 2.99Å; K34-D38 WeakPolarHBondContact O-CB 3.5Å; K34-D38 VanDerWaalsContact O-CG 3.25Å; K34-D38 PolarHBondContact O-N 3.34Å
35E98.3Very high97.1Very high68 Ų6856.3 Ų56.332%0.31829%0.288SS..Hα-helixtrans-62.3-41.4179-175.9174.7143.700112S8 H12 R31 T32 D38 A39S8-E35 WeakPolarHBondContact CB-OE1 3.45Å; S8-E35 PolarHBondContact OG-OE1 3.45Å; H12-E35 IonicContact CD2-OE2 2.86Å; H12-E35 IonicContact CE1-OE2 2.66Å; H12-E35 PolarHBondContact CE1-OE2 3.1Å; H12-E35 IonicContact NE2-OE2 3.79Å; H12-E35 PolarHBondContact NE2-OE2 3.42Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 PolarHBondContact O-N 2.83Å; T32-E35 PolarHBondContact O-N 3.27Å; E35-D38 PolarHBondContact O-N 3.49Å; E35-A39 WeakPolarHBondContact O-CB 3.47Å; E35-A39 PolarHBondContact O-N 3.21Å
36C98.4Very high96.8Very high9 Ų955.2 Ų55.26%0.06128%0.283CS..Hα-helixtrans-63-46.7176.2-167.80000111.2T32 K34 D38 A39 F40 L74T32-C36 WeakPolarHBondContact O-CB 3.49Å; T32-C36 PolarHBondContact O-N 2.98Å; K34-C36 VanDerWaalsContact C-N 3.35Å; K34-C36 PolarHBondContact O-N 3.38Å; C36-D38 VanDerWaalsContact C-N 3.32Å; C36-D38 PolarHBondContact O-N 2.95Å; C36-A39 PolarHBondContact O-N 3.18Å; C36-F40 WeakPolarHBondContact O-CD2 3.29Å; C36-F40 PolarHBondContact O-N 3.34Å; C36-F40 VanDerWaalsContact O-N 3.14Å; C36-L74 HydrophobicContact CB-CD1 4.49Å; C36-L74 HydrophobicContact CB-CD2 3.82Å; C36-L74 HydrophobicContact CB-CG 3.9Å
37Y98.5Very high96.4Very high54 Ų5454.6 Ų54.621%0.21227%0.274CS..Hα-helixtrans-57.8-44.9175.9-179.8-90.6000112I33 K34 F40 Q41 R81 N82I33-Y37 PolarHBondContact O-N 3.32Å; K34-Y37 PolarHBondContact O-N 3.17Å; Y37-F40 PolarHBondContact O-N 3.34Å; Y37-Q41 WeakPolarHBondContact O-CB 3.13Å; Y37-Q41 PolarHBondContact O-N 3.31Å; Y37-R81 HydrophobicContact CD2-CB 4.3Å; Y37-R81 HydrophobicContact CE2-CB 3.85Å; Y37-N82 PolarHBondContact O-ND2 2.87Å
38D98.3Very high95.7Very high48 Ų4852.9 Ų52.926%0.25727%0.27SS..Hα-helixtrans-69.4-33.4-179.1-69.8-8.7000112.6K34 E35 C36 Q41 S42K34-D38 WeakPolarHBondContact CD-OD2 3.21Å; K34-D38 WeakPolarHBondContact CE-OD1 3.36Å; K34-D38 WeakPolarHBondContact CE-OD2 3.42Å; K34-D38 IonicContact NZ-OD1 3.59Å; K34-D38 PolarHBondContact NZ-OD1 3.02Å; K34-D38 IonicContact NZ-OD2 3.4Å; K34-D38 PolarHBondContact NZ-OD2 2.99Å; K34-D38 WeakPolarHBondContact O-CB 3.5Å; K34-D38 VanDerWaalsContact O-CG 3.25Å; K34-D38 PolarHBondContact O-N 3.34Å; E35-D38 PolarHBondContact O-N 3.49Å; C36-D38 VanDerWaalsContact C-N 3.32Å; C36-D38 PolarHBondContact O-N 2.95Å; D38-Q41 WeakPolarHBondContact O-CB 3.39Å; D38-Q41 PolarHBondContact O-N 3.36Å; D38-S42 WeakPolarHBondContact O-CB 3.4Å; D38-S42 PolarHBondContact O-N 2.93Å; D38-S42 PolarHBondContact O-OG 3.38Å
39A97.9Very high94.9Very high56 Ų5657.1 Ų57.146%0.46330%0.296SS..Hα-helixtrans-64.3-45.6174.500000111.4E35 C36 S42 L43E35-A39 WeakPolarHBondContact O-CB 3.47Å; E35-A39 PolarHBondContact O-N 3.21Å; C36-A39 PolarHBondContact O-N 3.18Å; A39-S42 PolarHBondContact O-N 2.87Å; A39-L43 WeakPolarHBondContact O-CB 3.36Å; A39-L43 PolarHBondContact O-N 3.11Å
40F97.1Very high94Very high21 Ų2159.3 Ų59.39%0.09231%0.307CS..Hα-helixtrans-73-28.4176.7-77.6-74.9000113.2C36 Y37 L43 E44 I75 I79C36-F40 WeakPolarHBondContact O-CD2 3.29Å; C36-F40 PolarHBondContact O-N 3.34Å; C36-F40 VanDerWaalsContact O-N 3.14Å; Y37-F40 PolarHBondContact O-N 3.34Å; F40-L43 HydrophobicContact CD1-CD2 4.14Å; F40-L43 HydrophobicContact CE1-CD2 4.24Å; F40-E44 WeakPolarHBondContact O-CB 3.45Å; F40-E44 PolarHBondContact O-N 3Å; F40-I75 HydrophobicContact CE1-CG2 4.28Å; F40-I75 HydrophobicContact CE2-CB 4.08Å; F40-I75 HydrophobicContact CE2-CG1 3.83Å; F40-I75 HydrophobicContact CE2-CG2 3.79Å; F40-I75 HydrophobicContact CZ-CB 4.23Å; F40-I75 HydrophobicContact CZ-CG1 4.12Å; F40-I75 HydrophobicContact CZ-CG2 3.46Å; F40-I75 VanDerWaalsContact CZ-CG2 3.46Å; F40-I79 HydrophobicContact CD1-CD1 4.12Å; F40-I79 HydrophobicContact CD1-CG1 3.41Å; F40-I79 VanDerWaalsContact CD1-CG1 3.41Å; F40-I79 HydrophobicContact CD2-CG1 4.49Å; F40-I79 HydrophobicContact CE1-CD1 3.77Å; F40-I79 HydrophobicContact CE1-CG1 3.6Å; F40-I79 HydrophobicContact CG-CG1 3.91Å; F40-I79 HydrophobicContact CZ-CD1 4.29Å; F40-I79 HydrophobicContact CZ-CG1 4.26Å
41Q96.2Very high92.9Very high67 Ų6761.8 Ų61.831%0.31331%0.31SS..Hα-helixtrans-60.8-52.9168-173.817280.700110Y37 D38 L43 E44 Y45 N82Y37-Q41 WeakPolarHBondContact O-CB 3.13Å; Y37-Q41 PolarHBondContact O-N 3.31Å; D38-Q41 WeakPolarHBondContact O-CB 3.39Å; D38-Q41 PolarHBondContact O-N 3.36Å; Q41-L43 VanDerWaalsContact C-N 3.28Å; Q41-L43 PolarHBondContact O-N 3.33Å; Q41-E44 PolarHBondContact O-N 3.17Å; Q41-E44 VanDerWaalsContact O-N 3.15Å; Q41-Y45 HydrophobicContact CG-CD2 3.96Å; Q41-Y45 HydrophobicContact CG-CE2 3.87Å; Q41-Y45 VanDerWaalsContact O-CD2 3.27Å; Q41-Y45 WeakPolarHBondContact O-CD2 3.34Å; Q41-Y45 PolarHBondContact O-N 2.69Å; Q41-N82 VanDerWaalsContact CA-OD1 3.27Å; Q41-N82 WeakPolarHBondContact CA-OD1 3.46Å; Q41-N82 WeakPolarHBondContact CB-OD1 3.46Å; Q41-N82 PolarHBondContact N-ND2 3.35Å
42S95.5Very high91.8Very high62 Ų6259.2 Ų59.243%0.43431%0.307SS..Hα-helixtrans-56.7-46.2-179.8-56.80000110.6D38 A39 E44 Y45 E46D38-S42 WeakPolarHBondContact O-CB 3.4Å; D38-S42 PolarHBondContact O-N 2.93Å; D38-S42 PolarHBondContact O-OG 3.38Å; A39-S42 PolarHBondContact O-N 2.87Å; S42-E44 PolarHBondContact O-N 3.09Å; S42-Y45 PolarHBondContact O-N 2.73Å; S42-E46 WeakPolarHBondContact O-CB 3.44Å; S42-E46 WeakPolarHBondContact O-CG 3.43Å; S42-E46 PolarHBondContact O-N 3.26Å
43L94.4Very high90.5Very high58 Ų5864.6 Ų64.630%0.30435%0.352SS..Hα-helixtrans-60.8-43.3177.5-175.760.5000113A39 F40 Q41 Y45 E46 V47 F62A39-L43 WeakPolarHBondContact O-CB 3.36Å; A39-L43 PolarHBondContact O-N 3.11Å; F40-L43 HydrophobicContact CD1-CD2 4.14Å; F40-L43 HydrophobicContact CE1-CD2 4.24Å; Q41-L43 VanDerWaalsContact C-N 3.28Å; Q41-L43 PolarHBondContact O-N 3.33Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 3.35Å; L43-E46 PolarHBondContact O-N 3.16Å; L43-V47 HydrophobicContact CD1-CG2 4.37Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 3.41Å; L43-F62 HydrophobicContact CD1-CZ 4.25Å; L43-F62 HydrophobicContact CD2-CE2 3.54Å; L43-F62 HydrophobicContact CD2-CZ 3.47Å; L43-F62 VanDerWaalsContact CD2-CZ 3.47Å; L43-F62 HydrophobicContact CG-CE2 3.97Å; L43-F62 HydrophobicContact CG-CZ 3.76Å
44E93Very high89.1Confident8 Ų864.8 Ų64.84%0.03735%0.354CS..Hα-helixtrans-64.2-39.1177-176.4159.5101.200111.6F40 Q41 S42 N48 R83F40-E44 WeakPolarHBondContact O-CB 3.45Å; F40-E44 PolarHBondContact O-N 3Å; Q41-E44 PolarHBondContact O-N 3.17Å; Q41-E44 VanDerWaalsContact O-N 3.15Å; S42-E44 PolarHBondContact O-N 3.09Å; E44-N48 PolarHBondContact O-N 2.93Å; E44-N48 PolarHBondContact O-ND2 3Å; E44-R83 IonicContact OE1-NE 2.71Å; E44-R83 IonicContact OE2-CZ 3.37Å; E44-R83 IonicContact OE2-NE 3.49Å; E44-R83 PolarHBondContact OE2-NE 2.94Å; E44-R83 IonicContact OE2-NH2 2.96Å; E44-R83 PolarHBondContact OE2-NH2 2.7Å
45Y91.8Very high87.7Confident83 Ų8362.5 Ų62.533%0.32536%0.358SS..Hα-helixtrans-70.1-44.3175.9-85.3-105.1000112.6Q41 S42 L43 V47 N48 T49 L87 G88Q41-Y45 HydrophobicContact CG-CD2 3.96Å; Q41-Y45 HydrophobicContact CG-CE2 3.87Å; Q41-Y45 VanDerWaalsContact O-CD2 3.27Å; Q41-Y45 WeakPolarHBondContact O-CD2 3.34Å; Q41-Y45 PolarHBondContact O-N 2.69Å; S42-Y45 PolarHBondContact O-N 2.73Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 3.35Å; Y45-V47 PolarHBondContact O-N 2.81Å; Y45-N48 CarbonylContact O-C 3.56Å; Y45-N48 PolarHBondContact O-N 2.77Å; Y45-N48 VanDerWaalsContact O-N 3.08Å; Y45-T49 WeakPolarHBondContact O-CB 3.45Å; Y45-T49 WeakPolarHBondContact O-CG2 3.43Å; Y45-T49 PolarHBondContact O-N 3.48Å; Y45-T49 PolarHBondContact O-OG1 3.45Å; Y45-L87 HydrophobicContact CD1-CD1 3.82Å; Y45-L87 HydrophobicContact CD2-CD1 3.71Å; Y45-L87 HydrophobicContact CE1-CD1 3.87Å; Y45-L87 HydrophobicContact CE2-CD1 3.79Å; Y45-L87 HydrophobicContact CG-CD1 3.76Å; Y45-G88 WeakPolarHBondContact OH-CA 3.37Å; Y45-G88 PolarHBondContact OH-N 3.2Å
46E90.4Very high86.3Confident103 Ų10364 Ų6448%0.48137%0.365SS..Hα-helixtrans-59.9-46.5177.9-78.2-177.6-179.100110.9S42 L43 N48 T49 L50S42-E46 WeakPolarHBondContact O-CB 3.44Å; S42-E46 WeakPolarHBondContact O-CG 3.43Å; S42-E46 PolarHBondContact O-N 3.26Å; L43-E46 PolarHBondContact O-N 3.16Å; E46-N48 PolarHBondContact O-N 3.14Å; E46-N48 VanDerWaalsContact O-N 3.14Å; E46-T49 WeakPolarHBondContact CA-OG1 3.21Å; E46-T49 PolarHBondContact O-N 3.36Å; E46-T49 VanDerWaalsContact O-N 3.07Å; E46-T49 PolarHBondContact O-OG1 3.01Å; E46-L50 HydrophobicContact CB-CD1 4.01Å; E46-L50 HydrophobicContact CB-CG 4.43Å; E46-L50 VanDerWaalsContact O-CB 3.24Å; E46-L50 WeakPolarHBondContact O-CB 3.15Å; E46-L50 WeakPolarHBondContact O-CG 3.31Å; E46-L50 PolarHBondContact O-N 3.04Å
47V88.6Confident85.2Confident13 Ų1365.6 Ų65.68%0.07938%0.375CS..Hα-helixtrans-55.2-35.9175.4165.10000111.7L43 Y45 T57 P58 V60 F62 F96L43-V47 HydrophobicContact CD1-CG2 4.37Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 3.41Å; Y45-V47 PolarHBondContact O-N 2.81Å; V47-T57 WeakPolarHBondContact O-CG2 3.37Å; V47-P58 HydrophobicContact CG1-CG 4.46Å; V47-P58 WeakPolarHBondContact O-CD 3.48Å; V47-P58 WeakPolarHBondContact O-CG 3.28Å; V47-V60 HydrophobicContact CB-CG1 4.29Å; V47-V60 HydrophobicContact CG1-CG1 3.36Å; V47-V60 HydrophobicContact CG2-CG1 3.88Å; V47-F62 HydrophobicContact CG2-CZ 4.49Å; V47-F96 HydrophobicContact CG1-CB 3.79Å
48N84.8Confident84.3Confident35 Ų3564.6 Ų64.619%0.18738%0.375CS..Hα-helixtrans-91.3-4.6-178.6-74-86000114.9E44 Y45 E46 L87 F96E44-N48 PolarHBondContact O-N 2.93Å; E44-N48 PolarHBondContact O-ND2 3Å; Y45-N48 CarbonylContact O-C 3.56Å; Y45-N48 PolarHBondContact O-N 2.77Å; Y45-N48 VanDerWaalsContact O-N 3.08Å; E46-N48 PolarHBondContact O-N 3.14Å; E46-N48 VanDerWaalsContact O-N 3.14Å; N48-L87 HydrophobicContact CB-CD2 3.62Å; N48-F96 PolarHBondContact ND2-O 3.1Å; N48-F96 PolarHBondContact OD1-O 3.1Å
49T81.3Confident83.8Confident89 Ų8967.7 Ų67.755%0.54639%0.386SS..Hα-helixtrans-120-21.3-177.752.50000112.9Y45 E46 H51Y45-T49 WeakPolarHBondContact O-CB 3.45Å; Y45-T49 WeakPolarHBondContact O-CG2 3.43Å; Y45-T49 PolarHBondContact O-N 3.48Å; Y45-T49 PolarHBondContact O-OG1 3.45Å; E46-T49 WeakPolarHBondContact CA-OG1 3.21Å; E46-T49 PolarHBondContact O-N 3.36Å; E46-T49 VanDerWaalsContact O-N 3.07Å; E46-T49 PolarHBondContact O-OG1 3.01Å; T49-H51 PolarHBondContact O-CE1 3.43Å; T49-H51 PolarHBondContact O-ND1 3.06Å; T49-H51 VanDerWaalsContact O-ND1 3.16Å
50L78.3Confident83.5Confident99 Ų9966.9 Ų66.952%0.51838%0.375SS..  trans-75.3141.1169.5-65.9172.3000110.1E46 P58E46-L50 HydrophobicContact CB-CD1 4.01Å; E46-L50 HydrophobicContact CB-CG 4.43Å; E46-L50 VanDerWaalsContact O-CB 3.24Å; E46-L50 WeakPolarHBondContact O-CB 3.15Å; E46-L50 WeakPolarHBondContact O-CG 3.31Å; E46-L50 PolarHBondContact O-N 3.04Å; L50-P58 WeakPolarHBondContact O-CD 3.33Å
51H74.7Confident83.4Confident128 Ų12867.5 Ų67.559%0.59338%0.381SS*.  trans-112.1138.8175.6-61.877.3000108.6T49 G55 Q56T49-H51 PolarHBondContact O-CE1 3.43Å; T49-H51 PolarHBondContact O-ND1 3.06Å; T49-H51 VanDerWaalsContact O-ND1 3.16Å; H51-G55 PolarHBondContact CD2-O 3.29Å; H51-Q56 WeakPolarHBondContact CA-O 3.36Å
52T74.9Confident83.4Confident61 Ų6166.4 Ų66.437%0.37438%0.375SS..  trans-76.8173.9168.684.60000110.2N54 G55 Q56 P58T52-N54 PolarHBondContact O-N 2.84Å; T52-N54 VanDerWaalsContact OG1-CG 3.32Å; T52-N54 PolarHBondContact OG1-N 3.47Å; T52-N54 PolarHBondContact OG1-OD1 3.41Å; T52-G55 PolarHBondContact O-N 3.43Å; T52-Q56 PolarHBondContact N-O 3.2Å; T52-P58 HydrophobicContact CG2-CB 3.81Å
53A71.1Confident83.5Confident115 Ų11565.3 Ų65.395%0.9537%0.374SS*.THydrogen-bonded Turntrans-57.5-18.7178.700000114.1
54N69.5Low83.7Confident85 Ų8563.8 Ų63.846%0.45537%0.365SS..THydrogen-bonded Turntrans-89.24.817679.6-7.6000114.1T52 Q56T52-N54 PolarHBondContact O-N 2.84Å; T52-N54 VanDerWaalsContact OG1-CG 3.32Å; T52-N54 PolarHBondContact OG1-N 3.47Å; T52-N54 PolarHBondContact OG1-OD1 3.41Å; N54-Q56 VanDerWaalsContact C-N 3.33Å; N54-Q56 PolarHBondContact ND2-OE1 2.87Å; N54-Q56 PolarHBondContact O-N 3.5Å; N54-Q56 VanDerWaalsContact OD1-CB 3.26Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.37Å; N54-Q56 PolarHBondContact OD1-N 3.36Å
55G68.4Low83.9Confident51 Ų5163.5 Ų63.553%0.52636%0.364SS..SBendtrans77.811.7179.800000115H51 T52H51-G55 PolarHBondContact CD2-O 3.29Å; T52-G55 PolarHBondContact O-N 3.43Å
56Q69.4Low84.2Confident100 Ų10062.4 Ų62.447%0.46736%0.363SS..SBendtrans-109.6155.9177.1-57.6-177.4-43.900111.9H51 T52 N54H51-Q56 WeakPolarHBondContact CA-O 3.36Å; T52-Q56 PolarHBondContact N-O 3.2Å; N54-Q56 VanDerWaalsContact C-N 3.33Å; N54-Q56 PolarHBondContact ND2-OE1 2.87Å; N54-Q56 PolarHBondContact O-N 3.5Å; N54-Q56 VanDerWaalsContact OD1-CB 3.26Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.37Å; N54-Q56 PolarHBondContact OD1-N 3.36Å
57T75.5Confident84.5Confident42 Ų4258.7 Ų58.726%0.25835%0.352SS..  trans-56.2135.1166.6-52.10000110.3V47 F59 F96V47-T57 WeakPolarHBondContact O-CG2 3.37Å; T57-F59 VanDerWaalsContact O-CD1 3.28Å; T57-F59 WeakPolarHBondContact O-CD1 3.38Å; T57-F59 PolarHBondContact O-N 2.88Å; T57-F96 HydrophobicContact CG2-CD2 4.27Å
58P79.8Confident84.9Confident32 Ų3262.3 Ų62.321%0.20838%0.375CS..  trans-60.3132.6179.422.9-33.7000112.3V47 L50 T52 V60V47-P58 HydrophobicContact CG1-CG 4.46Å; V47-P58 WeakPolarHBondContact O-CD 3.48Å; V47-P58 WeakPolarHBondContact O-CG 3.28Å; L50-P58 WeakPolarHBondContact O-CD 3.33Å; T52-P58 HydrophobicContact CG2-CB 3.81Å; P58-V60 PolarHBondContact O-N 2.83Å; P58-V60 VanDerWaalsContact O-N 3.16Å
59F87Confident85.5Confident113 Ų11362.7 Ų62.750%0.49638%0.38SS..  trans-82.694.3175.5-64.40.2000109.1T57 F96T57-F59 VanDerWaalsContact O-CD1 3.28Å; T57-F59 WeakPolarHBondContact O-CD1 3.38Å; T57-F59 PolarHBondContact O-N 2.88Å; F59-F96 HydrophobicContact CB-CE1 4.17Å; F59-F96 HydrophobicContact CB-CZ 4.04Å; F59-F96 HydrophobicContact CD1-CD2 4.16Å; F59-F96 HydrophobicContact CD1-CE1 4.28Å; F59-F96 AromaticContact CD1-CE2 3.3Å; F59-F96 HydrophobicContact CD1-CE2 3.3Å; F59-F96 AromaticContact CD1-CZ 3.37Å; F59-F96 HydrophobicContact CD1-CZ 3.37Å; F59-F96 AromaticContact CE1-CE2 3.66Å; F59-F96 HydrophobicContact CE1-CE2 3.66Å; F59-F96 AromaticContact CE1-CZ 3.94Å; F59-F96 HydrophobicContact CE1-CZ 3.94Å; F59-F96 HydrophobicContact CG-CE1 4.35Å; F59-F96 HydrophobicContact CG-CE2 4.13Å; F59-F96 AromaticContact CG-CZ 3.72Å; F59-F96 HydrophobicContact CG-CZ 3.72Å
60V91.5Very high86.3Confident40 Ų4063.3 Ų63.324%0.24237%0.373CS..  trans-123.2144.1-173.9610000111.7V47 P58 F62 F96 P97 K98V47-V60 HydrophobicContact CB-CG1 4.29Å; V47-V60 HydrophobicContact CG1-CG1 3.36Å; V47-V60 HydrophobicContact CG2-CG1 3.88Å; P58-V60 PolarHBondContact O-N 2.83Å; P58-V60 VanDerWaalsContact O-N 3.16Å; V60-F62 HydrophobicContact CG2-CD1 4.07Å; V60-F62 HydrophobicContact CG2-CE1 3.61Å; V60-F96 HydrophobicContact CG1-CB 4.48Å; V60-P97 HydrophobicContact CG1-CB 3.86Å; V60-P97 CarbonylContact O-C 3.52Å; V60-P97 WeakPolarHBondContact O-CA 3.49Å; V60-K98 PolarHBondContact O-N 3.17Å
61T95.3Very high87.2Confident33 Ų3360.5 Ų60.520%0.20236%0.357CS..EExtended strand (participates in β ladder)trans-126131.1-180-60.10000109.7K98 V100 G152T61-K98 CarbonylContact C-O 3.38Å; T61-K98 WeakPolarHBondContact CA-O 3.25Å; T61-K98 HydrophobicContact CG2-CB 4.12Å; T61-K98 HydrophobicContact CG2-CD 4.33Å; T61-K98 HydrophobicContact CG2-CG 4.09Å; T61-V100 HydrophobicContact CG2-CB 4.39Å; T61-V100 HydrophobicContact CG2-CG2 3.49Å; T61-V100 VanDerWaalsContact CG2-CG2 3.49Å; T61-G152 PolarHBondContact OG1-O 3.33Å
62F96.4Very high88.3Confident45 Ų4555.7 Ų55.720%0.19734%0.338CS..EExtended strand (participates in β ladder)trans-105.7121.4173.6-66-11.2000110.1L43 V47 V60 P97 K98 L99 V100L43-F62 HydrophobicContact CD1-CZ 4.25Å; L43-F62 HydrophobicContact CD2-CE2 3.54Å; L43-F62 HydrophobicContact CD2-CZ 3.47Å; L43-F62 VanDerWaalsContact CD2-CZ 3.47Å; L43-F62 HydrophobicContact CG-CE2 3.97Å; L43-F62 HydrophobicContact CG-CZ 3.76Å; V47-F62 HydrophobicContact CG2-CZ 4.49Å; V60-F62 HydrophobicContact CG2-CD1 4.07Å; V60-F62 HydrophobicContact CG2-CE1 3.61Å; F62-P97 HydrophobicContact CD1-CB 4.18Å; F62-P97 HydrophobicContact CD2-CB 3.81Å; F62-P97 HydrophobicContact CD2-CG 3.67Å; F62-P97 HydrophobicContact CE1-CB 4.16Å; F62-P97 HydrophobicContact CE2-CB 3.82Å; F62-P97 HydrophobicContact CE2-CG 3.52Å; F62-P97 HydrophobicContact CG-CB 3.99Å; F62-P97 HydrophobicContact CG-CG 4.35Å; F62-P97 HydrophobicContact CZ-CB 3.97Å; F62-P97 HydrophobicContact CZ-CG 4.07Å; F62-K98 PolarHBondContact N-O 3.15Å; F62-L99 HydrophobicContact CB-CD2 4.19Å; F62-L99 HydrophobicContact CD2-CD2 4.27Å; F62-V100 PolarHBondContact O-N 2.77Å
63G96.8Very high89.4Confident39 Ų3955 Ų5540%0.40233%0.328SS..EExtended strand (participates in β ladder)trans-102.7131.8171.500000111.9V100G63-V100 VanDerWaalsContact CA-O 3.31Å; G63-V100 WeakPolarHBondContact CA-O 3.42Å
64F98.2Very high90.7Very high26 Ų2650 Ų5011%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-154174.2179.757.9-86.1000110.6Q76 I79 L80 L99 V100 F101 A102F64-Q76 HydrophobicContact CB-CG 4.32Å; F64-Q76 HydrophobicContact CD2-CB 4.26Å; F64-Q76 HydrophobicContact CD2-CG 3.88Å; F64-I79 HydrophobicContact CD1-CD1 4.09Å; F64-I79 HydrophobicContact CD1-CG2 4.44Å; F64-I79 HydrophobicContact CE1-CD1 4.46Å; F64-I79 HydrophobicContact CE1-CG2 3.76Å; F64-I79 HydrophobicContact CG-CD1 4.31Å; F64-I79 HydrophobicContact CZ-CG2 3.89Å; F64-L80 HydrophobicContact CE2-CD1 4.36Å; F64-L80 HydrophobicContact CE2-CD2 4.09Å; F64-L80 HydrophobicContact CE2-CG 4.1Å; F64-L80 HydrophobicContact CZ-CD2 3.92Å; F64-L80 HydrophobicContact CZ-CG 4.29Å; F64-L99 HydrophobicContact CE1-CB 3.95Å; F64-L99 HydrophobicContact CE1-CD2 4.27Å; F64-L99 HydrophobicContact CZ-CB 4.29Å; F64-V100 PolarHBondContact N-O 2.63Å; F64-F101 AromaticContact CD2-CD2 3.69Å; F64-F101 HydrophobicContact CD2-CD2 3.69Å; F64-F101 HydrophobicContact CD2-CE2 4.34Å; F64-F101 HydrophobicContact CE2-CB 4.3Å; F64-F101 AromaticContact CE2-CD2 3.57Å; F64-F101 HydrophobicContact CE2-CD2 3.57Å; F64-F101 HydrophobicContact CE2-CE2 4.36Å; F64-F101 HydrophobicContact CE2-CG 4.35Å; F64-F101 HydrophobicContact CZ-CB 4.49Å; F64-F101 CarbonylContact O-C 3.56Å; F64-F101 WeakPolarHBondContact O-CA 3.42Å; F64-A102 WeakPolarHBondContact O-CB 3.39Å; F64-A102 PolarHBondContact O-N 3.43Å
65G97.8Very high92.1Very high2 Ų246.9 Ų46.92%0.02127%0.269CS..  trans134-26.2173.900000115.1Q76 N108G65-Q76 PolarHBondContact O-OE1 2.89Å; G65-N108 PolarHBondContact O-ND2 3.34Å; G65-N108 VanDerWaalsContact O-ND2 3.11Å
66L97.7Very high93.6Very high59 Ų5944.7 Ų44.731%0.30925%0.245SC..  trans-88.4-13.8-170.8-61.2-174.2000115.3A102 R104 L107 Y137 F147L66-A102 HydrophobicContact CD2-CB 3.76Å; L66-A102 HydrophobicContact CG-CB 3.87Å; L66-R104 HydrophobicContact CD2-CB 4.08Å; L66-L107 HydrophobicContact CB-CD2 4.48Å; L66-L107 HydrophobicContact CD2-CD2 4.1Å; L66-L107 WeakPolarHBondContact O-CD2 3.41Å; L66-Y137 HydrophobicContact CD1-CD2 3.93Å; L66-Y137 HydrophobicContact CD1-CE2 3.79Å; L66-Y137 HydrophobicContact CD2-CD2 3.85Å; L66-Y137 HydrophobicContact CD2-CE2 4.34Å; L66-F147 HydrophobicContact CD1-CD1 3.55Å; L66-F147 HydrophobicContact CD1-CE1 3.46Å; L66-F147 VanDerWaalsContact CD1-CE1 3.46Å; L66-F147 HydrophobicContact CD1-CG 4.27Å; L66-F147 HydrophobicContact CD1-CZ 4.11Å; L66-F147 HydrophobicContact CG-CE1 4.27Å
67G96.9Very high94.9Very high25 Ų2541.9 Ų41.926%0.25823%0.232SC..  trans-81.8134-174.800000113.2Q76 N115G67-Q76 PolarHBondContact O-NE2 3.42Å; G67-N115 PolarHBondContact O-ND2 2.96Å
68T97.1Very high96Very high90 Ų9040.1 Ų40.155%0.55222%0.221SC*.  trans-105.6-18.3-178.749.70000114.3L107T68-L107 HydrophobicContact CG2-CD1 3.27Å
69S97.8Very high96.9Very high43 Ų4339.1 Ų39.130%0.30121%0.214SC..SBendtrans-61.6154.7179.187.60000110.9E71 S72 R73S69-E71 WeakPolarHBondContact CB-OE2 3.23Å; S69-E71 PolarHBondContact O-N 3.47Å; S69-E71 PolarHBondContact OG-OE2 3.3Å; S69-S72 WeakPolarHBondContact O-CB 3.31Å; S69-S72 PolarHBondContact O-N 3.46Å; S69-S72 PolarHBondContact OG-N 3.19Å; S69-S72 VanDerWaalsContact OG-N 3.12Å; S69-S72 PolarHBondContact OG-OG 2.83Å; S69-R73 WeakPolarHBondContact O-CG 2.95Å; S69-R73 PolarHBondContact O-N 2.98Å
70W97.6Very high97.5Very high102 Ų10233.8 Ų33.839%0.38619%0.19SC..Hα-helixtrans-54.3-42.1177.1171.882.2000111.6V5 Y9 T32 I33 S72 R73 L74V5-W70 HydrophobicContact CG1-CZ3 3.91Å; Y9-W70 HydrophobicContact CD2-CH2 4.45Å; T32-W70 HydrophobicContact CG2-CH2 3.66Å; T32-W70 HydrophobicContact CG2-CZ3 4.08Å; I33-W70 HydrophobicContact CG1-CZ2 4.1Å; W70-S72 PolarHBondContact O-N 3.08Å; W70-R73 PolarHBondContact O-N 3.1Å; W70-L74 HydrophobicContact CH2-CD2 3.76Å; W70-L74 HydrophobicContact CZ2-CD2 3.84Å; W70-L74 HydrophobicContact CZ3-CD2 4.29Å; W70-L74 VanDerWaalsContact O-CB 3.31Å; W70-L74 WeakPolarHBondContact O-CB 3.41Å; W70-L74 PolarHBondContact O-N 2.93Å
71E98.1Very high97.8Very high40 Ų4037.8 Ų37.819%0.18720%0.201CC..Hα-helixtrans-62.1-43.6176.2-56.587.2168.200112A2 V5 T6 S69 L74 I75A2-E71 HydrophobicContact CB-CB 3.81Å; V5-E71 HydrophobicContact CB-CB 3.79Å; V5-E71 HydrophobicContact CB-CG 3.8Å; V5-E71 HydrophobicContact CG1-CB 3.87Å; V5-E71 HydrophobicContact CG1-CG 3.75Å; V5-E71 HydrophobicContact CG2-CB 4.34Å; T6-E71 PolarHBondContact OG1-OE1 3.31Å; S69-E71 WeakPolarHBondContact CB-OE2 3.23Å; S69-E71 PolarHBondContact O-N 3.47Å; S69-E71 PolarHBondContact OG-OE2 3.3Å; E71-L74 PolarHBondContact O-N 3.21Å; E71-I75 WeakPolarHBondContact O-CD1 3.23Å; E71-I75 VanDerWaalsContact O-CG1 3.26Å; E71-I75 WeakPolarHBondContact O-CG1 3.36Å; E71-I75 PolarHBondContact O-N 3.2Å
72S98Very high97.9Very high27 Ų2736.5 Ų36.519%0.18919%0.193CC..Hα-helixtrans-67.1-39.8-179.3-590000111.3S69 W70 Q76S69-S72 WeakPolarHBondContact O-CB 3.31Å; S69-S72 PolarHBondContact O-N 3.46Å; S69-S72 PolarHBondContact OG-N 3.19Å; S69-S72 VanDerWaalsContact OG-N 3.12Å; S69-S72 PolarHBondContact OG-OG 2.83Å; W70-S72 PolarHBondContact O-N 3.08Å; S72-Q76 VanDerWaalsContact O-CG 3.22Å; S72-Q76 WeakPolarHBondContact O-CG 3.41Å; S72-Q76 PolarHBondContact O-N 2.86Å; S72-Q76 VanDerWaalsContact O-N 3.13Å; S72-Q76 PolarHBondContact O-NE2 2.9Å
73R98.4Very high98Very high47 Ų4734.3 Ų34.318%0.17718%0.183CC..Hα-helixtrans-64.7-45.8173.6-71.4178.947.48313.8111S69 W70 I75 Q76 E77 P114 N115 D117 I118S69-R73 WeakPolarHBondContact O-CG 2.95Å; S69-R73 PolarHBondContact O-N 2.98Å; W70-R73 PolarHBondContact O-N 3.1Å; R73-I75 VanDerWaalsContact C-N 3.3Å; R73-I75 PolarHBondContact O-N 2.92Å; R73-Q76 WeakPolarHBondContact O-CB 3.44Å; R73-Q76 PolarHBondContact O-N 3.19Å; R73-Q76 VanDerWaalsContact O-N 3.1Å; R73-E77 IonicContact NH2-OE1 3.6Å; R73-E77 PolarHBondContact NH2-OE1 2.74Å; R73-E77 WeakPolarHBondContact O-CG 3.37Å; R73-E77 PolarHBondContact O-N 2.71Å; R73-P114 PolarHBondContact NH1-O 3.46Å; R73-N115 WeakPolarHBondContact CD-OD1 3.29Å; R73-N115 WeakPolarHBondContact CG-OD1 3.4Å; R73-N115 PolarHBondContact NH1-OD1 3.43Å; R73-D117 IonicContact CZ-OD1 3.11Å; R73-D117 IonicContact CZ-OD2 3.65Å; R73-D117 IonicContact NH1-OD1 3.35Å; R73-D117 PolarHBondContact NH1-OD1 2.84Å; R73-D117 IonicContact NH1-OD2 2.88Å; R73-D117 IonicContact NH2-OD1 2.75Å; R73-D117 PolarHBondContact NH2-OD1 2.63Å; R73-D117 IonicContact NH2-OD2 3.48Å; R73-D117 PolarHBondContact NH2-OD2 3.12Å; R73-I118 HydrophobicContact CB-CD1 3.89Å; R73-I118 HydrophobicContact CG-CD1 3.78Å
74L98.3Very high98Very high10 Ų1033.9 Ų33.95%0.05217%0.171CC..Hα-helixtrans-59.6-39.6177.4179.158.8000112.3V5 T32 I33 C36 W70 E71 S78V5-L74 HydrophobicContact CG1-CD2 4.04Å; T32-L74 HydrophobicContact CG2-CD2 4.33Å; I33-L74 HydrophobicContact CB-CD1 4.22Å; I33-L74 HydrophobicContact CG1-CD1 3.92Å; I33-L74 HydrophobicContact CG1-CD2 4.13Å; I33-L74 HydrophobicContact CG2-CD1 4.09Å; C36-L74 HydrophobicContact CB-CD1 4.49Å; C36-L74 HydrophobicContact CB-CD2 3.82Å; C36-L74 HydrophobicContact CB-CG 3.9Å; W70-L74 HydrophobicContact CH2-CD2 3.76Å; W70-L74 HydrophobicContact CZ2-CD2 3.84Å; W70-L74 HydrophobicContact CZ3-CD2 4.29Å; W70-L74 VanDerWaalsContact O-CB 3.31Å; W70-L74 WeakPolarHBondContact O-CB 3.41Å; W70-L74 PolarHBondContact O-N 2.93Å; E71-L74 PolarHBondContact O-N 3.21Å; L74-S78 VanDerWaalsContact O-CB 3.23Å; L74-S78 WeakPolarHBondContact O-CB 3.39Å; L74-S78 PolarHBondContact O-N 2.83Å; L74-S78 PolarHBondContact O-OG 2.9Å
75I98.6Very high97.8Very high19 Ų1934.1 Ų34.110%0.09718%0.178CC..Hα-helixtrans-60.9-49.5173.1-74.1158.3000110.9M1 A2 V5 F40 E71 R73 E77 S78 I79M1-I75 HydrophobicContact CB-CD1 3.69Å; A2-I75 HydrophobicContact CB-CD1 4.42Å; V5-I75 HydrophobicContact CG2-CD1 3.86Å; V5-I75 HydrophobicContact CG2-CG1 3.94Å; F40-I75 HydrophobicContact CE1-CG2 4.28Å; F40-I75 HydrophobicContact CE2-CB 4.08Å; F40-I75 HydrophobicContact CE2-CG1 3.83Å; F40-I75 HydrophobicContact CE2-CG2 3.79Å; F40-I75 HydrophobicContact CZ-CB 4.23Å; F40-I75 HydrophobicContact CZ-CG1 4.12Å; F40-I75 HydrophobicContact CZ-CG2 3.46Å; F40-I75 VanDerWaalsContact CZ-CG2 3.46Å; E71-I75 WeakPolarHBondContact O-CD1 3.23Å; E71-I75 VanDerWaalsContact O-CG1 3.26Å; E71-I75 WeakPolarHBondContact O-CG1 3.36Å; E71-I75 PolarHBondContact O-N 3.2Å; R73-I75 VanDerWaalsContact C-N 3.3Å; R73-I75 PolarHBondContact O-N 2.92Å; I75-E77 PolarHBondContact O-N 3.13Å; I75-S78 PolarHBondContact O-N 3.24Å; I75-I79 HydrophobicContact CG2-CD1 3.86Å; I75-I79 WeakPolarHBondContact O-CG1 3.37Å; I75-I79 PolarHBondContact O-N 2.93Å
76Q98.6Very high97.6Very high4 Ų434.4 Ų34.42%0.01918%0.181CC..Hα-helixtrans-60.4-47.3-179.5-69.1170.477.400111.3F64 G65 G67 S72 R73 S78 I79 L80 I118F64-Q76 HydrophobicContact CB-CG 4.32Å; F64-Q76 HydrophobicContact CD2-CB 4.26Å; F64-Q76 HydrophobicContact CD2-CG 3.88Å; G65-Q76 PolarHBondContact O-OE1 2.89Å; G67-Q76 PolarHBondContact O-NE2 3.42Å; S72-Q76 VanDerWaalsContact O-CG 3.22Å; S72-Q76 WeakPolarHBondContact O-CG 3.41Å; S72-Q76 PolarHBondContact O-N 2.86Å; S72-Q76 VanDerWaalsContact O-N 3.13Å; S72-Q76 PolarHBondContact O-NE2 2.9Å; R73-Q76 WeakPolarHBondContact O-CB 3.44Å; R73-Q76 PolarHBondContact O-N 3.19Å; R73-Q76 VanDerWaalsContact O-N 3.1Å; Q76-S78 VanDerWaalsContact C-N 3.33Å; Q76-S78 PolarHBondContact O-N 2.78Å; Q76-I79 PolarHBondContact O-N 3.1Å; Q76-L80 WeakPolarHBondContact O-CG 3.47Å; Q76-L80 PolarHBondContact O-N 2.94Å; Q76-L80 VanDerWaalsContact O-N 3.09Å; Q76-I118 HydrophobicContact CB-CD1 4.19Å; Q76-I118 HydrophobicContact CB-CG2 4.03Å
77E98.6Very high97.3Very high42 Ų4232.1 Ų32.120%0.19617%0.169CC..Hα-helixtrans-61.4-41.6175.7-70-179.3-145.300111.7R73 I75 I79 L80 R81 I118 L121R73-E77 IonicContact NH2-OE1 3.6Å; R73-E77 PolarHBondContact NH2-OE1 2.74Å; R73-E77 WeakPolarHBondContact O-CG 3.37Å; R73-E77 PolarHBondContact O-N 2.71Å; I75-E77 PolarHBondContact O-N 3.13Å; E77-I79 PolarHBondContact O-N 2.88Å; E77-L80 PolarHBondContact O-N 2.9Å; E77-R81 VanDerWaalsContact O-CB 3.23Å; E77-R81 WeakPolarHBondContact O-CB 3.47Å; E77-R81 WeakPolarHBondContact O-CG 3.28Å; E77-R81 PolarHBondContact O-N 3.2Å; E77-R81 IonicContact OE2-NE 3.95Å; E77-R81 IonicContact OE2-NH2 2.68Å; E77-I118 HydrophobicContact CG-CG1 4.32Å; E77-L121 HydrophobicContact CB-CD2 4.24Å; E77-L121 HydrophobicContact CG-CD2 4.13Å
78S98.4Very high96.9Very high4 Ų432.3 Ų32.33%0.02817%0.171CC..Hα-helixtrans-64-41.5179.7-64.20000112.2L74 I75 Q76 N82L74-S78 VanDerWaalsContact O-CB 3.23Å; L74-S78 WeakPolarHBondContact O-CB 3.39Å; L74-S78 PolarHBondContact O-N 2.83Å; L74-S78 PolarHBondContact O-OG 2.9Å; I75-S78 PolarHBondContact O-N 3.24Å; Q76-S78 VanDerWaalsContact C-N 3.33Å; Q76-S78 PolarHBondContact O-N 2.78Å; S78-N82 WeakPolarHBondContact O-CB 3.37Å; S78-N82 PolarHBondContact O-N 2.87Å; S78-N82 VanDerWaalsContact O-N 3.07Å; S78-N82 PolarHBondContact O-ND2 2.7Å
79I98.5Very high96.4Very high12 Ų1237.7 Ų37.76%0.06219%0.186CC..Hα-helixtrans-61.3-52.3175-68.5164.9000110.2F40 F64 I75 Q76 E77 N82 R83 L99F40-I79 HydrophobicContact CD1-CD1 4.12Å; F40-I79 HydrophobicContact CD1-CG1 3.41Å; F40-I79 VanDerWaalsContact CD1-CG1 3.41Å; F40-I79 HydrophobicContact CD2-CG1 4.49Å; F40-I79 HydrophobicContact CE1-CD1 3.77Å; F40-I79 HydrophobicContact CE1-CG1 3.6Å; F40-I79 HydrophobicContact CG-CG1 3.91Å; F40-I79 HydrophobicContact CZ-CD1 4.29Å; F40-I79 HydrophobicContact CZ-CG1 4.26Å; F64-I79 HydrophobicContact CD1-CD1 4.09Å; F64-I79 HydrophobicContact CD1-CG2 4.44Å; F64-I79 HydrophobicContact CE1-CD1 4.46Å; F64-I79 HydrophobicContact CE1-CG2 3.76Å; F64-I79 HydrophobicContact CG-CD1 4.31Å; F64-I79 HydrophobicContact CZ-CG2 3.89Å; I75-I79 HydrophobicContact CG2-CD1 3.86Å; I75-I79 WeakPolarHBondContact O-CG1 3.37Å; I75-I79 PolarHBondContact O-N 2.93Å; Q76-I79 PolarHBondContact O-N 3.1Å; E77-I79 PolarHBondContact O-N 2.88Å; I79-N82 PolarHBondContact O-N 2.67Å; I79-R83 PolarHBondContact O-N 3.16Å; I79-L99 HydrophobicContact CG2-CD1 3.91Å; I79-L99 HydrophobicContact CG2-CD2 3.74Å; I79-L99 HydrophobicContact CG2-CG 4.43Å
80L98.6Very high95.8Very high0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-65.6-44.1-176.1-67.3170.2000112F64 Q76 E77 N82 R83 I84 I118 L121 A122 C125 P132F64-L80 HydrophobicContact CE2-CD1 4.36Å; F64-L80 HydrophobicContact CE2-CD2 4.09Å; F64-L80 HydrophobicContact CE2-CG 4.1Å; F64-L80 HydrophobicContact CZ-CD2 3.92Å; F64-L80 HydrophobicContact CZ-CG 4.29Å; Q76-L80 WeakPolarHBondContact O-CG 3.47Å; Q76-L80 PolarHBondContact O-N 2.94Å; Q76-L80 VanDerWaalsContact O-N 3.09Å; E77-L80 PolarHBondContact O-N 2.9Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-N82 PolarHBondContact O-N 3.34Å; L80-R83 PolarHBondContact O-N 3.02Å; L80-I84 VanDerWaalsContact O-CG1 3.28Å; L80-I84 WeakPolarHBondContact O-CG1 2.98Å; L80-I84 PolarHBondContact O-N 3.41Å; L80-I118 HydrophobicContact CD1-CG2 3.96Å; L80-L121 HydrophobicContact CB-CD2 3.78Å; L80-L121 HydrophobicContact CB-CG 3.81Å; L80-L121 HydrophobicContact CD1-CB 4.15Å; L80-L121 HydrophobicContact CD1-CD2 3.91Å; L80-L121 HydrophobicContact CD1-CG 3.89Å; L80-L121 HydrophobicContact CG-CG 4.5Å; L80-A122 HydrophobicContact CD1-CB 4.1Å; L80-A122 HydrophobicContact CD2-CB 4.21Å; L80-C125 HydrophobicContact CD2-CB 3.92Å; L80-P132 HydrophobicContact CD2-CG 4.09Å
81R98.5Very high95.3Very high125 Ų12542.6 Ų42.647%0.47220%0.204SC..Hα-helixtrans-65.7-36178.8-70177-171.9-75.31.6112.2Y37 E77 A85 L121Y37-R81 HydrophobicContact CD2-CB 4.3Å; Y37-R81 HydrophobicContact CE2-CB 3.85Å; E77-R81 VanDerWaalsContact O-CB 3.23Å; E77-R81 WeakPolarHBondContact O-CB 3.47Å; E77-R81 WeakPolarHBondContact O-CG 3.28Å; E77-R81 PolarHBondContact O-N 3.2Å; E77-R81 IonicContact OE2-NE 3.95Å; E77-R81 IonicContact OE2-NH2 2.68Å; R81-A85 WeakPolarHBondContact O-CB 3.5Å; R81-A85 PolarHBondContact O-N 2.75Å; R81-L121 HydrophobicContact CG-CD1 4.43Å; R81-L121 HydrophobicContact CG-CD2 4.15Å
82N97.9Very high94.8Very high5 Ų545.6 Ų45.63%0.02722%0.217CC..Hα-helixtrans-64.3-48.8173.3-89.2-67.5000111.2Y37 Q41 S78 I79 L80 I84 A85 G86Y37-N82 PolarHBondContact O-ND2 2.87Å; Q41-N82 VanDerWaalsContact CA-OD1 3.27Å; Q41-N82 WeakPolarHBondContact CA-OD1 3.46Å; Q41-N82 WeakPolarHBondContact CB-OD1 3.46Å; Q41-N82 PolarHBondContact N-ND2 3.35Å; S78-N82 WeakPolarHBondContact O-CB 3.37Å; S78-N82 PolarHBondContact O-N 2.87Å; S78-N82 VanDerWaalsContact O-N 3.07Å; S78-N82 PolarHBondContact O-ND2 2.7Å; I79-N82 PolarHBondContact O-N 2.67Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-N82 PolarHBondContact O-N 3.34Å; N82-I84 VanDerWaalsContact C-N 3.33Å; N82-I84 PolarHBondContact O-N 2.84Å; N82-A85 WeakPolarHBondContact O-CB 3.45Å; N82-A85 PolarHBondContact O-N 3.44Å; N82-G86 PolarHBondContact O-N 2.67Å
83R97.1Very high94.4Very high0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-58.5-45177.5-177.651.754119.113.7111.9E44 I79 L80 A85 G86 A94 F96 P97 L99 C125 R129E44-R83 IonicContact OE1-NE 2.71Å; E44-R83 IonicContact OE2-CZ 3.37Å; E44-R83 IonicContact OE2-NE 3.49Å; E44-R83 PolarHBondContact OE2-NE 2.94Å; E44-R83 IonicContact OE2-NH2 2.96Å; E44-R83 PolarHBondContact OE2-NH2 2.7Å; I79-R83 PolarHBondContact O-N 3.16Å; L80-R83 PolarHBondContact O-N 3.02Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-A85 PolarHBondContact O-N 3.17Å; R83-G86 PolarHBondContact O-N 2.85Å; R83-A94 PolarHBondContact NH1-O 2.77Å; R83-F96 PolarHBondContact NH2-O 2.61Å; R83-P97 VanDerWaalsContact NH2-CD 3.33Å; R83-P97 PolarHBondContact NH2-O 3.2Å; R83-L99 HydrophobicContact CB-CD1 3.85Å; R83-L99 HydrophobicContact CG-CD1 3.85Å; R83-C125 WeakPolarHBondContact CG-SG 3.41Å; R83-R129 HydrophobicContact CG-CB 3.8Å; R83-R129 HydrophobicContact CG-CG 4.04Å; R83-R129 WeakPolarHBondContact O-CD 3.41Å; R83-R129 VanDerWaalsContact O-CG 3.29Å; R83-R129 WeakPolarHBondContact O-CG 3.32Å; R83-R129 PolarHBondContact O-NE 2.95Å; R83-R129 VanDerWaalsContact O-NE 3.13Å
84I96.2Very high94Very high30 Ų3042.5 Ų42.515%0.15420%0.202CC..Hα-helixtrans-57.5-46.4174.8-71163.7000110.8L80 N82 G86 L121 E124 C125 K128 R129L80-I84 VanDerWaalsContact O-CG1 3.28Å; L80-I84 WeakPolarHBondContact O-CG1 2.98Å; L80-I84 PolarHBondContact O-N 3.41Å; N82-I84 VanDerWaalsContact C-N 3.33Å; N82-I84 PolarHBondContact O-N 2.84Å; I84-G86 PolarHBondContact O-N 3.07Å; I84-L121 HydrophobicContact CD1-CD1 3.56Å; I84-L121 HydrophobicContact CD1-CG 4.37Å; I84-E124 HydrophobicContact CD1-CB 4.49Å; I84-E124 HydrophobicContact CD1-CG 4.27Å; I84-C125 HydrophobicContact CD1-CB 3.98Å; I84-C125 HydrophobicContact CG1-CB 3.79Å; I84-K128 HydrophobicContact CG2-CD 4.13Å; I84-R129 PolarHBondContact O-NE 2.92Å; I84-R129 PolarHBondContact O-NH2 2.98Å
85A95.7Very high93.4Very high30 Ų3044.1 Ų44.125%0.24821%0.213CC..Hα-helixtrans-59.3-32.2179.300000112.7R81 N82 R83 R91R81-A85 WeakPolarHBondContact O-CB 3.5Å; R81-A85 PolarHBondContact O-N 2.75Å; N82-A85 WeakPolarHBondContact O-CB 3.45Å; N82-A85 PolarHBondContact O-N 3.44Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-A85 PolarHBondContact O-N 3.17Å; A85-R91 WeakPolarHBondContact O-CB 3.23Å; A85-R91 WeakPolarHBondContact O-CD 3.46Å; A85-R91 WeakPolarHBondContact O-CG 3.4Å
86G93.3Very high92.9Very high8 Ų843.8 Ų43.88%0.08221%0.21CC..  trans83.8168.2176.100000113.7N82 R83 I84N82-G86 PolarHBondContact O-N 2.67Å; R83-G86 PolarHBondContact O-N 2.85Å; I84-G86 PolarHBondContact O-N 3.07Å
87L90.7Very high92.6Very high12 Ų1243.7 Ų43.76%0.06321%0.21CC..BIsolated β-bridgetrans-97.1132.9-170.4-173.970.1000112.5Y45 N48 R91 K92 A94Y45-L87 HydrophobicContact CD1-CD1 3.82Å; Y45-L87 HydrophobicContact CD2-CD1 3.71Å; Y45-L87 HydrophobicContact CE1-CD1 3.87Å; Y45-L87 HydrophobicContact CE2-CD1 3.79Å; Y45-L87 HydrophobicContact CG-CD1 3.76Å; N48-L87 HydrophobicContact CB-CD2 3.62Å; L87-R91 CarbonylContact O-C 3.59Å; L87-R91 WeakPolarHBondContact O-CA 3.42Å; L87-R91 PolarHBondContact O-N 3.36Å; L87-K92 HydrophobicContact CB-CG 4.11Å; L87-K92 PolarHBondContact N-O 3.3Å; L87-K92 WeakPolarHBondContact O-CG 3.37Å; L87-K92 PolarHBondContact O-N 2.95Å; L87-A94 HydrophobicContact CB-CB 4.17Å; L87-A94 HydrophobicContact CD2-CB 4.06Å
88G89.2Confident92.5Very high28 Ų2841.7 Ų41.729%0.28920%0.201SC..THydrogen-bonded Turntrans69.9-172.9174.600000114.7Y45 N90 R91Y45-G88 WeakPolarHBondContact OH-CA 3.37Å; Y45-G88 PolarHBondContact OH-N 3.2Å; G88-N90 VanDerWaalsContact C-N 3.25Å; G88-N90 PolarHBondContact O-N 3.22Å; G88-R91 PolarHBondContact O-N 3.43Å
89K87Confident92.4Very high203 Ų20341.5 Ų41.588%0.88320%0.199SC*.THydrogen-bonded Turntrans-56.1-39.1-177.3-176.2-179.5177-176.80113R91K89-R91 VanDerWaalsContact C-N 3.3Å
90N84.4Confident92.4Very high83 Ų8341 Ų4144%0.44420%0.197SC..THydrogen-bonded Turntrans-87.52.4-178.3-62.8-10.4000113G88 K92 Y414G88-N90 VanDerWaalsContact C-N 3.25Å; G88-N90 PolarHBondContact O-N 3.22Å; N90-K92 PolarHBondContact O-N 3.31Å; N90-Y414 HydrophobicContact CB-CD1 4.15Å; N90-Y414 HydrophobicContact CB-CD2 4.48Å; N90-Y414 HydrophobicContact CB-CE1 3.74Å; N90-Y414 HydrophobicContact CB-CE2 4.11Å; N90-Y414 HydrophobicContact CB-CG 4.5Å; N90-Y414 WeakPolarHBondContact ND2-CE2 3.43Å
91R87.8Confident92.4Very high165 Ų16541 Ų4162%0.62320%0.197SC*.THydrogen-bonded Turntrans53.139.9178.8-61-174.4177.7-167-0.6113.4A85 L87 G88 K89 R129A85-R91 WeakPolarHBondContact O-CB 3.23Å; A85-R91 WeakPolarHBondContact O-CD 3.46Å; A85-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 CarbonylContact O-C 3.59Å; L87-R91 WeakPolarHBondContact O-CA 3.42Å; L87-R91 PolarHBondContact O-N 3.36Å; G88-R91 PolarHBondContact O-N 3.43Å; K89-R91 VanDerWaalsContact C-N 3.3Å; R91-R129 PolarHBondContact O-NH1 3.19Å; R91-R129 PolarHBondContact O-NH2 3.3Å
92K87Confident92.4Very high103 Ų10335.1 Ų35.145%0.44818%0.175SC..BIsolated β-bridgetrans-65.9155.9-177.571.7-176.8179.51760111.6L87 N90 A94L87-K92 HydrophobicContact CB-CG 4.11Å; L87-K92 PolarHBondContact N-O 3.3Å; L87-K92 WeakPolarHBondContact O-CG 3.37Å; L87-K92 PolarHBondContact O-N 2.95Å; N90-K92 PolarHBondContact O-N 3.31Å; K92-A94 PolarHBondContact O-N 2.96Å
93T89.3Confident92.5Very high7 Ų734.9 Ų34.94%0.04317%0.174CC..PPolyproline II helixtrans-69.4120.9171.1-61.60000109.8R129 I410 T445 L452T93-R129 HydrophobicContact CG2-CB 4.2Å; T93-R129 WeakPolarHBondContact CG2-O 3.35Å; T93-R129 VanDerWaalsContact OG1-CD 3.28Å; T93-R129 WeakPolarHBondContact OG1-CD 3.06Å; T93-R129 PolarHBondContact OG1-NH1 2.73Å; T93-I410 WeakPolarHBondContact OG1-CG2 3.31Å; T93-T445 HydrophobicContact CG2-CG2 4.21Å; T93-L452 HydrophobicContact CG2-CD1 4.21Å
94A89.5Confident92.5Very high2 Ų240 Ų402%0.01719%0.193CC..PPolyproline II helixtrans-75.1142.8177.400000111.2R83 L87 K92 F96R83-A94 PolarHBondContact NH1-O 2.77Å; L87-A94 HydrophobicContact CB-CB 4.17Å; L87-A94 HydrophobicContact CD2-CB 4.06Å; K92-A94 PolarHBondContact O-N 2.96Å; A94-F96 WeakPolarHBondContact CB-O 3.31Å
95V85.7Confident92.6Very high45 Ų4541.9 Ų41.927%0.27320%0.204SC..  trans-79-41.9175.31770000110.5Y131 L452V95-Y131 WeakPolarHBondContact O-CE2 3.43Å; V95-L452 HydrophobicContact CB-CB 4.5Å; V95-L452 HydrophobicContact CG1-CB 4.25Å; V95-L452 WeakPolarHBondContact CG1-O 3.45Å; V95-L452 HydrophobicContact CG2-CB 4.24Å; V95-L452 WeakPolarHBondContact CG2-O 3.31Å
96F88.7Confident92.7Very high12 Ų1242.8 Ų42.85%0.05322%0.216CC..  trans-122.7160.4175.9-66.5-66000110.9V47 N48 T57 F59 V60 R83 A94 Y451V47-F96 HydrophobicContact CG1-CB 3.79Å; N48-F96 PolarHBondContact ND2-O 3.1Å; N48-F96 PolarHBondContact OD1-O 3.1Å; T57-F96 HydrophobicContact CG2-CD2 4.27Å; F59-F96 HydrophobicContact CB-CE1 4.17Å; F59-F96 HydrophobicContact CB-CZ 4.04Å; F59-F96 HydrophobicContact CD1-CD2 4.16Å; F59-F96 HydrophobicContact CD1-CE1 4.28Å; F59-F96 AromaticContact CD1-CE2 3.3Å; F59-F96 HydrophobicContact CD1-CE2 3.3Å; F59-F96 AromaticContact CD1-CZ 3.37Å; F59-F96 HydrophobicContact CD1-CZ 3.37Å; F59-F96 AromaticContact CE1-CE2 3.66Å; F59-F96 HydrophobicContact CE1-CE2 3.66Å; F59-F96 AromaticContact CE1-CZ 3.94Å; F59-F96 HydrophobicContact CE1-CZ 3.94Å; F59-F96 HydrophobicContact CG-CE1 4.35Å; F59-F96 HydrophobicContact CG-CE2 4.13Å; F59-F96 AromaticContact CG-CZ 3.72Å; F59-F96 HydrophobicContact CG-CZ 3.72Å; V60-F96 HydrophobicContact CG1-CB 4.48Å; R83-F96 PolarHBondContact NH2-O 2.61Å; A94-F96 WeakPolarHBondContact CB-O 3.31Å; F96-Y451 AromaticContact CE1-CD1 3.81Å; F96-Y451 HydrophobicContact CE1-CD1 3.81Å; F96-Y451 AromaticContact CE1-CE1 3.84Å; F96-Y451 HydrophobicContact CE1-CE1 3.84Å; F96-Y451 AromaticContact CZ-CD1 3.7Å; F96-Y451 HydrophobicContact CZ-CD1 3.7Å; F96-Y451 AromaticContact CZ-CE1 3.87Å; F96-Y451 HydrophobicContact CZ-CE1 3.87Å; F96-Y451 HydrophobicContact CZ-CG 4.44Å
97P93.5Very high92.9Very high1 Ų143.1 Ų43.11%0.00622%0.216CC..SBendcis-60.8148.6-14.228.5-36.5000111.3V60 F62 R83 L99V60-P97 HydrophobicContact CG1-CB 3.86Å; V60-P97 CarbonylContact O-C 3.52Å; V60-P97 WeakPolarHBondContact O-CA 3.49Å; F62-P97 HydrophobicContact CD1-CB 4.18Å; F62-P97 HydrophobicContact CD2-CB 3.81Å; F62-P97 HydrophobicContact CD2-CG 3.67Å; F62-P97 HydrophobicContact CE1-CB 4.16Å; F62-P97 HydrophobicContact CE2-CB 3.82Å; F62-P97 HydrophobicContact CE2-CG 3.52Å; F62-P97 HydrophobicContact CG-CB 3.99Å; F62-P97 HydrophobicContact CG-CG 4.35Å; F62-P97 HydrophobicContact CZ-CB 3.97Å; F62-P97 HydrophobicContact CZ-CG 4.07Å; R83-P97 VanDerWaalsContact NH2-CD 3.33Å; R83-P97 PolarHBondContact NH2-O 3.2Å; P97-L99 HydrophobicContact CG-CD2 4.09Å
98K95Very high93.3Very high1 Ų142.6 Ų42.60%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-66.9134.5164.4176.6169.9-167.6-178.60108V60 T61 F62 V100 Y131 D133 C153 Y403V60-K98 PolarHBondContact O-N 3.17Å; T61-K98 CarbonylContact C-O 3.38Å; T61-K98 WeakPolarHBondContact CA-O 3.25Å; T61-K98 HydrophobicContact CG2-CB 4.12Å; T61-K98 HydrophobicContact CG2-CD 4.33Å; T61-K98 HydrophobicContact CG2-CG 4.09Å; F62-K98 PolarHBondContact N-O 3.15Å; K98-V100 HydrophobicContact CD-CG2 4.47Å; K98-V100 HydrophobicContact CG-CG2 4.17Å; K98-Y131 HydrophobicContact CB-CE1 4.48Å; K98-Y131 HydrophobicContact CB-CE2 4.24Å; K98-Y131 HydrophobicContact CD-CE1 4.12Å; K98-Y131 HydrophobicContact CG-CD1 4.2Å; K98-Y131 HydrophobicContact CG-CE1 3.63Å; K98-Y131 HydrophobicContact CG-CE2 4.25Å; K98-D133 WeakPolarHBondContact CE-OD2 3.09Å; K98-D133 IonicContact NZ-OD2 2.61Å; K98-D133 PolarHBondContact NZ-OD2 2.82Å; K98-C153 PolarHBondContact NZ-O 3.1Å; K98-C153 VanDerWaalsContact NZ-O 3.14Å; K98-Y403 WeakPolarHBondContact CE-OH 3.5Å; K98-Y403 PolarHBondContact NZ-OH 3.37Å
99L97.8Very high93.7Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-104.9133.2176.6-50.4-178.5000109.6F62 F64 I79 R83 P97 P132 D133F62-L99 HydrophobicContact CB-CD2 4.19Å; F62-L99 HydrophobicContact CD2-CD2 4.27Å; F64-L99 HydrophobicContact CE1-CB 3.95Å; F64-L99 HydrophobicContact CE1-CD2 4.27Å; F64-L99 HydrophobicContact CZ-CB 4.29Å; I79-L99 HydrophobicContact CG2-CD1 3.91Å; I79-L99 HydrophobicContact CG2-CD2 3.74Å; I79-L99 HydrophobicContact CG2-CG 4.43Å; R83-L99 HydrophobicContact CB-CD1 3.85Å; R83-L99 HydrophobicContact CG-CD1 3.85Å; P97-L99 HydrophobicContact CG-CD2 4.09Å; L99-P132 HydrophobicContact CB-CB 3.81Å; L99-P132 VanDerWaalsContact O-CA 3.32Å; L99-P132 WeakPolarHBondContact O-CA 3.48Å; L99-D133 PolarHBondContact O-N 3.03Å
100V98Very high94.2Very high0 Ų036.5 Ų36.50%018%0.179CC..EExtended strand (participates in β ladder)trans-130110.7179.3-175.30000109.1T61 F62 G63 F64 K98 D133 L135 P150 Y403T61-V100 HydrophobicContact CG2-CB 4.39Å; T61-V100 HydrophobicContact CG2-CG2 3.49Å; T61-V100 VanDerWaalsContact CG2-CG2 3.49Å; F62-V100 PolarHBondContact O-N 2.77Å; G63-V100 VanDerWaalsContact CA-O 3.31Å; G63-V100 WeakPolarHBondContact CA-O 3.42Å; F64-V100 PolarHBondContact N-O 2.63Å; K98-V100 HydrophobicContact CD-CG2 4.47Å; K98-V100 HydrophobicContact CG-CG2 4.17Å; V100-D133 CarbonylContact C-O 3.6Å; V100-D133 VanDerWaalsContact CA-O 3.3Å; V100-D133 WeakPolarHBondContact CA-O 3.5Å; V100-L135 HydrophobicContact CG1-CB 4.37Å; V100-L135 HydrophobicContact CG1-CD1 3.35Å; V100-L135 HydrophobicContact CG1-CD2 4.22Å; V100-L135 HydrophobicContact CG1-CG 3.33Å; V100-P150 HydrophobicContact CG2-CG 4.48Å; V100-Y403 HydrophobicContact CG1-CE2 3.95Å; V100-Y403 HydrophobicContact CG2-CE2 4.36Å; V100-Y403 VanDerWaalsContact CG2-OH 3.27Å; V100-Y403 WeakPolarHBondContact CG2-OH 3.33Å
101F98.6Very high94.8Very high0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans-99.9120.1-175.1-179.3-116000110.9F64 I103 N108 I118 K119 A122 P132 D133 I134 L135 W394F64-F101 AromaticContact CD2-CD2 3.69Å; F64-F101 HydrophobicContact CD2-CD2 3.69Å; F64-F101 HydrophobicContact CD2-CE2 4.34Å; F64-F101 HydrophobicContact CE2-CB 4.3Å; F64-F101 AromaticContact CE2-CD2 3.57Å; F64-F101 HydrophobicContact CE2-CD2 3.57Å; F64-F101 HydrophobicContact CE2-CE2 4.36Å; F64-F101 HydrophobicContact CE2-CG 4.35Å; F64-F101 HydrophobicContact CZ-CB 4.49Å; F64-F101 CarbonylContact O-C 3.56Å; F64-F101 WeakPolarHBondContact O-CA 3.42Å; F101-I103 HydrophobicContact CD1-CG1 3.94Å; F101-I103 HydrophobicContact CE1-CG1 3.98Å; F101-I103 PolarHBondContact O-N 3.01Å; F101-N108 HydrophobicContact CZ-CB 4.31Å; F101-I118 HydrophobicContact CE2-CG2 3.87Å; F101-I118 HydrophobicContact CZ-CG2 4.1Å; F101-K119 HydrophobicContact CE1-CB 4.23Å; F101-A122 HydrophobicContact CD1-CB 3.93Å; F101-A122 HydrophobicContact CE1-CB 4.07Å; F101-A122 HydrophobicContact CG-CB 4.25Å; F101-A122 HydrophobicContact CZ-CB 4.5Å; F101-P132 HydrophobicContact CB-CB 3.76Å; F101-P132 HydrophobicContact CB-CG 3.86Å; F101-D133 PolarHBondContact N-O 2.88Å; F101-I134 HydrophobicContact CD1-CG2 4.42Å; F101-I134 CarbonylContact O-C 3.59Å; F101-I134 WeakPolarHBondContact O-CA 3.46Å; F101-L135 PolarHBondContact O-N 3.21Å; F101-W394 HydrophobicContact CD1-CZ3 4.46Å
102A98.7Very high95.2Very high3 Ų336.9 Ų36.93%0.02520%0.202CC..EExtended strand (participates in β ladder)trans-79119.7177.600000110.1F64 L66 N108 L135 F147F64-A102 WeakPolarHBondContact O-CB 3.39Å; F64-A102 PolarHBondContact O-N 3.43Å; L66-A102 HydrophobicContact CD2-CB 3.76Å; L66-A102 HydrophobicContact CG-CB 3.87Å; A102-N108 PolarHBondContact O-ND2 3.27Å; A102-L135 CarbonylContact C-O 3.58Å; A102-L135 WeakPolarHBondContact CA-O 3.16Å; A102-F147 HydrophobicContact CB-CE1 4.31Å; A102-F147 HydrophobicContact CB-CE2 4.15Å; A102-F147 HydrophobicContact CB-CZ 3.5Å
103I98.6Very high95.7Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-94.7135.3169.6-59.3-177.4000108.4F101 N108 H109 I134 L135 Y137 W394 Y398F101-I103 HydrophobicContact CD1-CG1 3.94Å; F101-I103 HydrophobicContact CE1-CG1 3.98Å; F101-I103 PolarHBondContact O-N 3.01Å; I103-N108 WeakPolarHBondContact CA-OD1 3.42Å; I103-H109 HydrophobicContact CG2-CB 3.83Å; I103-I134 HydrophobicContact CD1-CB 4.02Å; I103-I134 HydrophobicContact CD1-CD1 3.82Å; I103-I134 HydrophobicContact CD1-CG2 3.9Å; I103-I134 HydrophobicContact CG1-CB 4.32Å; I103-I134 HydrophobicContact CG1-CG2 4.32Å; I103-L135 PolarHBondContact N-O 3.31Å; I103-Y137 WeakPolarHBondContact O-CB 3.28Å; I103-Y137 PolarHBondContact O-N 2.95Å; I103-W394 HydrophobicContact CD1-CE3 3.84Å; I103-W394 HydrophobicContact CD1-CZ3 4.42Å; I103-Y398 HydrophobicContact CB-CD2 4.03Å; I103-Y398 HydrophobicContact CB-CE2 4.17Å; I103-Y398 HydrophobicContact CG2-CD2 3.54Å; I103-Y398 HydrophobicContact CG2-CE2 3.7Å; I103-Y398 WeakPolarHBondContact O-CE2 3.01Å
104R98.4Very high96.1Very high107 Ų10737 Ų3740%0.40421%0.211SC..  trans-141.4131.5174.4-175.6178.7-178.5-178.21.4110.4L66 L107 N108 Y137L66-R104 HydrophobicContact CD2-CB 4.08Å; R104-L107 HydrophobicContact CB-CB 4.18Å; R104-L107 HydrophobicContact CB-CD2 4.39Å; R104-L107 PolarHBondContact O-N 3.29Å; R104-L107 VanDerWaalsContact O-N 3.11Å; R104-N108 PolarHBondContact N-OD1 3.31Å; R104-N108 PolarHBondContact O-N 3.29Å; R104-N108 PolarHBondContact O-OD1 2.86Å; R104-Y137 HydrophobicContact CB-CG 4.19Å; R104-Y137 HydrophobicContact CG-CD1 4.14Å; R104-Y137 HydrophobicContact CG-CD2 4.42Å; R104-Y137 HydrophobicContact CG-CG 3.95Å
105D97.7Very high96.5Very high70 Ų7037 Ų3737%0.37421%0.211SC..THydrogen-bonded Turntrans-60135.3176.2-152.846000110.9L107 H109 K110 Y398D105-L107 VanDerWaalsContact C-N 3.26Å; D105-L107 PolarHBondContact O-N 3.38Å; D105-H109 IonicContact OD1-CE1 3.68Å; D105-H109 IonicContact OD1-CG 2.7Å; D105-H109 IonicContact OD1-ND1 3.63Å; D105-H109 PolarHBondContact OD1-ND1 3.46Å; D105-K110 VanDerWaalsContact CG-NZ 3.34Å; D105-K110 WeakPolarHBondContact OD1-CE 3.25Å; D105-K110 IonicContact OD1-NZ 3.06Å; D105-K110 PolarHBondContact OD1-NZ 3.16Å; D105-K110 IonicContact OD2-NZ 3.26Å; D105-K110 PolarHBondContact OD2-NZ 3.34Å; D105-K110 VanDerWaalsContact OD2-NZ 3.11Å; D105-Y398 HydrophobicContact CB-CE1 4.2Å; D105-Y398 PolarHBondContact N-OH 3.16Å
106G97.4Very high97.1Very high49 Ų4936.9 Ų36.951%0.50521%0.206SC..THydrogen-bonded Turntrans78.92.2-175.400000114.8D113G106-D113 VanDerWaalsContact CA-OD1 3.31Å; G106-D113 WeakPolarHBondContact CA-OD1 3.35Å; G106-D113 PolarHBondContact N-OD2 3.28Å
107L98.4Very high97.6Very high15 Ų1540 Ų408%0.07922%0.223CC..THydrogen-bonded Turntrans-121.5-54.3178.6175.359.6000112.9L66 T68 R104 D105 D113 N115L66-L107 HydrophobicContact CB-CD2 4.48Å; L66-L107 HydrophobicContact CD2-CD2 4.1Å; L66-L107 WeakPolarHBondContact O-CD2 3.41Å; T68-L107 HydrophobicContact CG2-CD1 3.27Å; R104-L107 HydrophobicContact CB-CB 4.18Å; R104-L107 HydrophobicContact CB-CD2 4.39Å; R104-L107 PolarHBondContact O-N 3.29Å; R104-L107 VanDerWaalsContact O-N 3.11Å; D105-L107 VanDerWaalsContact C-N 3.26Å; D105-L107 PolarHBondContact O-N 3.38Å; L107-D113 VanDerWaalsContact C-CB 3.44Å; L107-D113 PolarHBondContact N-OD2 3.07Å; L107-D113 WeakPolarHBondContact O-CB 3.35Å; L107-N115 HydrophobicContact CD1-CB 4.42Å; L107-N115 WeakPolarHBondContact O-CA 3.4Å; L107-N115 WeakPolarHBondContact O-CB 3.2Å; L107-N115 PolarHBondContact O-N 3.5Å
108N98.4Very high97.8Very high0 Ų040 Ų400%022%0.223CC..THydrogen-bonded Turntrans-145.16.6-176.358.124000113.1G65 F101 A102 I103 R104 N115 K119G65-N108 PolarHBondContact O-ND2 3.34Å; G65-N108 VanDerWaalsContact O-ND2 3.11Å; F101-N108 HydrophobicContact CZ-CB 4.31Å; A102-N108 PolarHBondContact O-ND2 3.27Å; I103-N108 WeakPolarHBondContact CA-OD1 3.42Å; R104-N108 PolarHBondContact N-OD1 3.31Å; R104-N108 PolarHBondContact O-N 3.29Å; R104-N108 PolarHBondContact O-OD1 2.86Å; N108-N115 HydrophobicContact CB-CB 3.78Å; N108-N115 WeakPolarHBondContact CB-O 3.49Å; N108-K119 WeakPolarHBondContact O-CB 3.38Å; N108-K119 WeakPolarHBondContact O-CD 3.47Å
109H98.1Very high98Very high5 Ų539.9 Ų39.92%0.02322%0.223CC..SBendtrans-82.4-45-171.1-178.2-156.8000111.9I103 D105 D113 K119 D395 Y398I103-H109 HydrophobicContact CG2-CB 3.83Å; D105-H109 IonicContact OD1-CE1 3.68Å; D105-H109 IonicContact OD1-CG 2.7Å; D105-H109 IonicContact OD1-ND1 3.63Å; D105-H109 PolarHBondContact OD1-ND1 3.46Å; H109-D113 PolarHBondContact N-OD2 3.14Å; H109-K119 WeakPolarHBondContact O-CD 3.1Å; H109-K119 PolarHBondContact O-NZ 2.88Å; H109-D395 IonicContact CD2-OD1 3.43Å; H109-D395 PolarHBondContact CD2-OD1 3.37Å; H109-D395 IonicContact NE2-OD1 2.9Å; H109-D395 PolarHBondContact NE2-OD1 3.49Å; H109-Y398 AromaticContact CE1-CD1 3.46Å; H109-Y398 VanDerWaalsContact CE1-CD1 3.46Å; H109-Y398 WeakPolarHBondContact CE1-CD1 3.3Å; H109-Y398 AromaticContact CE1-CE1 3.98Å; H109-Y398 AromaticContact CE1-CG 3.67Å; H109-Y398 AromaticContact ND1-CD1 3.94Å; H109-Y398 AromaticContact NE2-CG 3.75Å
110K97Very high98Very high99 Ų9943 Ų4343%0.4324%0.237SC..SBendtrans-121.3157.1-169.3-67.3168.7-176.4149.10112.1D105 G112 D113 Y116D105-K110 VanDerWaalsContact CG-NZ 3.34Å; D105-K110 WeakPolarHBondContact OD1-CE 3.25Å; D105-K110 IonicContact OD1-NZ 3.06Å; D105-K110 PolarHBondContact OD1-NZ 3.16Å; D105-K110 IonicContact OD2-NZ 3.26Å; D105-K110 PolarHBondContact OD2-NZ 3.34Å; D105-K110 VanDerWaalsContact OD2-NZ 3.11Å; K110-G112 PolarHBondContact O-N 3.03Å; K110-D113 PolarHBondContact N-OD2 3.17Å; K110-D113 VanDerWaalsContact O-CB 3.25Å; K110-D113 WeakPolarHBondContact O-CB 3.41Å; K110-D113 PolarHBondContact O-N 2.95Å; K110-Y116 WeakPolarHBondContact O-CB 3.47Å; K110-Y116 WeakPolarHBondContact O-CD2 3.33Å
111K96.5Very high98Very high182 Ų18243.8 Ų43.879%0.79124%0.241SC*.THydrogen-bonded Turntrans-57.1125.1171.9-173.3178.3-178.3179.20109.7Y116K111-Y116 HydrophobicContact CB-CD1 4.2Å; K111-Y116 HydrophobicContact CB-CE1 3.82Å; K111-Y116 HydrophobicContact CB-CE2 4.47Å; K111-Y116 HydrophobicContact CG-CD1 4.34Å; K111-Y116 HydrophobicContact CG-CE1 4.06Å
112G96.6Very high98Very high74 Ų7443.8 Ų43.876%0.76324%0.241SC*.THydrogen-bonded Turntrans106.3-17.3-174.300000113.5K110K110-G112 PolarHBondContact O-N 3.03Å
113D97.8Very high98Very high31 Ų3143.7 Ų43.717%0.16624%0.24CC..SBendtrans-70.3148.9174.1-68.7-14.6000111.6G106 L107 H109 K110 N115 Y116G106-D113 VanDerWaalsContact CA-OD1 3.31Å; G106-D113 WeakPolarHBondContact CA-OD1 3.35Å; G106-D113 PolarHBondContact N-OD2 3.28Å; L107-D113 VanDerWaalsContact C-CB 3.44Å; L107-D113 PolarHBondContact N-OD2 3.07Å; L107-D113 WeakPolarHBondContact O-CB 3.35Å; H109-D113 PolarHBondContact N-OD2 3.14Å; K110-D113 PolarHBondContact N-OD2 3.17Å; K110-D113 VanDerWaalsContact O-CB 3.25Å; K110-D113 WeakPolarHBondContact O-CB 3.41Å; K110-D113 PolarHBondContact O-N 2.95Å; D113-N115 VanDerWaalsContact C-N 3.26Å; D113-N115 PolarHBondContact O-N 3.47Å; D113-N115 VanDerWaalsContact O-N 3.11Å; D113-Y116 WeakPolarHBondContact O-CB 3.21Å; D113-Y116 PolarHBondContact O-N 3.42Å; D113-Y116 VanDerWaalsContact O-N 3.11Å
114P97.5Very high97.9Very high81 Ų8146.6 Ų46.653%0.52625%0.254SS..THydrogen-bonded Turntrans-55-33.6-174.2-28.334.6000115.9R73R73-P114 PolarHBondContact NH1-O 3.46Å
115N98.4Very high97.8Very high1 Ų141.5 Ų41.51%0.00524%0.235CC..THydrogen-bonded Turntrans-115.422.6-177-70.4-4.5000112.1G67 R73 L107 N108 D113 D117 I118 K119G67-N115 PolarHBondContact O-ND2 2.96Å; R73-N115 WeakPolarHBondContact CD-OD1 3.29Å; R73-N115 WeakPolarHBondContact CG-OD1 3.4Å; R73-N115 PolarHBondContact NH1-OD1 3.43Å; L107-N115 HydrophobicContact CD1-CB 4.42Å; L107-N115 WeakPolarHBondContact O-CA 3.4Å; L107-N115 WeakPolarHBondContact O-CB 3.2Å; L107-N115 PolarHBondContact O-N 3.5Å; N108-N115 HydrophobicContact CB-CB 3.78Å; N108-N115 WeakPolarHBondContact CB-O 3.49Å; D113-N115 VanDerWaalsContact C-N 3.26Å; D113-N115 PolarHBondContact O-N 3.47Å; D113-N115 VanDerWaalsContact O-N 3.11Å; N115-D117 WeakPolarHBondContact CA-OD1 3.05Å; N115-D117 PolarHBondContact O-N 2.55Å; N115-I118 HydrophobicContact CB-CB 4.38Å; N115-I118 HydrophobicContact CB-CD1 4.16Å; N115-I118 HydrophobicContact CB-CG1 4.47Å; N115-I118 WeakPolarHBondContact O-CB 3.39Å; N115-I118 PolarHBondContact O-N 2.74Å; N115-K119 PolarHBondContact O-N 2.78Å
116Y98.4Very high97.7Very high43 Ų4338.2 Ų38.217%0.16922%0.217CC..Hα-helixtrans-60.9-34176.9-178-110.4000112.5K110 K111 D113 I118 K119 Q120 E391K110-Y116 WeakPolarHBondContact O-CB 3.47Å; K110-Y116 WeakPolarHBondContact O-CD2 3.33Å; K111-Y116 HydrophobicContact CB-CD1 4.2Å; K111-Y116 HydrophobicContact CB-CE1 3.82Å; K111-Y116 HydrophobicContact CB-CE2 4.47Å; K111-Y116 HydrophobicContact CG-CD1 4.34Å; K111-Y116 HydrophobicContact CG-CE1 4.06Å; D113-Y116 WeakPolarHBondContact O-CB 3.21Å; D113-Y116 PolarHBondContact O-N 3.42Å; D113-Y116 VanDerWaalsContact O-N 3.11Å; Y116-I118 VanDerWaalsContact C-N 3.27Å; Y116-I118 PolarHBondContact O-N 2.98Å; Y116-K119 HydrophobicContact CD2-CD 4.22Å; Y116-K119 HydrophobicContact CE2-CD 4.14Å; Y116-K119 WeakPolarHBondContact O-CB 3.45Å; Y116-K119 PolarHBondContact O-N 3.43Å; Y116-K119 VanDerWaalsContact O-N 3.13Å; Y116-Q120 HydrophobicContact CD1-CG 4.33Å; Y116-Q120 HydrophobicContact CE1-CG 4Å; Y116-Q120 VanDerWaalsContact CZ-NE2 3.26Å; Y116-Q120 WeakPolarHBondContact O-CG 3.39Å; Y116-Q120 PolarHBondContact O-N 3.29Å; Y116-Q120 PolarHBondContact OH-NE2 3.02Å; Y116-Q120 VanDerWaalsContact OH-NE2 3.08Å; Y116-E391 VanDerWaalsContact CE2-OE1 3.22Å; Y116-E391 WeakPolarHBondContact CE2-OE1 3.13Å; Y116-E391 PolarHBondContact OH-OE1 2.89Å; Y116-E391 PolarHBondContact OH-OE2 3.12Å
117D98.4Very high97.5Very high77 Ų7736 Ų3641%0.41219%0.194SC..Hα-helixtrans-61.2-35.6173.465-40.6000112.6R73 N115 Q120 L121R73-D117 IonicContact CZ-OD1 3.11Å; R73-D117 IonicContact CZ-OD2 3.65Å; R73-D117 IonicContact NH1-OD1 3.35Å; R73-D117 PolarHBondContact NH1-OD1 2.84Å; R73-D117 IonicContact NH1-OD2 2.88Å; R73-D117 IonicContact NH2-OD1 2.75Å; R73-D117 PolarHBondContact NH2-OD1 2.63Å; R73-D117 IonicContact NH2-OD2 3.48Å; R73-D117 PolarHBondContact NH2-OD2 3.12Å; N115-D117 WeakPolarHBondContact CA-OD1 3.05Å; N115-D117 PolarHBondContact O-N 2.55Å; D117-Q120 WeakPolarHBondContact O-CB 3.26Å; D117-Q120 PolarHBondContact O-N 2.83Å; D117-L121 PolarHBondContact O-N 2.96Å
118I98.6Very high97.2Very high1 Ų138.4 Ų38.41%0.00520%0.204CC..Hα-helixtrans-69.4-36.9173.6-60.7178.5000110.9R73 Q76 E77 L80 F101 N115 Y116 Q120 L121 A122R73-I118 HydrophobicContact CB-CD1 3.89Å; R73-I118 HydrophobicContact CG-CD1 3.78Å; Q76-I118 HydrophobicContact CB-CD1 4.19Å; Q76-I118 HydrophobicContact CB-CG2 4.03Å; E77-I118 HydrophobicContact CG-CG1 4.32Å; L80-I118 HydrophobicContact CD1-CG2 3.96Å; F101-I118 HydrophobicContact CE2-CG2 3.87Å; F101-I118 HydrophobicContact CZ-CG2 4.1Å; N115-I118 HydrophobicContact CB-CB 4.38Å; N115-I118 HydrophobicContact CB-CD1 4.16Å; N115-I118 HydrophobicContact CB-CG1 4.47Å; N115-I118 WeakPolarHBondContact O-CB 3.39Å; N115-I118 PolarHBondContact O-N 2.74Å; Y116-I118 VanDerWaalsContact C-N 3.27Å; Y116-I118 PolarHBondContact O-N 2.98Å; I118-Q120 VanDerWaalsContact C-N 3.33Å; I118-Q120 PolarHBondContact O-N 2.89Å; I118-L121 PolarHBondContact O-N 3.29Å; I118-A122 WeakPolarHBondContact O-CB 3.47Å; I118-A122 PolarHBondContact O-N 2.84Å
119K98.5Very high96.9Very high0 Ų039.1 Ų39.10%021%0.206CC..Hα-helixtrans-60.8-42.4171.6177.6-172.2173.1-1540111.1F101 N108 H109 N115 Y116 L121 A122 L123 E391 D395F101-K119 HydrophobicContact CE1-CB 4.23Å; N108-K119 WeakPolarHBondContact O-CB 3.38Å; N108-K119 WeakPolarHBondContact O-CD 3.47Å; H109-K119 WeakPolarHBondContact O-CD 3.1Å; H109-K119 PolarHBondContact O-NZ 2.88Å; N115-K119 PolarHBondContact O-N 2.78Å; Y116-K119 HydrophobicContact CD2-CD 4.22Å; Y116-K119 HydrophobicContact CE2-CD 4.14Å; Y116-K119 WeakPolarHBondContact O-CB 3.45Å; Y116-K119 PolarHBondContact O-N 3.43Å; Y116-K119 VanDerWaalsContact O-N 3.13Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 3.36Å; K119-A122 WeakPolarHBondContact O-CB 3.28Å; K119-A122 PolarHBondContact O-N 3.42Å; K119-A122 VanDerWaalsContact O-N 3.12Å; K119-L123 HydrophobicContact CG-CD1 4.23Å; K119-L123 WeakPolarHBondContact O-CG 3.38Å; K119-L123 PolarHBondContact O-N 3.15Å; K119-E391 VanDerWaalsContact NZ-CG 3.27Å; K119-E391 IonicContact NZ-OE1 3.74Å; K119-E391 PolarHBondContact NZ-OE1 3.12Å; K119-D395 WeakPolarHBondContact CE-OD1 3.38Å; K119-D395 IonicContact NZ-OD1 3.85Å; K119-D395 PolarHBondContact NZ-OD1 2.83Å; K119-D395 IonicContact NZ-OD2 2.86Å; K119-D395 PolarHBondContact NZ-OD2 3.49Å
120Q98.2Very high96.6Very high65 Ų6538.9 Ų38.930%0.30421%0.205SC..Hα-helixtrans-60.4-42.1175.6-65.5-59.6-60.100111.8Y116 D117 I118 A122 L123 E124 E391Y116-Q120 HydrophobicContact CD1-CG 4.33Å; Y116-Q120 HydrophobicContact CE1-CG 4Å; Y116-Q120 VanDerWaalsContact CZ-NE2 3.26Å; Y116-Q120 WeakPolarHBondContact O-CG 3.39Å; Y116-Q120 PolarHBondContact O-N 3.29Å; Y116-Q120 PolarHBondContact OH-NE2 3.02Å; Y116-Q120 VanDerWaalsContact OH-NE2 3.08Å; D117-Q120 WeakPolarHBondContact O-CB 3.26Å; D117-Q120 PolarHBondContact O-N 2.83Å; I118-Q120 VanDerWaalsContact C-N 3.33Å; I118-Q120 PolarHBondContact O-N 2.89Å; Q120-A122 VanDerWaalsContact C-N 3.33Å; Q120-A122 PolarHBondContact O-N 3.46Å; Q120-L123 PolarHBondContact O-N 3.43Å; Q120-E124 PolarHBondContact O-N 2.97Å; Q120-E391 PolarHBondContact NE2-OE1 2.8Å
121L98.3Very high96.5Very high17 Ų1734.2 Ų34.29%0.08919%0.185CC..Hα-helixtrans-65.1-36.3173.9-175.664.1000112.4E77 L80 R81 I84 D117 I118 K119 E124 C125E77-L121 HydrophobicContact CB-CD2 4.24Å; E77-L121 HydrophobicContact CG-CD2 4.13Å; L80-L121 HydrophobicContact CB-CD2 3.78Å; L80-L121 HydrophobicContact CB-CG 3.81Å; L80-L121 HydrophobicContact CD1-CB 4.15Å; L80-L121 HydrophobicContact CD1-CD2 3.91Å; L80-L121 HydrophobicContact CD1-CG 3.89Å; L80-L121 HydrophobicContact CG-CG 4.5Å; R81-L121 HydrophobicContact CG-CD1 4.43Å; R81-L121 HydrophobicContact CG-CD2 4.15Å; I84-L121 HydrophobicContact CD1-CD1 3.56Å; I84-L121 HydrophobicContact CD1-CG 4.37Å; D117-L121 PolarHBondContact O-N 2.96Å; I118-L121 PolarHBondContact O-N 3.29Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 3.36Å; L121-E124 PolarHBondContact O-N 3.44Å; L121-C125 WeakPolarHBondContact O-CB 3.41Å; L121-C125 PolarHBondContact O-N 3.34Å
122A98.5Very high96.6Very high0 Ų025.5 Ų25.50%015%0.147CC..Hα-helixtrans-66.2-40.3175.500000112.1L80 F101 I118 K119 Q120 C125 A126 P132 W394L80-A122 HydrophobicContact CD1-CB 4.1Å; L80-A122 HydrophobicContact CD2-CB 4.21Å; F101-A122 HydrophobicContact CD1-CB 3.93Å; F101-A122 HydrophobicContact CE1-CB 4.07Å; F101-A122 HydrophobicContact CG-CB 4.25Å; F101-A122 HydrophobicContact CZ-CB 4.5Å; I118-A122 WeakPolarHBondContact O-CB 3.47Å; I118-A122 PolarHBondContact O-N 2.84Å; K119-A122 WeakPolarHBondContact O-CB 3.28Å; K119-A122 PolarHBondContact O-N 3.42Å; K119-A122 VanDerWaalsContact O-N 3.12Å; Q120-A122 VanDerWaalsContact C-N 3.33Å; Q120-A122 PolarHBondContact O-N 3.46Å; A122-C125 WeakPolarHBondContact O-CB 3.47Å; A122-C125 PolarHBondContact O-N 2.99Å; A122-A126 WeakPolarHBondContact O-CB 3.47Å; A122-A126 PolarHBondContact O-N 3.04Å; A122-P132 HydrophobicContact CB-CG 3.94Å; A122-P132 WeakPolarHBondContact O-CD 3.28Å; A122-W394 HydrophobicContact CB-CH2 4.36Å; A122-W394 HydrophobicContact CB-CZ3 4.22Å
123L97.7Very high96.6Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-63-45.1173.5-72.7162.5000111.4K119 Q120 C125 A126 S127 L390 E391 W394K119-L123 HydrophobicContact CG-CD1 4.23Å; K119-L123 WeakPolarHBondContact O-CG 3.38Å; K119-L123 PolarHBondContact O-N 3.15Å; Q120-L123 PolarHBondContact O-N 3.43Å; L123-C125 VanDerWaalsContact C-N 3.31Å; L123-C125 PolarHBondContact O-N 3.16Å; L123-A126 PolarHBondContact O-N 2.96Å; L123-S127 WeakPolarHBondContact O-CB 2.89Å; L123-S127 PolarHBondContact O-N 2.96Å; L123-L390 HydrophobicContact CD2-CB 4.17Å; L123-L390 HydrophobicContact CD2-CD2 3.63Å; L123-L390 HydrophobicContact CD2-CG 3.64Å; L123-E391 HydrophobicContact CD1-CB 3.71Å; L123-E391 HydrophobicContact CD1-CG 3.85Å; L123-E391 HydrophobicContact CD2-CB 4.22Å; L123-W394 HydrophobicContact CD2-CD2 3.62Å; L123-W394 HydrophobicContact CD2-CE3 3.53Å; L123-W394 HydrophobicContact CD2-CG 4.15Å; L123-W394 HydrophobicContact CD2-CH2 4.27Å; L123-W394 HydrophobicContact CD2-CZ2 4.34Å; L123-W394 HydrophobicContact CD2-CZ3 3.88Å; L123-W394 HydrophobicContact CG-CE3 4.05Å; L123-W394 HydrophobicContact CG-CZ3 4.04Å
124E96.9Very high96.7Very high62 Ų6220.5 Ų20.529%0.2910%0.103SC..Hα-helixtrans-57.7-46.8173.9-175.6-172171.700110.6I84 Q120 L121 S127 K128 L387I84-E124 HydrophobicContact CD1-CB 4.49Å; I84-E124 HydrophobicContact CD1-CG 4.27Å; Q120-E124 PolarHBondContact O-N 2.97Å; L121-E124 PolarHBondContact O-N 3.44Å; E124-S127 PolarHBondContact O-N 3.01Å; E124-S127 PolarHBondContact O-OG 3.12Å; E124-K128 HydrophobicContact CG-CD 4.19Å; E124-K128 PolarHBondContact O-N 2.61Å; E124-K128 IonicContact OE1-NZ 2.83Å; E124-K128 PolarHBondContact OE1-NZ 2.77Å; E124-L387 HydrophobicContact CB-CD1 4.28Å
125C97Very high96.7Very high0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-59.1-50.6178.4-172.90000111.9L80 R83 I84 L121 A122 L123 S127 K128 R129 Y131L80-C125 HydrophobicContact CD2-CB 3.92Å; R83-C125 WeakPolarHBondContact CG-SG 3.41Å; I84-C125 HydrophobicContact CD1-CB 3.98Å; I84-C125 HydrophobicContact CG1-CB 3.79Å; L121-C125 WeakPolarHBondContact O-CB 3.41Å; L121-C125 PolarHBondContact O-N 3.34Å; A122-C125 WeakPolarHBondContact O-CB 3.47Å; A122-C125 PolarHBondContact O-N 2.99Å; L123-C125 VanDerWaalsContact C-N 3.31Å; L123-C125 PolarHBondContact O-N 3.16Å; C125-S127 VanDerWaalsContact C-N 3.3Å; C125-S127 PolarHBondContact O-N 3.44Å; C125-K128 PolarHBondContact O-N 3.33Å; C125-K128 VanDerWaalsContact O-N 3.14Å; C125-R129 WeakPolarHBondContact O-CB 3.43Å; C125-R129 PolarHBondContact O-N 2.83Å; C125-Y131 CarbonylContact C-O 3.5Å; C125-Y131 VanDerWaalsContact C-O 3.27Å; C125-Y131 PolarHBondContact SG-O 3.49Å
126A95.6Very high96.7Very high0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-60.3-38.8177.900000112A122 L123 K128 M130 Y131 L390 W394A122-A126 WeakPolarHBondContact O-CB 3.47Å; A122-A126 PolarHBondContact O-N 3.04Å; L123-A126 PolarHBondContact O-N 2.96Å; A126-K128 VanDerWaalsContact C-N 3.27Å; A126-K128 PolarHBondContact O-N 2.78Å; A126-M130 WeakPolarHBondContact O-CA 3.32Å; A126-M130 PolarHBondContact O-N 2.79Å; A126-Y131 WeakPolarHBondContact CA-O 3.44Å; A126-Y131 PolarHBondContact N-O 2.9Å; A126-L390 HydrophobicContact CB-CD2 4.16Å; A126-W394 HydrophobicContact CB-CH2 4.13Å; A126-W394 HydrophobicContact CB-CZ2 3.76Å
127S92.7Very high96.7Very high2 Ų216.9 Ų16.91%0.0148%0.079CC..Hα-helixtrans-66.2-27.6178.280.90000113.7L123 E124 C125 Q384 L387 I410L123-S127 WeakPolarHBondContact O-CB 2.89Å; L123-S127 PolarHBondContact O-N 2.96Å; E124-S127 PolarHBondContact O-N 3.01Å; E124-S127 PolarHBondContact O-OG 3.12Å; C125-S127 VanDerWaalsContact C-N 3.3Å; C125-S127 PolarHBondContact O-N 3.44Å; S127-Q384 WeakPolarHBondContact O-CG 3.42Å; S127-Q384 PolarHBondContact O-NE2 2.82Å; S127-L387 VanDerWaalsContact CB-CD2 3.47Å; S127-L387 WeakPolarHBondContact OG-CD2 3.41Å; S127-I410 VanDerWaalsContact O-CD1 3.31Å; S127-I410 WeakPolarHBondContact O-CD1 3.42Å
128K92.2Very high96.7Very high67 Ų6716.7 Ų16.729%0.2918%0.078SC..Hα-helixtrans-98.6-27-177.3-71.1178.6177.9176.30113.3I84 E124 C125 A126 Q384 I410I84-K128 HydrophobicContact CG2-CD 4.13Å; E124-K128 HydrophobicContact CG-CD 4.19Å; E124-K128 PolarHBondContact O-N 2.61Å; E124-K128 IonicContact OE1-NZ 2.83Å; E124-K128 PolarHBondContact OE1-NZ 2.77Å; C125-K128 PolarHBondContact O-N 3.33Å; C125-K128 VanDerWaalsContact O-N 3.14Å; A126-K128 VanDerWaalsContact C-N 3.27Å; A126-K128 PolarHBondContact O-N 2.78Å; K128-Q384 HydrophobicContact CG-CG 4.25Å; K128-I410 WeakPolarHBondContact O-CD1 3.41Å; K128-I410 VanDerWaalsContact O-CG2 3.27Å; K128-I410 WeakPolarHBondContact O-CG2 3.45Å
129R93.1Very high96.7Very high14 Ų1418 Ų185%0.0538%0.084CC..Hα-helixtrans-139.97.9-164.8-55.9-67.5-174.1-165.30.7113.6R83 I84 R91 T93 C125 Y131 E412R83-R129 HydrophobicContact CG-CB 3.8Å; R83-R129 HydrophobicContact CG-CG 4.04Å; R83-R129 WeakPolarHBondContact O-CD 3.41Å; R83-R129 VanDerWaalsContact O-CG 3.29Å; R83-R129 WeakPolarHBondContact O-CG 3.32Å; R83-R129 PolarHBondContact O-NE 2.95Å; R83-R129 VanDerWaalsContact O-NE 3.13Å; I84-R129 PolarHBondContact O-NE 2.92Å; I84-R129 PolarHBondContact O-NH2 2.98Å; R91-R129 PolarHBondContact O-NH1 3.19Å; R91-R129 PolarHBondContact O-NH2 3.3Å; T93-R129 HydrophobicContact CG2-CB 4.2Å; T93-R129 WeakPolarHBondContact CG2-O 3.35Å; T93-R129 VanDerWaalsContact OG1-CD 3.28Å; T93-R129 WeakPolarHBondContact OG1-CD 3.06Å; T93-R129 PolarHBondContact OG1-NH1 2.73Å; C125-R129 WeakPolarHBondContact O-CB 3.43Å; C125-R129 PolarHBondContact O-N 2.83Å; R129-Y131 PolarHBondContact O-N 2.92Å; R129-E412 IonicContact CZ-OE1 3.69Å; R129-E412 IonicContact NH1-OE1 3.17Å; R129-E412 PolarHBondContact NH1-OE1 2.88Å; R129-E412 IonicContact NH2-OE1 3.61Å
130M91.9Very high96.7Very high1 Ų118 Ų181%0.0058%0.084CC..SBendtrans67.6-46.7-179.2-146.4169.6-45.300115A126 T406 T408 I410 T445 R447 L452A126-M130 WeakPolarHBondContact O-CA 3.32Å; A126-M130 PolarHBondContact O-N 2.79Å; M130-T406 WeakPolarHBondContact CG-O 3.37Å; M130-T408 WeakPolarHBondContact CE-O 3.4Å; M130-I410 HydrophobicContact CE-CG1 4.06Å; M130-T445 HydrophobicContact CE-CG2 4.26Å; M130-R447 HydrophobicContact SD-CB 3.68Å; M130-L452 HydrophobicContact CB-CD1 4.3Å; M130-L452 HydrophobicContact CB-CD2 4.11Å; M130-L452 HydrophobicContact CE-CD2 3.81Å; M130-L452 HydrophobicContact CG-CD2 4.08Å; M130-L452 HydrophobicContact SD-CD2 3.26Å; M130-L452 WeakPolarHBondContact SD-CD2 3.37Å
131Y94.9Very high96.6Very high0 Ų017.1 Ų17.10%08%0.083CC..PPolyproline II helixtrans-79.5148.6169.2-70.6-42.2000111.4V95 K98 C125 A126 R129 L452V95-Y131 WeakPolarHBondContact O-CE2 3.43Å; K98-Y131 HydrophobicContact CB-CE1 4.48Å; K98-Y131 HydrophobicContact CB-CE2 4.24Å; K98-Y131 HydrophobicContact CD-CE1 4.12Å; K98-Y131 HydrophobicContact CG-CD1 4.2Å; K98-Y131 HydrophobicContact CG-CE1 3.63Å; K98-Y131 HydrophobicContact CG-CE2 4.25Å; C125-Y131 CarbonylContact C-O 3.5Å; C125-Y131 VanDerWaalsContact C-O 3.27Å; C125-Y131 PolarHBondContact SG-O 3.49Å; A126-Y131 WeakPolarHBondContact CA-O 3.44Å; A126-Y131 PolarHBondContact N-O 2.9Å; R129-Y131 PolarHBondContact O-N 2.92Å; Y131-L452 HydrophobicContact CD2-CD1 3.72Å; Y131-L452 HydrophobicContact CD2-CG 4.42Å; Y131-L452 HydrophobicContact CE2-CD1 3.49Å; Y131-L452 VanDerWaalsContact CE2-CD1 3.49Å; Y131-L452 HydrophobicContact CE2-CG 3.73Å
132P97.6Very high96.6Very high0 Ų023.8 Ų23.80%011%0.111CC..PPolyproline II helixcis-83.4148.910.933.5-35.9000115L80 L99 F101 A122 W394L80-P132 HydrophobicContact CD2-CG 4.09Å; L99-P132 HydrophobicContact CB-CB 3.81Å; L99-P132 VanDerWaalsContact O-CA 3.32Å; L99-P132 WeakPolarHBondContact O-CA 3.48Å; F101-P132 HydrophobicContact CB-CB 3.76Å; F101-P132 HydrophobicContact CB-CG 3.86Å; A122-P132 HydrophobicContact CB-CG 3.94Å; A122-P132 WeakPolarHBondContact O-CD 3.28Å; P132-W394 HydrophobicContact CG-CH2 4.26Å
133D97.5Very high96.5Very high0 Ų024.5 Ų24.50%012%0.115CC..EExtended strand (participates in β ladder)trans-73.6158.6156.7-65.3-13.6000108.7K98 L99 V100 F101 Y403 G405 R447K98-D133 WeakPolarHBondContact CE-OD2 3.09Å; K98-D133 IonicContact NZ-OD2 2.61Å; K98-D133 PolarHBondContact NZ-OD2 2.82Å; L99-D133 PolarHBondContact O-N 3.03Å; V100-D133 CarbonylContact C-O 3.6Å; V100-D133 VanDerWaalsContact CA-O 3.3Å; V100-D133 WeakPolarHBondContact CA-O 3.5Å; F101-D133 PolarHBondContact N-O 2.88Å; D133-Y403 HydrophobicContact CB-CD2 4.44Å; D133-Y403 HydrophobicContact CB-CE2 3.53Å; D133-Y403 PolarHBondContact OD2-OH 3.08Å; D133-G405 WeakPolarHBondContact OD1-CA 3.21Å; D133-R447 VanDerWaalsContact CG-NH1 3.29Å; D133-R447 IonicContact OD1-CZ 3.03Å; D133-R447 VanDerWaalsContact OD1-CZ 3.26Å; D133-R447 IonicContact OD1-NH1 3.14Å; D133-R447 PolarHBondContact OD1-NH1 2.93Å; D133-R447 IonicContact OD1-NH2 2.77Å; D133-R447 PolarHBondContact OD1-NH2 3.14Å; D133-R447 IonicContact OD2-CZ 2.82Å; D133-R447 IonicContact OD2-NH1 3.87Å; D133-R447 PolarHBondContact OD2-NH1 3.4Å
134I98.4Very high96.4Very high0 Ų025.1 Ų25.10%012%0.119CC..EExtended strand (participates in β ladder)trans-113.4139.1-177.561.8171.6000113.7F101 I103 W394 S397 Y403 Y404F101-I134 HydrophobicContact CD1-CG2 4.42Å; F101-I134 CarbonylContact O-C 3.59Å; F101-I134 WeakPolarHBondContact O-CA 3.46Å; I103-I134 HydrophobicContact CD1-CB 4.02Å; I103-I134 HydrophobicContact CD1-CD1 3.82Å; I103-I134 HydrophobicContact CD1-CG2 3.9Å; I103-I134 HydrophobicContact CG1-CB 4.32Å; I103-I134 HydrophobicContact CG1-CG2 4.32Å; I134-W394 HydrophobicContact CD1-CB 3.85Å; I134-W394 HydrophobicContact CD1-CD2 3.78Å; I134-W394 HydrophobicContact CD1-CE3 4.25Å; I134-W394 HydrophobicContact CD1-CG 3.62Å; I134-W394 HydrophobicContact CG2-CD2 3.82Å; I134-W394 HydrophobicContact CG2-CE3 3.56Å; I134-W394 HydrophobicContact CG2-CH2 3.41Å; I134-W394 VanDerWaalsContact CG2-CH2 3.41Å; I134-W394 HydrophobicContact CG2-CZ2 3.67Å; I134-W394 HydrophobicContact CG2-CZ3 3.36Å; I134-S397 WeakPolarHBondContact CD1-OG 3.28Å; I134-Y403 VanDerWaalsContact O-CD2 3.32Å; I134-Y403 WeakPolarHBondContact O-CD2 3.28Å; I134-Y404 HydrophobicContact CD1-CD1 4.18Å; I134-Y404 HydrophobicContact CG1-CD1 4.22Å; I134-Y404 HydrophobicContact CG1-CG 4.5Å; I134-Y404 PolarHBondContact N-O 2.78Å; I134-Y404 PolarHBondContact O-N 3.01Å
135L98.6Very high96.3Very high1 Ų124.2 Ų24.21%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-106.6116.1169.1-72.2172.3000109.6V100 F101 A102 I103 Y137 V140 F147 T149 F156 P402 Y403V100-L135 HydrophobicContact CG1-CB 4.37Å; V100-L135 HydrophobicContact CG1-CD1 3.35Å; V100-L135 HydrophobicContact CG1-CD2 4.22Å; V100-L135 HydrophobicContact CG1-CG 3.33Å; F101-L135 PolarHBondContact O-N 3.21Å; A102-L135 CarbonylContact C-O 3.58Å; A102-L135 WeakPolarHBondContact CA-O 3.16Å; I103-L135 PolarHBondContact N-O 3.31Å; L135-Y137 PolarHBondContact O-N 3.06Å; L135-V140 HydrophobicContact CB-CG2 4.18Å; L135-V140 HydrophobicContact CD2-CG2 3.98Å; L135-F147 HydrophobicContact CB-CE2 4.19Å; L135-F147 HydrophobicContact CB-CZ 4.39Å; L135-F147 HydrophobicContact CD1-CZ 4.19Å; L135-T149 HydrophobicContact CD1-CG2 4.27Å; L135-F156 HydrophobicContact CD2-CE1 3.98Å; L135-F156 HydrophobicContact CD2-CZ 3.68Å; L135-P402 WeakPolarHBondContact CA-O 3.34Å; L135-Y403 HydrophobicContact CD2-CD1 4.36Å; L135-Y403 HydrophobicContact CD2-CD2 3.58Å; L135-Y403 HydrophobicContact CD2-CE2 4.1Å; L135-Y403 HydrophobicContact CD2-CG 3.71Å; L135-Y403 HydrophobicContact CG-CD2 4.27Å; L135-Y403 HydrophobicContact CG-CE2 4.49Å
136N98.6Very high96.3Very high0 Ų024.5 Ų24.50%013%0.128CC..EExtended strand (participates in β ladder)trans-84.8103.4179.9-63.4-36.5000108.9D138 Q139 V140 S397 Y398 V401 P402N136-D138 VanDerWaalsContact C-N 3.34Å; N136-D138 PolarHBondContact O-N 2.87Å; N136-Q139 HydrophobicContact CB-CB 4.31Å; N136-Q139 HydrophobicContact CB-CG 4.45Å; N136-Q139 PolarHBondContact O-N 2.9Å; N136-Q139 VanDerWaalsContact O-N 3.11Å; N136-V140 WeakPolarHBondContact O-CB 3.27Å; N136-V140 VanDerWaalsContact O-CG2 3.3Å; N136-V140 WeakPolarHBondContact O-CG2 3.43Å; N136-V140 PolarHBondContact O-N 3.48Å; N136-S397 PolarHBondContact ND2-O 2.8Å; N136-S397 PolarHBondContact ND2-OG 2.82Å; N136-S397 VanDerWaalsContact ND2-OG 3.09Å; N136-Y398 HydrophobicContact CB-CD2 3.89Å; N136-Y398 HydrophobicContact CB-CE2 4.4Å; N136-Y398 HydrophobicContact CB-CG 4.44Å; N136-Y398 WeakPolarHBondContact ND2-CA 3.25Å; N136-Y398 PolarHBondContact ND2-N 3.48Å; N136-V401 WeakPolarHBondContact CB-O 3.23Å; N136-V401 PolarHBondContact ND2-O 3.03Å; N136-P402 PolarHBondContact N-O 3.31Å
137Y98.4Very high96.3Very high48 Ų4826.1 Ų26.119%0.18814%0.136CC..Hα-helixtrans-49-51.7-165.5-177.7-81.8000112.8L66 I103 R104 L135 Q139 V140 V141 F147L66-Y137 HydrophobicContact CD1-CD2 3.93Å; L66-Y137 HydrophobicContact CD1-CE2 3.79Å; L66-Y137 HydrophobicContact CD2-CD2 3.85Å; L66-Y137 HydrophobicContact CD2-CE2 4.34Å; I103-Y137 WeakPolarHBondContact O-CB 3.28Å; I103-Y137 PolarHBondContact O-N 2.95Å; R104-Y137 HydrophobicContact CB-CG 4.19Å; R104-Y137 HydrophobicContact CG-CD1 4.14Å; R104-Y137 HydrophobicContact CG-CD2 4.42Å; R104-Y137 HydrophobicContact CG-CG 3.95Å; L135-Y137 PolarHBondContact O-N 3.06Å; Y137-Q139 PolarHBondContact O-N 3.46Å; Y137-V140 PolarHBondContact O-N 2.86Å; Y137-V141 HydrophobicContact CD1-CG2 4.09Å; Y137-V141 HydrophobicContact CE1-CG2 3.76Å; Y137-V141 WeakPolarHBondContact O-CG2 3.45Å; Y137-V141 PolarHBondContact O-N 2.88Å; Y137-F147 HydrophobicContact CD2-CB 3.9Å; Y137-F147 HydrophobicContact CD2-CD1 4.16Å; Y137-F147 AromaticContact CD2-CD2 3.22Å; Y137-F147 HydrophobicContact CD2-CD2 3.22Å; Y137-F147 AromaticContact CD2-CE2 3.76Å; Y137-F147 HydrophobicContact CD2-CE2 3.76Å; Y137-F147 AromaticContact CD2-CG 3.46Å; Y137-F147 HydrophobicContact CD2-CG 3.46Å; Y137-F147 VanDerWaalsContact CD2-CG 3.46Å; Y137-F147 HydrophobicContact CD2-CZ 4.43Å; Y137-F147 HydrophobicContact CE2-CB 3.43Å; Y137-F147 VanDerWaalsContact CE2-CB 3.43Å; Y137-F147 HydrophobicContact CE2-CD1 4.06Å; Y137-F147 AromaticContact CE2-CD2 3.73Å; Y137-F147 HydrophobicContact CE2-CD2 3.73Å; Y137-F147 AromaticContact CE2-CG 3.44Å; Y137-F147 HydrophobicContact CE2-CG 3.44Å; Y137-F147 VanDerWaalsContact CE2-CG 3.44Å; Y137-F147 AromaticContact CG-CD2 3.84Å; Y137-F147 HydrophobicContact CG-CD2 3.84Å; Y137-F147 HydrophobicContact CG-CE2 4.36Å; Y137-F147 HydrophobicContact CG-CG 4.4Å
138D98Very high96.4Very high73 Ų7326.5 Ų26.539%0.3914%0.137SC..Hα-helixtrans-65.7-40.7-175.4-62.4-29.3000112N136 V141 K142 Y398N136-D138 VanDerWaalsContact C-N 3.34Å; N136-D138 PolarHBondContact O-N 2.87Å; D138-V141 PolarHBondContact O-N 3.18Å; D138-K142 VanDerWaalsContact O-CB 3.29Å; D138-K142 WeakPolarHBondContact O-CB 3.11Å; D138-K142 PolarHBondContact O-N 3.31Å; D138-Y398 WeakPolarHBondContact OD2-CE1 3.32Å; D138-Y398 PolarHBondContact OD2-OH 2.74Å
139Q98.1Very high96.6Very high27 Ų2726.1 Ų26.113%0.12614%0.14CC..Hα-helixtrans-69.6-38.7177-65.1-58.4-31.200111.7N136 Y137 V141 K142 V143 Y398 Q399 P402N136-Q139 HydrophobicContact CB-CB 4.31Å; N136-Q139 HydrophobicContact CB-CG 4.45Å; N136-Q139 PolarHBondContact O-N 2.9Å; N136-Q139 VanDerWaalsContact O-N 3.11Å; Y137-Q139 PolarHBondContact O-N 3.46Å; Q139-V141 VanDerWaalsContact C-N 3.34Å; Q139-V141 PolarHBondContact O-N 2.87Å; Q139-K142 PolarHBondContact O-N 3.2Å; Q139-V143 WeakPolarHBondContact O-CB 3.49Å; Q139-V143 WeakPolarHBondContact O-CG2 3.47Å; Q139-V143 PolarHBondContact O-N 3.23Å; Q139-Y398 WeakPolarHBondContact CG-O 3.25Å; Q139-Q399 PolarHBondContact NE2-O 2.71Å; Q139-P402 HydrophobicContact CB-CB 3.97Å
140V98Very high96.8Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-60.9-45.2175.2168.80000110.3L135 N136 Y137 T144 F147 P402L135-V140 HydrophobicContact CB-CG2 4.18Å; L135-V140 HydrophobicContact CD2-CG2 3.98Å; N136-V140 WeakPolarHBondContact O-CB 3.27Å; N136-V140 VanDerWaalsContact O-CG2 3.3Å; N136-V140 WeakPolarHBondContact O-CG2 3.43Å; N136-V140 PolarHBondContact O-N 3.48Å; Y137-V140 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-N 2.89Å; V140-T144 PolarHBondContact O-OG1 3.25Å; V140-F147 HydrophobicContact CB-CD2 4.16Å; V140-F147 HydrophobicContact CB-CE2 4.43Å; V140-F147 HydrophobicContact CG1-CD2 3.78Å; V140-F147 HydrophobicContact CG1-CE2 4.16Å; V140-P402 HydrophobicContact CB-CB 4.46Å; V140-P402 HydrophobicContact CG2-CB 3.74Å; V140-P402 WeakPolarHBondContact CG2-O 3.43Å
141V97.6Very high96.9Very high47 Ų4728 Ų2829%0.28515%0.151SC..Hα-helixtrans-62.6-48.5174.1173.80000110.7Y137 D138 Q139 V143 T144 G145 S146 F147Y137-V141 HydrophobicContact CD1-CG2 4.09Å; Y137-V141 HydrophobicContact CE1-CG2 3.76Å; Y137-V141 WeakPolarHBondContact O-CG2 3.45Å; Y137-V141 PolarHBondContact O-N 2.88Å; D138-V141 PolarHBondContact O-N 3.18Å; Q139-V141 VanDerWaalsContact C-N 3.34Å; Q139-V141 PolarHBondContact O-N 2.87Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.49Å; V141-T144 PolarHBondContact O-N 3.46Å; V141-G145 CarbonylContact O-C 3.51Å; V141-G145 WeakPolarHBondContact O-CA 3.4Å; V141-G145 PolarHBondContact O-N 3.07Å; V141-S146 WeakPolarHBondContact CA-O 3.37Å; V141-F147 HydrophobicContact CG2-CB 3.91Å
142K97Very high96.7Very high158 Ų15829.8 Ų29.869%0.68717%0.169SC*.Hα-helixtrans-56.2-44179.3-178.4-176.2175.3-172.60113D138 Q139D138-K142 VanDerWaalsContact O-CB 3.29Å; D138-K142 WeakPolarHBondContact O-CB 3.11Å; D138-K142 PolarHBondContact O-N 3.31Å; Q139-K142 PolarHBondContact O-N 3.2Å
143V96.6Very high96.4Very high14 Ų1430.1 Ų30.19%0.08517%0.172CC..Hα-helixtrans-78.4-31-173.6167.90000113.2Q139 V141 P367 P368 N371 F374 P402Q139-V143 WeakPolarHBondContact O-CB 3.49Å; Q139-V143 WeakPolarHBondContact O-CG2 3.47Å; Q139-V143 PolarHBondContact O-N 3.23Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.49Å; V143-P367 VanDerWaalsContact CG1-O 3.24Å; V143-P367 WeakPolarHBondContact CG1-O 3.48Å; V143-P368 HydrophobicContact CG2-CG 4.14Å; V143-N371 HydrophobicContact CG1-CB 4.07Å; V143-F374 HydrophobicContact CG1-CD1 4.16Å; V143-F374 HydrophobicContact CG1-CE1 3.42Å; V143-F374 VanDerWaalsContact CG1-CE1 3.42Å; V143-F374 HydrophobicContact CG1-CZ 3.86Å; V143-P402 HydrophobicContact CG2-CB 4.43Å; V143-P402 HydrophobicContact CG2-CG 4.17Å
144T95.7Very high96.3Very high13 Ų1330.3 Ų30.38%0.0817%0.172CC..Hα-helixtrans-123.2-7.8-168.965.90000114.3V140 V141 S146 K148 F156 F374V140-T144 PolarHBondContact O-N 2.89Å; V140-T144 PolarHBondContact O-OG1 3.25Å; V141-T144 PolarHBondContact O-N 3.46Å; T144-S146 PolarHBondContact OG1-O 3.31Å; T144-K148 PolarHBondContact OG1-NZ 3.45Å; T144-F156 HydrophobicContact CG2-CB 4.2Å; T144-F374 HydrophobicContact CG2-CE1 4.07Å; T144-F374 HydrophobicContact CG2-CZ 4.01Å
145G95.5Very high96.2Very high44 Ų4430.8 Ų30.845%0.45418%0.175SC..SBendtrans91.2-10.6178.100000116.5V141V141-G145 CarbonylContact O-C 3.51Å; V141-G145 WeakPolarHBondContact O-CA 3.4Å; V141-G145 PolarHBondContact O-N 3.07Å
146S95.6Very high96.2Very high5 Ų530.8 Ų30.84%0.03518%0.175CC..SBendtrans-153.7175.1-177.952.50000110.2V141 T144 K148 Q167 H169V141-S146 WeakPolarHBondContact CA-O 3.37Å; T144-S146 PolarHBondContact OG1-O 3.31Å; S146-K148 PolarHBondContact O-NZ 2.88Å; S146-Q167 VanDerWaalsContact CB-OE1 3.28Å; S146-H169 PolarHBondContact OG-CE1 3.18Å
147F96.5Very high96.1Very high35 Ų3531.1 Ų31.115%0.15418%0.177CC..  trans-99.3132.6170.3-177.5-90.5000110.8L66 A102 L135 Y137 V140 V141 H169L66-F147 HydrophobicContact CD1-CD1 3.55Å; L66-F147 HydrophobicContact CD1-CE1 3.46Å; L66-F147 VanDerWaalsContact CD1-CE1 3.46Å; L66-F147 HydrophobicContact CD1-CG 4.27Å; L66-F147 HydrophobicContact CD1-CZ 4.11Å; L66-F147 HydrophobicContact CG-CE1 4.27Å; A102-F147 HydrophobicContact CB-CE1 4.31Å; A102-F147 HydrophobicContact CB-CE2 4.15Å; A102-F147 HydrophobicContact CB-CZ 3.5Å; L135-F147 HydrophobicContact CB-CE2 4.19Å; L135-F147 HydrophobicContact CB-CZ 4.39Å; L135-F147 HydrophobicContact CD1-CZ 4.19Å; Y137-F147 HydrophobicContact CD2-CB 3.9Å; Y137-F147 HydrophobicContact CD2-CD1 4.16Å; Y137-F147 AromaticContact CD2-CD2 3.22Å; Y137-F147 HydrophobicContact CD2-CD2 3.22Å; Y137-F147 AromaticContact CD2-CE2 3.76Å; Y137-F147 HydrophobicContact CD2-CE2 3.76Å; Y137-F147 AromaticContact CD2-CG 3.46Å; Y137-F147 HydrophobicContact CD2-CG 3.46Å; Y137-F147 VanDerWaalsContact CD2-CG 3.46Å; Y137-F147 HydrophobicContact CD2-CZ 4.43Å; Y137-F147 HydrophobicContact CE2-CB 3.43Å; Y137-F147 VanDerWaalsContact CE2-CB 3.43Å; Y137-F147 HydrophobicContact CE2-CD1 4.06Å; Y137-F147 AromaticContact CE2-CD2 3.73Å; Y137-F147 HydrophobicContact CE2-CD2 3.73Å; Y137-F147 AromaticContact CE2-CG 3.44Å; Y137-F147 HydrophobicContact CE2-CG 3.44Å; Y137-F147 VanDerWaalsContact CE2-CG 3.44Å; Y137-F147 AromaticContact CG-CD2 3.84Å; Y137-F147 HydrophobicContact CG-CD2 3.84Å; Y137-F147 HydrophobicContact CG-CE2 4.36Å; Y137-F147 HydrophobicContact CG-CG 4.4Å; V140-F147 HydrophobicContact CB-CD2 4.16Å; V140-F147 HydrophobicContact CB-CE2 4.43Å; V140-F147 HydrophobicContact CG1-CD2 3.78Å; V140-F147 HydrophobicContact CG1-CE2 4.16Å; V141-F147 HydrophobicContact CG2-CB 3.91Å; F147-H169 PolarHBondContact O-CD2 3.11Å; F147-H169 PolarHBondContact O-NE2 2.61Å
148K95.5Very high95.8Very high10 Ų1030.3 Ų30.34%0.04318%0.184CC..  trans-161.2163.3174.770-67.290.9-158.50111T144 S146 H169T144-K148 PolarHBondContact OG1-NZ 3.45Å; S146-K148 PolarHBondContact O-NZ 2.88Å; K148-H169 HydrophobicContact CB-CB 4.09Å
149T95.2Very high95.7Very high58 Ų5829.6 Ų29.636%0.35618%0.181SC..PPolyproline II helixtrans-89.5154.1176.255.50000110L135L135-T149 HydrophobicContact CD1-CG2 4.27Å
150P96.6Very high95.5Very high6 Ų630.9 Ų30.94%0.03919%0.185CC..PPolyproline II helixtrans-70.5140.6178.427.5-34.2000111.5V100 G152 S155 F156 Y403V100-P150 HydrophobicContact CG2-CG 4.48Å; P150-G152 PolarHBondContact O-N 3.38Å; P150-S155 CarbonylContact C-O 3.6Å; P150-S155 WeakPolarHBondContact CA-O 3.37Å; P150-F156 HydrophobicContact CB-CD1 4.4Å; P150-F156 HydrophobicContact CB-CE1 3.93Å; P150-F156 HydrophobicContact CB-CE2 4.2Å; P150-F156 HydrophobicContact CB-CZ 3.82Å; P150-F156 HydrophobicContact CG-CE1 4.36Å; P150-F156 HydrophobicContact CG-CZ 4.18Å; P150-Y403 HydrophobicContact CB-CE1 4.36Å; P150-Y403 HydrophobicContact CG-CE1 3.9Å
151M95.7Very high95.4Very high50 Ų5035.6 Ų35.625%0.24621%0.207CC..BIsolated β-bridgetrans-72.2120.5164.7-60.9-179.9-6400109.1C153 S155 L157 N174M151-C153 PolarHBondContact O-N 2.86Å; M151-S155 WeakPolarHBondContact CE-OG 3.12Å; M151-S155 PolarHBondContact N-O 3.31Å; M151-S155 PolarHBondContact O-N 2.89Å; M151-L157 HydrophobicContact CE-CD2 3.5Å; M151-L157 HydrophobicContact CE-CG 3.73Å; M151-L157 HydrophobicContact SD-CD1 4.12Å; M151-L157 HydrophobicContact SD-CD2 3.86Å; M151-L157 HydrophobicContact SD-CG 3.93Å; M151-N174 HydrophobicContact CE-CB 3.85Å
152G91Very high95.1Very high37 Ų3735.1 Ų35.138%0.38120%0.203SC..THydrogen-bonded Turntrans60.6-118.9-176.400000111.6T61 P150T61-G152 PolarHBondContact OG1-O 3.33Å; P150-G152 PolarHBondContact O-N 3.38Å
153C91.2Very high94.8Very high7 Ų737.2 Ų37.25%0.04722%0.215CC..THydrogen-bonded Turntrans-74.1-53.4-172.5-131.80000113.1K98 M151 P314 Y451K98-C153 PolarHBondContact NZ-O 3.1Å; K98-C153 VanDerWaalsContact NZ-O 3.14Å; M151-C153 PolarHBondContact O-N 2.86Å; C153-P314 HydrophobicContact CB-CG 4.17Å; C153-Y451 HydrophobicContact CB-CE1 4.4Å; C153-Y451 WeakPolarHBondContact SG-CE1 3.44Å; C153-Y451 PolarHBondContact SG-OH 2.99Å
154R94.7Very high94.7Very high3 Ų342.7 Ų42.71%0.01124%0.244CC..THydrogen-bonded Turntrans-166.222.6-171.566.7-170.2-170.5-163.46.4114.9F156 Y311 S312 T313 P314 N344 G373 I375 Y403R154-F156 WeakPolarHBondContact O-CD2 3.33Å; R154-Y311 HydrophobicContact CG-CE2 4.29Å; R154-S312 PolarHBondContact NE-O 2.84Å; R154-S312 VanDerWaalsContact NH2-C 3.25Å; R154-S312 PolarHBondContact NH2-O 3.27Å; R154-T313 PolarHBondContact NH2-O 3.47Å; R154-P314 HydrophobicContact CG-CG 4.12Å; R154-P314 VanDerWaalsContact CZ-CA 3.44Å; R154-N344 PolarHBondContact NH1-ND2 3.43Å; R154-N344 PolarHBondContact NH2-ND2 3.4Å; R154-N344 PolarHBondContact NH2-OD1 3.23Å; R154-G373 WeakPolarHBondContact O-CA 3.19Å; R154-I375 VanDerWaalsContact CD-CG2 3.49Å; R154-Y403 HydrophobicContact CB-CD1 4.19Å; R154-Y403 HydrophobicContact CB-CE1 3.94Å
155S96.8Very high94.5Very high10 Ų1044.2 Ų44.27%0.0726%0.262CS..BIsolated β-bridgetrans-83.6124.8176.5-179.80000109.9P150 M151 G372P150-S155 CarbonylContact C-O 3.6Å; P150-S155 WeakPolarHBondContact CA-O 3.37Å; M151-S155 WeakPolarHBondContact CE-OG 3.12Å; M151-S155 PolarHBondContact N-O 3.31Å; M151-S155 PolarHBondContact O-N 2.89Å; S155-G372 CarbonylContact C-O 3.55Å; S155-G372 WeakPolarHBondContact CA-O 3.28Å
156F97.7Very high94.5Very high1 Ų147.2 Ų47.20%0.00427%0.265CS..  trans-109.4138.4-179.9-72-80.1000111L135 T144 P150 R154 G372 F374 Y403L135-F156 HydrophobicContact CD2-CE1 3.98Å; L135-F156 HydrophobicContact CD2-CZ 3.68Å; T144-F156 HydrophobicContact CG2-CB 4.2Å; P150-F156 HydrophobicContact CB-CD1 4.4Å; P150-F156 HydrophobicContact CB-CE1 3.93Å; P150-F156 HydrophobicContact CB-CE2 4.2Å; P150-F156 HydrophobicContact CB-CZ 3.82Å; P150-F156 HydrophobicContact CG-CE1 4.36Å; P150-F156 HydrophobicContact CG-CZ 4.18Å; R154-F156 WeakPolarHBondContact O-CD2 3.33Å; F156-G372 PolarHBondContact N-O 3.41Å; F156-F374 HydrophobicContact CD2-CD1 4.32Å; F156-F374 HydrophobicContact CD2-CD2 4.23Å; F156-F374 AromaticContact CD2-CE1 3.79Å; F156-F374 HydrophobicContact CD2-CE1 3.79Å; F156-F374 AromaticContact CD2-CE2 3.68Å; F156-F374 HydrophobicContact CD2-CE2 3.68Å; F156-F374 AromaticContact CD2-CZ 3.45Å; F156-F374 HydrophobicContact CD2-CZ 3.45Å; F156-F374 VanDerWaalsContact CD2-CZ 3.45Å; F156-F374 AromaticContact CE2-CD2 3.79Å; F156-F374 HydrophobicContact CE2-CD2 3.79Å; F156-F374 HydrophobicContact CE2-CE1 4.26Å; F156-F374 AromaticContact CE2-CE2 3.27Å; F156-F374 HydrophobicContact CE2-CE2 3.27Å; F156-F374 HydrophobicContact CE2-CG 4.46Å; F156-F374 AromaticContact CE2-CZ 3.56Å; F156-F374 HydrophobicContact CE2-CZ 3.56Å; F156-F374 HydrophobicContact CG-CE1 4.38Å; F156-F374 HydrophobicContact CG-CZ 4Å; F156-F374 AromaticContact CZ-CE2 3.84Å; F156-F374 HydrophobicContact CZ-CE2 3.84Å; F156-F374 HydrophobicContact CZ-CZ 4.18Å; F156-Y403 AromaticContact CE2-CD1 3.81Å; F156-Y403 HydrophobicContact CE2-CD1 3.81Å; F156-Y403 HydrophobicContact CE2-CG 4.46Å; F156-Y403 AromaticContact CZ-CD1 3.77Å; F156-Y403 HydrophobicContact CZ-CD1 3.77Å; F156-Y403 HydrophobicContact CZ-CE1 4.39Å; F156-Y403 HydrophobicContact CZ-CG 4.18Å
157L96.2Very high94.4Very high8 Ų851.2 Ų51.24%0.04228%0.283CS..PPolyproline II helixtrans-80.3140.9173.3-67.3166.3000109.9M151 R172M151-L157 HydrophobicContact CE-CD2 3.5Å; M151-L157 HydrophobicContact CE-CG 3.73Å; M151-L157 HydrophobicContact SD-CD1 4.12Å; M151-L157 HydrophobicContact SD-CD2 3.86Å; M151-L157 HydrophobicContact SD-CG 3.93Å; L157-R172 HydrophobicContact CD1-CB 3.59Å; L157-R172 HydrophobicContact CD2-CB 4.07Å; L157-R172 HydrophobicContact CG-CB 4.49Å
158G93.1Very high94.4Very high31 Ų3151.9 Ų51.932%0.3229%0.287SS..PPolyproline II helixtrans-74.8165.316300000111.5W160 R172G158-W160 PolarHBondContact O-N 3.17Å; G158-R172 PolarHBondContact O-NH1 3.5Å; G158-R172 PolarHBondContact O-NH2 3.38Å
159V94.6Very high94.3Very high57 Ų5753.3 Ų53.335%0.34529%0.294SS..PPolyproline II helixtrans-56.1134.6173.5-178.80000110.3Q167V159-Q167 HydrophobicContact CG1-CG 4.31Å
160W95.2Very high94.3Very high54 Ų5457.2 Ų57.221%0.20531%0.313CS..  trans-147.7134.4170.9-178.487.4000107.5G158 N162 Q167 I168 N251 R253G158-W160 PolarHBondContact O-N 3.17Å; W160-N162 HydrophobicContact CH2-CB 3.99Å; W160-N162 HydrophobicContact CZ3-CB 3.87Å; W160-Q167 WeakPolarHBondContact O-CA 3.15Å; W160-I168 HydrophobicContact CE3-CB 3.78Å; W160-I168 HydrophobicContact CE3-CG1 4.08Å; W160-I168 HydrophobicContact CZ3-CB 3.78Å; W160-I168 HydrophobicContact CZ3-CG1 3.69Å; W160-I168 HydrophobicContact CZ3-CG2 4.46Å; W160-I168 PolarHBondContact O-N 3.48Å; W160-N251 PolarHBondContact NE1-O 3.46Å; W160-R253 HydrophobicContact CD2-CB 4.3Å; W160-R253 HydrophobicContact CD2-CG 4.22Å; W160-R253 HydrophobicContact CH2-CG 4.42Å; W160-R253 HydrophobicContact CZ2-CB 4.15Å; W160-R253 HydrophobicContact CZ2-CG 4.08Å
161E94.7Very high94.3Very high100 Ų10057.7 Ų57.747%0.46732%0.319SS..BIsolated β-bridgetrans-113.9141.9-179.4-69.6171.7-179.100109.1E166 Q167E161-E166 VanDerWaalsContact CA-O 3.25Å; E161-E166 WeakPolarHBondContact CA-O 3.33Å; E161-Q167 HydrophobicContact CG-CG 3.92Å
162N92.2Very high94.3Very high37 Ų3756.2 Ų56.220%0.19831%0.311CS..  trans-76.1-178.7170.769.69.1000110.8W160 N164 G165 E166 I168W160-N162 HydrophobicContact CH2-CB 3.99Å; W160-N162 HydrophobicContact CZ3-CB 3.87Å; N162-N164 PolarHBondContact O-N 2.91Å; N162-N164 WeakPolarHBondContact OD1-CA 3.39Å; N162-N164 WeakPolarHBondContact OD1-CB 3.36Å; N162-N164 PolarHBondContact OD1-N 2.75Å; N162-G165 PolarHBondContact O-N 2.86Å; N162-G165 PolarHBondContact OD1-N 2.7Å; N162-E166 PolarHBondContact N-O 3.34Å; N162-E166 PolarHBondContact ND2-OE2 2.62Å; N162-E166 WeakPolarHBondContact OD1-CB 3.25Å; N162-E166 PolarHBondContact OD1-N 3.06Å; N162-I168 HydrophobicContact CB-CG1 4.09Å
163E90.9Very high94.6Very high201 Ų20156 Ų5694%0.93930%0.301SS*.THydrogen-bonded Turntrans-59.3-20.2179.5-60.3174.2-167.400113.7
164N93.6Very high94.9Very high130 Ų13057.7 Ų57.770%0.69531%0.309SS*.THydrogen-bonded Turntrans-91.61.5177.6-58.9-31.9000113.2N162 E166N162-N164 PolarHBondContact O-N 2.91Å; N162-N164 WeakPolarHBondContact OD1-CA 3.39Å; N162-N164 WeakPolarHBondContact OD1-CB 3.36Å; N162-N164 PolarHBondContact OD1-N 2.75Å; N164-E166 VanDerWaalsContact C-N 3.33Å; N164-E166 HydrophobicContact CB-CG 4.13Å
165G92.7Very high95Very high44 Ų4458.4 Ų58.445%0.45431%0.313SS..SBendtrans77.414.8-175.500000114.2N162N162-G165 PolarHBondContact O-N 2.86Å; N162-G165 PolarHBondContact OD1-N 2.7Å
166E93.9Very high94.9Very high108 Ų10858.4 Ų58.451%0.50532%0.315SS..  trans-88.5130.7179.9-56.8170.9142.300110.5E161 N162 N164 I168E161-E166 VanDerWaalsContact CA-O 3.25Å; E161-E166 WeakPolarHBondContact CA-O 3.33Å; N162-E166 PolarHBondContact N-O 3.34Å; N162-E166 PolarHBondContact ND2-OE2 2.62Å; N162-E166 WeakPolarHBondContact OD1-CB 3.25Å; N162-E166 PolarHBondContact OD1-N 3.06Å; N164-E166 VanDerWaalsContact C-N 3.33Å; N164-E166 HydrophobicContact CB-CG 4.13Å; E166-I168 HydrophobicContact CB-CD1 4.3Å; E166-I168 PolarHBondContact O-N 3.2Å
167Q95Very high94.9Very high89 Ų8960.5 Ų60.542%0.41633%0.328SS..BIsolated β-bridgetrans-70.2118.7175.9-66.5-174.20.700110.8S146 V159 W160 E161S146-Q167 VanDerWaalsContact CB-OE1 3.28Å; V159-Q167 HydrophobicContact CG1-CG 4.31Å; W160-Q167 WeakPolarHBondContact O-CA 3.15Å; E161-Q167 HydrophobicContact CG-CG 3.92Å
168I95.5Very high95Very high48 Ų4862.4 Ų62.425%0.24634%0.338CS..  trans-106.2131.6178.8-52-56.1000110.2W160 N162 E166 D170 R172W160-I168 HydrophobicContact CE3-CB 3.78Å; W160-I168 HydrophobicContact CE3-CG1 4.08Å; W160-I168 HydrophobicContact CZ3-CB 3.78Å; W160-I168 HydrophobicContact CZ3-CG1 3.69Å; W160-I168 HydrophobicContact CZ3-CG2 4.46Å; W160-I168 PolarHBondContact O-N 3.48Å; N162-I168 HydrophobicContact CB-CG1 4.09Å; E166-I168 HydrophobicContact CB-CD1 4.3Å; E166-I168 PolarHBondContact O-N 3.2Å; I168-D170 WeakPolarHBondContact CG2-O 3.43Å; I168-R172 HydrophobicContact CG2-CG 4.44Å; I168-R172 WeakPolarHBondContact O-CD 3.29Å; I168-R172 PolarHBondContact O-NH1 3.37Å
169H94.7Very high95.2Very high40 Ų4062.4 Ų62.419%0.18533%0.332CS..  trans-120-52.5174.6-57.3-44.8000110.7S146 F147 K148 R172S146-H169 PolarHBondContact OG-CE1 3.18Å; F147-H169 PolarHBondContact O-CD2 3.11Å; F147-H169 PolarHBondContact O-NE2 2.61Å; K148-H169 HydrophobicContact CB-CB 4.09Å; H169-R172 WeakPolarHBondContact O-CB 3.46Å; H169-R172 PolarHBondContact O-N 2.89Å
170D94.7Very high95.4Very high140 Ų14060.3 Ų60.375%0.74932%0.319SS*.THydrogen-bonded Turntrans-65.2140.5179.8-63.1-29.5000111.3I168 R172I168-D170 WeakPolarHBondContact CG2-O 3.43Å; D170-R172 VanDerWaalsContact C-N 3.26Å; D170-R172 PolarHBondContact O-N 3.41Å
171G95.3Very high95.5Very high17 Ų1758.8 Ų58.818%0.17532%0.315CS..THydrogen-bonded Turntrans80.3-4.4-176.800000115.5A234 C235 R253G171-A234 WeakPolarHBondContact CA-O 3.36Å; G171-C235 VanDerWaalsContact CA-C 3.41Å; G171-C235 CarbonylContact O-C 3.39Å; G171-C235 WeakPolarHBondContact O-CA 3.49Å; G171-R253 PolarHBondContact O-NH2 3.31Å
172R96.9Very high95.7Very high19 Ų1954 Ų547%0.07229%0.293CS..  trans-86159.9171.3-66.1172.462.3-157.8-0.6111.2L157 G158 I168 H169 D170 G252 R253L157-R172 HydrophobicContact CD1-CB 3.59Å; L157-R172 HydrophobicContact CD2-CB 4.07Å; L157-R172 HydrophobicContact CG-CB 4.49Å; G158-R172 PolarHBondContact O-NH1 3.5Å; G158-R172 PolarHBondContact O-NH2 3.38Å; I168-R172 HydrophobicContact CG2-CG 4.44Å; I168-R172 WeakPolarHBondContact O-CD 3.29Å; I168-R172 PolarHBondContact O-NH1 3.37Å; H169-R172 WeakPolarHBondContact O-CB 3.46Å; H169-R172 PolarHBondContact O-N 2.89Å; D170-R172 VanDerWaalsContact C-N 3.26Å; D170-R172 PolarHBondContact O-N 3.41Å; R172-G252 PolarHBondContact NH2-O 3.32Å; R172-R253 HydrophobicContact CG-CG 4.13Å; R172-R253 PolarHBondContact NE-O 2.76Å; R172-R253 PolarHBondContact NH2-O 3.07Å
173N96.9Very high96Very high31 Ų3152.2 Ų52.217%0.16628%0.283CS..  trans-143.9175.5-171.266.8-45.7000112.9F249 A254 S255N173-F249 VanDerWaalsContact ND2-CE1 3.27Å; N173-F249 WeakPolarHBondContact ND2-CE1 3.34Å; N173-A254 WeakPolarHBondContact O-CA 3.4Å; N173-S255 PolarHBondContact O-N 3.03Å
174N97.3Very high96.4Very high44 Ų4444.6 Ų44.624%0.23525%0.246CC..EExtended strand (participates in β ladder)trans-114.5139.4172.4-178.8-93.5000110.4M151 G176 S255 S257M151-N174 HydrophobicContact CE-CB 3.85Å; N174-G176 WeakPolarHBondContact OD1-CA 3.1Å; N174-G176 PolarHBondContact OD1-N 3.48Å; N174-G176 PolarHBondContact OD1-O 3.25Å; N174-S255 CarbonylContact C-O 3.6Å; N174-S255 VanDerWaalsContact CA-O 3.26Å; N174-S255 WeakPolarHBondContact CA-O 3.45Å; N174-S255 PolarHBondContact ND2-O 3.19Å; N174-S255 PolarHBondContact ND2-OG 3.46Å; N174-S257 PolarHBondContact ND2-OG 3.07Å
175L96.6Very high96.6Very high18 Ų1838.6 Ų38.69%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-87.6-6.8-176.5-57.3-178.8000114.1I215 L218 F249 A254 S255 I256 Y306L175-I215 HydrophobicContact CD1-CD1 4.47Å; L175-I215 HydrophobicContact CD1-CG1 3.92Å; L175-L218 HydrophobicContact CD2-CD1 3.9Å; L175-F249 HydrophobicContact CD1-CB 4.11Å; L175-F249 HydrophobicContact CD2-CB 4.05Å; L175-F249 HydrophobicContact CD2-CD1 3.9Å; L175-F249 HydrophobicContact CD2-CD2 3.77Å; L175-F249 HydrophobicContact CD2-CE1 4.3Å; L175-F249 HydrophobicContact CD2-CE2 4.18Å; L175-F249 HydrophobicContact CD2-CG 3.63Å; L175-F249 HydrophobicContact CD2-CZ 4.43Å; L175-A254 HydrophobicContact CD1-CB 4.14Å; L175-A254 HydrophobicContact CD2-CB 3.86Å; L175-A254 HydrophobicContact CG-CB 3.8Å; L175-S255 PolarHBondContact N-O 2.91Å; L175-I256 HydrophobicContact CB-CB 4.39Å; L175-I256 HydrophobicContact CB-CD1 4.36Å; L175-I256 HydrophobicContact CB-CG1 4.47Å; L175-Y306 HydrophobicContact CD1-CD1 4.38Å
176G95.9Very high96.9Very high10 Ų1036.5 Ų36.510%0.10319%0.192CC..EExtended strand (participates in β ladder)trans132.9175.9176.500000113.5N174 S257N174-G176 WeakPolarHBondContact OD1-CA 3.1Å; N174-G176 PolarHBondContact OD1-N 3.48Å; N174-G176 PolarHBondContact OD1-O 3.25Å; G176-S257 PolarHBondContact O-N 3.11Å
177V96.8Very high97.1Very high45 Ų4532.2 Ų32.227%0.27317%0.173SC..EExtended strand (participates in β ladder)trans-125.7139.5-174.6-170.20000109.4R214 S257 Y311V177-R214 PolarHBondContact O-NH1 3.05Å; V177-S257 WeakPolarHBondContact CA-O 3.14Å; V177-Y311 HydrophobicContact CG1-CD1 3.73Å; V177-Y311 HydrophobicContact CG1-CE1 4.15Å; V177-Y311 HydrophobicContact CG2-CD1 4.19Å; V177-Y311 HydrophobicContact CG2-CE1 4.1Å
178I97.9Very high97.3Very high48 Ų4830.2 Ų30.225%0.24616%0.163CC..EExtended strand (participates in β ladder)trans-125.2120.8161.9-66.7-67000106.9A207 A210 L211 S257 G259I178-A207 HydrophobicContact CG2-CB 4.23Å; I178-A210 HydrophobicContact CD1-CB 4.05Å; I178-A210 HydrophobicContact CG1-CB 3.98Å; I178-A210 HydrophobicContact CG2-CB 4.37Å; I178-L211 HydrophobicContact CB-CD2 3.7Å; I178-L211 HydrophobicContact CB-CG 3.92Å; I178-L211 HydrophobicContact CG1-CD2 3.46Å; I178-L211 VanDerWaalsContact CG1-CD2 3.46Å; I178-L211 HydrophobicContact CG1-CG 3.8Å; I178-S257 PolarHBondContact N-O 2.87Å; I178-S257 VanDerWaalsContact N-O 3.15Å; I178-G259 PolarHBondContact O-N 3.34Å
179S98Very high97.4Very high30 Ų3028.1 Ų28.121%0.2115%0.153CC..EExtended strand (participates in β ladder)trans-102.4131.4-175.7-59.40000112.3G259 T313S179-G259 CarbonylContact C-O 3.27Å; S179-G259 VanDerWaalsContact CA-O 3.3Å; S179-G259 WeakPolarHBondContact CA-O 3.46Å; S179-T313 WeakPolarHBondContact OG-CG2 3.4Å; S179-T313 PolarHBondContact OG-OG1 3.38Å
180L98.5Very high97.5Very high14 Ų1435.1 Ų35.17%0.07318%0.183CC..EExtended strand (participates in β ladder)trans-79.2133.3170.6-70.6173.6000110.7L182 L200 R203 L204 A207 L258 G259 I261 L293L180-L182 HydrophobicContact CB-CD2 4.17Å; L180-L182 PolarHBondContact O-N 3.26Å; L180-L200 HydrophobicContact CD1-CD1 4.39Å; L180-R203 HydrophobicContact CD2-CB 3.94Å; L180-L204 HydrophobicContact CD1-CD2 3.94Å; L180-L204 HydrophobicContact CD1-CG 4.42Å; L180-A207 HydrophobicContact CD2-CB 4.12Å; L180-L258 HydrophobicContact CD1-CD1 4.11Å; L180-L258 HydrophobicContact CD1-CD2 4.41Å; L180-L258 HydrophobicContact CG-CD1 4.12Å; L180-G259 PolarHBondContact N-O 3.17Å; L180-I261 PolarHBondContact O-N 2.71Å; L180-L293 HydrophobicContact CD1-CD2 3.63Å
181N98.5Very high97.6Very high21 Ų2130.3 Ų30.311%0.11217%0.166CC..EExtended strand (participates in β ladder)trans-85.893.3167.2-174.4-9.3000107.7P183 R184 I185 F322 D326 Y342N181-P183 WeakPolarHBondContact OD1-CD 3.39Å; N181-R184 HydrophobicContact CB-CB 3.85Å; N181-R184 WeakPolarHBondContact ND2-CB 3.49Å; N181-R184 WeakPolarHBondContact O-CB 3.42Å; N181-R184 PolarHBondContact OD1-N 2.78Å; N181-I185 WeakPolarHBondContact O-CG1 3.22Å; N181-F322 HydrophobicContact CB-CD1 4.25Å; N181-F322 HydrophobicContact CB-CD2 3.64Å; N181-F322 HydrophobicContact CB-CE1 4.17Å; N181-F322 HydrophobicContact CB-CE2 3.57Å; N181-F322 HydrophobicContact CB-CG 4Å; N181-F322 HydrophobicContact CB-CZ 3.84Å; N181-F322 WeakPolarHBondContact ND2-CG 3.15Å; N181-D326 PolarHBondContact ND2-OD2 2.89Å; N181-Y342 WeakPolarHBondContact OD1-CE2 3.48Å
182L98.8Very high97.7Very high0 Ų033.1 Ų33.10%018%0.177CC..Hα-helixtrans-68.7-41.1-178.1-58.3175.9000112.8L180 R184 I185 A186 L200 Y260 I261 I263 T266 I289 L293L180-L182 HydrophobicContact CB-CD2 4.17Å; L180-L182 PolarHBondContact O-N 3.26Å; L182-R184 VanDerWaalsContact C-N 3.26Å; L182-R184 PolarHBondContact O-N 3.39Å; L182-I185 HydrophobicContact CD2-CD1 4.36Å; L182-I185 WeakPolarHBondContact O-CB 3.35Å; L182-I185 PolarHBondContact O-N 2.91Å; L182-A186 PolarHBondContact O-N 2.82Å; L182-A186 VanDerWaalsContact O-N 3.16Å; L182-L200 HydrophobicContact CD2-CD1 3.92Å; L182-Y260 HydrophobicContact CD1-CD2 3.79Å; L182-Y260 HydrophobicContact CD1-CG 4.32Å; L182-I261 WeakPolarHBondContact CB-O 3.5Å; L182-I263 HydrophobicContact CD1-CD1 3.5Å; L182-I263 HydrophobicContact CD1-CG1 4.27Å; L182-T266 HydrophobicContact CB-CG2 4.16Å; L182-T266 WeakPolarHBondContact CB-OG1 3.46Å; L182-I289 HydrophobicContact CD1-CG2 4.05Å; L182-I289 HydrophobicContact CD2-CG2 4.41Å; L182-L293 HydrophobicContact CD1-CD1 4.36Å; L182-L293 HydrophobicContact CD2-CD1 4.36Å
183P98.6Very high97.7Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-55.8-40.8175.4-30.637.8000113N181 I185 A186 L187 I261 G262 E265 T266 V336 Y342N181-P183 WeakPolarHBondContact OD1-CD 3.39Å; P183-I185 VanDerWaalsContact C-N 3.31Å; P183-I185 PolarHBondContact O-N 3.39Å; P183-A186 PolarHBondContact O-N 2.98Å; P183-L187 WeakPolarHBondContact O-CG 3.36Å; P183-L187 PolarHBondContact O-N 2.72Å; P183-I261 WeakPolarHBondContact CD-O 3.26Å; P183-G262 WeakPolarHBondContact CG-O 3.19Å; P183-E265 HydrophobicContact CB-CB 4.13Å; P183-E265 HydrophobicContact CG-CB 3.81Å; P183-T266 WeakPolarHBondContact CD-OG1 3.22Å; P183-T266 VanDerWaalsContact N-OG1 3.16Å; P183-V336 HydrophobicContact CB-CG1 4.44Å; P183-Y342 HydrophobicContact CB-CD1 4.4Å; P183-Y342 HydrophobicContact CB-CD2 4.24Å; P183-Y342 HydrophobicContact CB-CE1 3.89Å; P183-Y342 HydrophobicContact CB-CE2 3.71Å; P183-Y342 HydrophobicContact CG-CD1 4.15Å; P183-Y342 HydrophobicContact CG-CD2 3.81Å; P183-Y342 HydrophobicContact CG-CE1 4.14Å; P183-Y342 HydrophobicContact CG-CE2 3.79Å; P183-Y342 HydrophobicContact CG-CG 3.98Å
184R98.6Very high97.8Very high41 Ų4136.7 Ų36.716%0.15521%0.205CC..Hα-helixtrans-53-47.7173.5176.276.6-169.6-154.9-5.5113N181 L182 A186 L187 E188 D326 E329 F330N181-R184 HydrophobicContact CB-CB 3.85Å; N181-R184 WeakPolarHBondContact ND2-CB 3.49Å; N181-R184 WeakPolarHBondContact O-CB 3.42Å; N181-R184 PolarHBondContact OD1-N 2.78Å; L182-R184 VanDerWaalsContact C-N 3.26Å; L182-R184 PolarHBondContact O-N 3.39Å; R184-A186 VanDerWaalsContact C-N 3.29Å; R184-A186 PolarHBondContact O-N 3.31Å; R184-L187 PolarHBondContact O-N 3.33Å; R184-E188 IonicContact CZ-OE1 3.26Å; R184-E188 IonicContact NE-OE1 2.96Å; R184-E188 PolarHBondContact NE-OE1 2.87Å; R184-E188 IonicContact NH2-OE1 2.76Å; R184-E188 PolarHBondContact NH2-OE1 2.89Å; R184-E188 WeakPolarHBondContact O-CG 3.48Å; R184-E188 PolarHBondContact O-N 3.16Å; R184-D326 WeakPolarHBondContact CD-OD1 3.34Å; R184-D326 IonicContact CZ-OD1 3.66Å; R184-D326 IonicContact NE-OD1 3.94Å; R184-D326 IonicContact NH1-OD1 3.79Å; R184-D326 PolarHBondContact NH1-OD1 3.35Å; R184-E329 VanDerWaalsContact CZ-CD 3.46Å; R184-E329 IonicContact CZ-OE1 3.18Å; R184-E329 IonicContact CZ-OE2 2.71Å; R184-E329 VanDerWaalsContact NH1-CD 3.3Å; R184-E329 IonicContact NH1-OE1 3.93Å; R184-E329 IonicContact NH1-OE2 3.46Å; R184-E329 PolarHBondContact NH1-OE2 2.87Å; R184-E329 IonicContact NH2-OE1 2.94Å; R184-E329 PolarHBondContact NH2-OE1 3.4Å; R184-E329 IonicContact NH2-OE2 3.85Å; R184-E329 PolarHBondContact NH2-OE2 3.15Å; R184-F330 VanDerWaalsContact CZ-CE2 3.45Å
185I98.7Very high97.9Very high3 Ų337.2 Ų37.22%0.01521%0.211CC..Hα-helixtrans-64.9-39.2-177.1-58.5170.7000109.6N181 L182 P183 E188 A189 F196 L199 L200 R203N181-I185 WeakPolarHBondContact O-CG1 3.22Å; L182-I185 HydrophobicContact CD2-CD1 4.36Å; L182-I185 WeakPolarHBondContact O-CB 3.35Å; L182-I185 PolarHBondContact O-N 2.91Å; P183-I185 VanDerWaalsContact C-N 3.31Å; P183-I185 PolarHBondContact O-N 3.39Å; I185-E188 PolarHBondContact O-N 3.23Å; I185-A189 WeakPolarHBondContact O-CB 3.3Å; I185-A189 PolarHBondContact O-N 3.21Å; I185-F196 HydrophobicContact CB-CD2 4.28Å; I185-F196 HydrophobicContact CB-CE2 4.04Å; I185-F196 HydrophobicContact CG2-CD2 3.71Å; I185-F196 HydrophobicContact CG2-CE2 3.79Å; I185-L199 HydrophobicContact CG2-CB 3.68Å; I185-L200 HydrophobicContact CD1-CD1 3.76Å; I185-L200 HydrophobicContact CG2-CB 4.43Å; I185-R203 HydrophobicContact CD1-CB 4.04Å; I185-R203 HydrophobicContact CD1-CG 3.81Å; I185-R203 HydrophobicContact CG1-CG 4Å
186A98.7Very high98Very high0 Ų036.4 Ų36.40%021%0.206CC..Hα-helixtrans-67.1-41.7174.700000113.3L182 P183 R184 E188 A189 K190 F196 T266 A269 L270L182-A186 PolarHBondContact O-N 2.82Å; L182-A186 VanDerWaalsContact O-N 3.16Å; P183-A186 PolarHBondContact O-N 2.98Å; R184-A186 VanDerWaalsContact C-N 3.29Å; R184-A186 PolarHBondContact O-N 3.31Å; A186-E188 VanDerWaalsContact C-N 3.33Å; A186-E188 PolarHBondContact O-N 2.78Å; A186-A189 WeakPolarHBondContact O-CB 3.33Å; A186-A189 PolarHBondContact O-N 3.48Å; A186-A189 VanDerWaalsContact O-N 3.14Å; A186-K190 PolarHBondContact O-N 3.49Å; A186-F196 HydrophobicContact CB-CD2 4.16Å; A186-F196 HydrophobicContact CB-CE2 4.26Å; A186-T266 HydrophobicContact CB-CG2 3.86Å; A186-A269 HydrophobicContact CB-CB 3.65Å; A186-L270 HydrophobicContact CB-CD1 4.38Å; A186-L270 HydrophobicContact CB-CD2 3.82Å; A186-L270 HydrophobicContact CB-CG 3.67Å
187L98.4Very high98.1Very high19 Ų1938.9 Ų38.910%0.09921%0.212CC..Hα-helixtrans-61-42.1174.9-72.4170.4000111.6P183 R184 A189 K190 A269 D326 F330 V333 V336 T337P183-L187 WeakPolarHBondContact O-CG 3.36Å; P183-L187 PolarHBondContact O-N 2.72Å; R184-L187 PolarHBondContact O-N 3.33Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.48Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-A269 HydrophobicContact CD2-CB 4.29Å; L187-A269 HydrophobicContact CG-CB 4.45Å; L187-D326 HydrophobicContact CD1-CB 4.16Å; L187-F330 HydrophobicContact CB-CD1 4.28Å; L187-F330 HydrophobicContact CB-CD2 4.09Å; L187-F330 HydrophobicContact CB-CE1 4.26Å; L187-F330 HydrophobicContact CB-CE2 4.06Å; L187-F330 HydrophobicContact CB-CG 4.2Å; L187-F330 HydrophobicContact CB-CZ 4.16Å; L187-F330 HydrophobicContact CD1-CB 4.46Å; L187-F330 HydrophobicContact CD1-CD2 3.77Å; L187-F330 HydrophobicContact CD1-CE2 4.28Å; L187-F330 HydrophobicContact CD1-CG 4.2Å; L187-V333 HydrophobicContact CD2-CB 4.39Å; L187-V333 HydrophobicContact CD2-CG1 4.14Å; L187-V333 HydrophobicContact CD2-CG2 4.01Å; L187-V336 HydrophobicContact CD1-CG1 4.15Å; L187-V336 HydrophobicContact CD2-CG1 4.18Å; L187-V336 HydrophobicContact CG-CG1 4.29Å; L187-T337 HydrophobicContact CD1-CG2 4.36Å
188E98.4Very high98.2Very high46 Ų4643.1 Ų43.122%0.21523%0.227CC..Hα-helixtrans-64.1-33174.7-72.7175.417600112.3R184 I185 A186 K190 L199 R203 F330R184-E188 IonicContact CZ-OE1 3.26Å; R184-E188 IonicContact NE-OE1 2.96Å; R184-E188 PolarHBondContact NE-OE1 2.87Å; R184-E188 IonicContact NH2-OE1 2.76Å; R184-E188 PolarHBondContact NH2-OE1 2.89Å; R184-E188 WeakPolarHBondContact O-CG 3.48Å; R184-E188 PolarHBondContact O-N 3.16Å; I185-E188 PolarHBondContact O-N 3.23Å; A186-E188 VanDerWaalsContact C-N 3.33Å; A186-E188 PolarHBondContact O-N 2.78Å; E188-K190 VanDerWaalsContact C-N 3.33Å; E188-L199 HydrophobicContact CB-CD1 3.82Å; E188-R203 VanDerWaalsContact CD-NH2 3.31Å; E188-R203 IonicContact OE1-NH2 2.84Å; E188-R203 PolarHBondContact OE1-NH2 3.26Å; E188-R203 IonicContact OE2-CZ 3.96Å; E188-R203 IonicContact OE2-NE 3.8Å; E188-R203 IonicContact OE2-NH2 3.07Å; E188-R203 PolarHBondContact OE2-NH2 3.49Å; E188-F330 HydrophobicContact CG-CE1 4.47Å; E188-F330 HydrophobicContact CG-CZ 3.8Å
189A98.3Very high98.2Very high5 Ų542.2 Ų42.24%0.04122%0.223CC..Hα-helixtrans-76.3-15.2178.500000114.3I185 A186 L187 G191 D192 T195 F196 L199 L270I185-A189 WeakPolarHBondContact O-CB 3.3Å; I185-A189 PolarHBondContact O-N 3.21Å; A186-A189 WeakPolarHBondContact O-CB 3.33Å; A186-A189 PolarHBondContact O-N 3.48Å; A186-A189 VanDerWaalsContact O-N 3.14Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.48Å; A189-G191 VanDerWaalsContact C-N 3.28Å; A189-G191 PolarHBondContact O-N 3.33Å; A189-D192 PolarHBondContact O-N 2.85Å; A189-T195 HydrophobicContact CB-CG2 4.18Å; A189-F196 HydrophobicContact CB-CB 3.74Å; A189-L199 HydrophobicContact CB-CD1 4.31Å; A189-L270 HydrophobicContact CB-CD2 4.22Å
190K96.3Very high98.3Very high187 Ų18740.8 Ų40.881%0.81321%0.213SC*.THydrogen-bonded Turntrans51.441.7175.6-58.1-179.2-179.3-179.10114A186 L187 E188 D192A186-K190 PolarHBondContact O-N 3.49Å; L187-K190 PolarHBondContact O-N 2.95Å; E188-K190 VanDerWaalsContact C-N 3.33Å; K190-D192 VanDerWaalsContact C-N 3.32Å; K190-D192 PolarHBondContact O-N 3.03Å
191G95.9Very high98.3Very high38 Ų3842.7 Ų42.739%0.39222%0.223SC..THydrogen-bonded Turntrans81.30179.500000115.6A189 L270A189-G191 VanDerWaalsContact C-N 3.28Å; A189-G191 PolarHBondContact O-N 3.33Å; G191-L270 WeakPolarHBondContact CA-O 3.46Å
192D97.8Very high98.3Very high76 Ų7646.4 Ų46.441%0.40624%0.24SC..  trans-88.6109.1174.4-178.357000111.6A189 K190 A194 T195 F196A189-D192 PolarHBondContact O-N 2.85Å; K190-D192 VanDerWaalsContact C-N 3.32Å; K190-D192 PolarHBondContact O-N 3.03Å; D192-A194 VanDerWaalsContact C-N 3.32Å; D192-A194 PolarHBondContact O-N 3.47Å; D192-T195 PolarHBondContact O-N 3.3Å; D192-T195 WeakPolarHBondContact OD2-CA 3.45Å; D192-T195 WeakPolarHBondContact OD2-CB 2.99Å; D192-T195 PolarHBondContact OD2-N 3.45Å; D192-T195 PolarHBondContact OD2-OG1 2.72Å; D192-F196 PolarHBondContact O-N 3.27Å
193E97.6Very high98.3Very high57 Ų5750.7 Ų50.727%0.26626%0.256SS..Hα-helixtrans-62.1-38-177-176.1174.2179.100112.3F196 W197 F271 K285E193-F196 WeakPolarHBondContact O-CB 3.25Å; E193-F196 PolarHBondContact O-N 3.22Å; E193-W197 VanDerWaalsContact CG-NE1 3.33Å; E193-W197 PolarHBondContact O-N 3.12Å; E193-W197 PolarHBondContact OE1-NE1 3.48Å; E193-W197 VanDerWaalsContact OE1-NE1 3.13Å; E193-F271 HydrophobicContact CG-CZ 4.47Å; E193-K285 IonicContact OE1-NZ 3.88Å; E193-K285 PolarHBondContact OE1-NZ 3.33Å; E193-K285 IonicContact OE2-NZ 2.92Å; E193-K285 PolarHBondContact OE2-NZ 3.47Å
194A98.3Very high98.3Very high68 Ų6851 Ų5156%0.56226%0.258SS*.Hα-helixtrans-64.7-42.7179.100000111.7D192 F196 W197 K198D192-A194 VanDerWaalsContact C-N 3.32Å; D192-A194 PolarHBondContact O-N 3.47Å; A194-F196 VanDerWaalsContact C-N 3.35Å; A194-W197 PolarHBondContact O-N 3.23Å; A194-K198 PolarHBondContact O-N 3.4Å; A194-K198 VanDerWaalsContact O-N 3.17Å
195T98.5Very high98.3Very high56 Ų5654.2 Ų54.234%0.34428%0.281SS..Hα-helixtrans-63.6-40.6173.7-63.40000111.2A189 D192 W197 K198 L199A189-T195 HydrophobicContact CB-CG2 4.18Å; D192-T195 PolarHBondContact O-N 3.3Å; D192-T195 WeakPolarHBondContact OD2-CA 3.45Å; D192-T195 WeakPolarHBondContact OD2-CB 2.99Å; D192-T195 PolarHBondContact OD2-N 3.45Å; D192-T195 PolarHBondContact OD2-OG1 2.72Å; T195-W197 PolarHBondContact O-N 3.39Å; T195-K198 PolarHBondContact O-N 2.83Å; T195-L199 HydrophobicContact CG2-CD1 3.83Å; T195-L199 HydrophobicContact CG2-CG 4.13Å; T195-L199 WeakPolarHBondContact O-CB 3.39Å; T195-L199 WeakPolarHBondContact O-CG 3.39Å; T195-L199 PolarHBondContact O-N 3.47Å
196F98.8Very high98.2Very high1 Ų158.8 Ų58.80%0.00431%0.305CS..Hα-helixtrans-57.2-50.1175.8171-96000112.2I185 A186 A189 D192 E193 A194 K198 L199 L200 T266 L270 I289I185-F196 HydrophobicContact CB-CD2 4.28Å; I185-F196 HydrophobicContact CB-CE2 4.04Å; I185-F196 HydrophobicContact CG2-CD2 3.71Å; I185-F196 HydrophobicContact CG2-CE2 3.79Å; A186-F196 HydrophobicContact CB-CD2 4.16Å; A186-F196 HydrophobicContact CB-CE2 4.26Å; A189-F196 HydrophobicContact CB-CB 3.74Å; D192-F196 PolarHBondContact O-N 3.27Å; E193-F196 WeakPolarHBondContact O-CB 3.25Å; E193-F196 PolarHBondContact O-N 3.22Å; A194-F196 VanDerWaalsContact C-N 3.35Å; F196-K198 VanDerWaalsContact C-N 3.32Å; F196-K198 PolarHBondContact O-N 3.1Å; F196-L199 PolarHBondContact O-N 2.84Å; F196-L200 HydrophobicContact CE1-CD2 4.18Å; F196-L200 HydrophobicContact CZ-CD2 4.32Å; F196-L200 WeakPolarHBondContact O-CB 3.39Å; F196-L200 PolarHBondContact O-N 2.91Å; F196-T266 HydrophobicContact CE2-CG2 3.69Å; F196-T266 HydrophobicContact CZ-CG2 3.86Å; F196-L270 HydrophobicContact CB-CD1 4.35Å; F196-L270 HydrophobicContact CB-CD2 3.72Å; F196-L270 HydrophobicContact CD1-CD1 3.95Å; F196-L270 HydrophobicContact CD2-CD1 3.9Å; F196-L270 HydrophobicContact CD2-CD2 3.96Å; F196-L270 HydrophobicContact CD2-CG 4.37Å; F196-L270 HydrophobicContact CE1-CD1 4.23Å; F196-L270 HydrophobicContact CE2-CD1 4.16Å; F196-L270 HydrophobicContact CG-CD1 3.78Å; F196-L270 HydrophobicContact CG-CD2 3.91Å; F196-L270 HydrophobicContact CG-CG 4.45Å; F196-L270 HydrophobicContact CZ-CD1 4.32Å; F196-I289 HydrophobicContact CE1-CD1 3.97Å; F196-I289 HydrophobicContact CE1-CG1 3.87Å; F196-I289 HydrophobicContact CZ-CD1 3.85Å; F196-I289 HydrophobicContact CZ-CG1 4.08Å; F196-I289 HydrophobicContact CZ-CG2 4.37Å
197W98.7Very high98.2Very high62 Ų6259.1 Ų59.124%0.23531%0.308CS..Hα-helixtrans-61.9-40.5179.9-70.7116.9000112.2E193 A194 T195 L200 D201 A288 I289 R292E193-W197 VanDerWaalsContact CG-NE1 3.33Å; E193-W197 PolarHBondContact O-N 3.12Å; E193-W197 PolarHBondContact OE1-NE1 3.48Å; E193-W197 VanDerWaalsContact OE1-NE1 3.13Å; A194-W197 PolarHBondContact O-N 3.23Å; T195-W197 PolarHBondContact O-N 3.39Å; W197-L200 HydrophobicContact CE3-CD2 3.9Å; W197-L200 HydrophobicContact CZ3-CD2 3.81Å; W197-L200 PolarHBondContact O-N 3.13Å; W197-D201 PolarHBondContact O-N 2.66Å; W197-D201 VanDerWaalsContact O-N 3.1Å; W197-A288 HydrophobicContact CH2-CB 4.23Å; W197-A288 HydrophobicContact CZ2-CB 4.47Å; W197-I289 HydrophobicContact CH2-CB 4.4Å; W197-I289 HydrophobicContact CH2-CG1 3.78Å; W197-I289 HydrophobicContact CZ2-CG1 4.39Å; W197-I289 HydrophobicContact CZ3-CG1 4.35Å; W197-R292 HydrophobicContact CE3-CG 4.23Å; W197-R292 HydrophobicContact CZ3-CB 3.73Å; W197-R292 HydrophobicContact CZ3-CG 3.92Å
198K98.7Very high98.2Very high133 Ų13361.5 Ų61.558%0.57832%0.315SS*.Hα-helixtrans-61.8-49.5175-177.8-174.9171.3-170.40111.7A194 T195 F196 L200 D201 E202A194-K198 PolarHBondContact O-N 3.4Å; A194-K198 VanDerWaalsContact O-N 3.17Å; T195-K198 PolarHBondContact O-N 2.83Å; F196-K198 VanDerWaalsContact C-N 3.32Å; F196-K198 PolarHBondContact O-N 3.1Å; K198-L200 VanDerWaalsContact C-N 3.32Å; K198-L200 PolarHBondContact O-N 2.87Å; K198-D201 PolarHBondContact O-N 3.33Å; K198-E202 WeakPolarHBondContact CE-OE1 3.2Å; K198-E202 WeakPolarHBondContact O-CG 3.27Å; K198-E202 PolarHBondContact O-N 3.25Å; K198-E202 VanDerWaalsContact O-N 3.07Å
199L98.7Very high98.2Very high30 Ų3066.4 Ų66.416%0.15734%0.336CS..Hα-helixtrans-63.2-39.2178.9-70.2174.5000111.3I185 E188 A189 T195 F196 D201 E202 R203I185-L199 HydrophobicContact CG2-CB 3.68Å; E188-L199 HydrophobicContact CB-CD1 3.82Å; A189-L199 HydrophobicContact CB-CD1 4.31Å; T195-L199 HydrophobicContact CG2-CD1 3.83Å; T195-L199 HydrophobicContact CG2-CG 4.13Å; T195-L199 WeakPolarHBondContact O-CB 3.39Å; T195-L199 WeakPolarHBondContact O-CG 3.39Å; T195-L199 PolarHBondContact O-N 3.47Å; F196-L199 PolarHBondContact O-N 2.84Å; L199-D201 PolarHBondContact O-N 2.94Å; L199-E202 PolarHBondContact O-N 2.9Å; L199-R203 VanDerWaalsContact O-CG 3.28Å; L199-R203 WeakPolarHBondContact O-CG 3.3Å; L199-R203 PolarHBondContact O-N 2.94Å
200L98.8Very high98.2Very high0 Ų067.8 Ų67.80%035%0.348CS..Hα-helixtrans-58.6-47.1176.2-177.463.1000111.5L180 L182 I185 F196 W197 K198 E202 R203 L204 I289 R292 L293L180-L200 HydrophobicContact CD1-CD1 4.39Å; L182-L200 HydrophobicContact CD2-CD1 3.92Å; I185-L200 HydrophobicContact CD1-CD1 3.76Å; I185-L200 HydrophobicContact CG2-CB 4.43Å; F196-L200 HydrophobicContact CE1-CD2 4.18Å; F196-L200 HydrophobicContact CZ-CD2 4.32Å; F196-L200 WeakPolarHBondContact O-CB 3.39Å; F196-L200 PolarHBondContact O-N 2.91Å; W197-L200 HydrophobicContact CE3-CD2 3.9Å; W197-L200 HydrophobicContact CZ3-CD2 3.81Å; W197-L200 PolarHBondContact O-N 3.13Å; K198-L200 VanDerWaalsContact C-N 3.32Å; K198-L200 PolarHBondContact O-N 2.87Å; L200-E202 VanDerWaalsContact C-N 3.34Å; L200-E202 PolarHBondContact O-N 2.86Å; L200-R203 PolarHBondContact O-N 2.94Å; L200-L204 HydrophobicContact CG-CD1 4.29Å; L200-L204 WeakPolarHBondContact O-CB 3.35Å; L200-L204 WeakPolarHBondContact O-CG 3.31Å; L200-L204 PolarHBondContact O-N 2.96Å; L200-I289 HydrophobicContact CD2-CG2 4.47Å; L200-R292 HydrophobicContact CD2-CB 4.47Å; L200-R292 HydrophobicContact CD2-CG 4.12Å; L200-L293 HydrophobicContact CD1-CD2 4.01Å
201D98.6Very high98.3Very high53 Ų5358.9 Ų58.928%0.28331%0.309SS..Hα-helixtrans-63-39.4177.3-73.1-18.9000111.9W197 K198 L199 L204 V205 R292W197-D201 PolarHBondContact O-N 2.66Å; W197-D201 VanDerWaalsContact O-N 3.1Å; K198-D201 PolarHBondContact O-N 3.33Å; L199-D201 PolarHBondContact O-N 2.94Å; D201-L204 WeakPolarHBondContact O-CB 3.38Å; D201-L204 PolarHBondContact O-N 2.98Å; D201-V205 PolarHBondContact O-N 3.47Å; D201-V205 VanDerWaalsContact O-N 3.17Å; D201-R292 VanDerWaalsContact CG-NH2 3.33Å; D201-R292 IonicContact OD1-CZ 2.82Å; D201-R292 IonicContact OD1-NE 3.45Å; D201-R292 PolarHBondContact OD1-NE 2.85Å; D201-R292 IonicContact OD1-NH2 3.53Å; D201-R292 PolarHBondContact OD1-NH2 3.32Å; D201-R292 IonicContact OD2-CZ 2.67Å; D201-R292 IonicContact OD2-NE 3.51Å; D201-R292 IonicContact OD2-NH2 3.94Å; D201-R292 PolarHBondContact OD2-NH2 3.1Å
202E98.6Very high98.4Very high100 Ų10059.9 Ų59.947%0.46730%0.304SS..Hα-helixtrans-62.5-44.1173.8-70.9175.7-170.700111.9K198 L199 L200 L204 V205 L206K198-E202 WeakPolarHBondContact CE-OE1 3.2Å; K198-E202 WeakPolarHBondContact O-CG 3.27Å; K198-E202 PolarHBondContact O-N 3.25Å; K198-E202 VanDerWaalsContact O-N 3.07Å; L199-E202 PolarHBondContact O-N 2.9Å; L200-E202 VanDerWaalsContact C-N 3.34Å; L200-E202 PolarHBondContact O-N 2.86Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 2.71Å; E202-V205 PolarHBondContact O-N 3.18Å; E202-L206 PolarHBondContact O-N 3.26Å
203R98.6Very high98.4Very high89 Ų8959.9 Ų59.934%0.33631%0.307SS..Hα-helixtrans-67.3-32.8176.7-63.7-56.8-176.5170.22.8112.2L180 I185 E188 L199 L200 L206 A207L180-R203 HydrophobicContact CD2-CB 3.94Å; I185-R203 HydrophobicContact CD1-CB 4.04Å; I185-R203 HydrophobicContact CD1-CG 3.81Å; I185-R203 HydrophobicContact CG1-CG 4Å; E188-R203 VanDerWaalsContact CD-NH2 3.31Å; E188-R203 IonicContact OE1-NH2 2.84Å; E188-R203 PolarHBondContact OE1-NH2 3.26Å; E188-R203 IonicContact OE2-CZ 3.96Å; E188-R203 IonicContact OE2-NE 3.8Å; E188-R203 IonicContact OE2-NH2 3.07Å; E188-R203 PolarHBondContact OE2-NH2 3.49Å; L199-R203 VanDerWaalsContact O-CG 3.28Å; L199-R203 WeakPolarHBondContact O-CG 3.3Å; L199-R203 PolarHBondContact O-N 2.94Å; L200-R203 PolarHBondContact O-N 2.94Å; R203-L206 PolarHBondContact O-N 2.75Å; R203-A207 WeakPolarHBondContact O-CB 3.45Å; R203-A207 PolarHBondContact O-N 2.95Å
204L98.7Very high98.2Very high8 Ų862.4 Ų62.44%0.04231%0.314CS..Hα-helixtrans-62.7-42.1174.2-81.2169.6000111.9L180 L200 D201 E202 L206 A207 R208 L258 L293 A296 W300L180-L204 HydrophobicContact CD1-CD2 3.94Å; L180-L204 HydrophobicContact CD1-CG 4.42Å; L200-L204 HydrophobicContact CG-CD1 4.29Å; L200-L204 WeakPolarHBondContact O-CB 3.35Å; L200-L204 WeakPolarHBondContact O-CG 3.31Å; L200-L204 PolarHBondContact O-N 2.96Å; D201-L204 WeakPolarHBondContact O-CB 3.38Å; D201-L204 PolarHBondContact O-N 2.98Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 2.71Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.04Å; L204-A207 PolarHBondContact O-N 3.03Å; L204-R208 WeakPolarHBondContact O-CB 3.41Å; L204-R208 PolarHBondContact O-N 3.22Å; L204-L258 HydrophobicContact CD2-CD2 3.59Å; L204-L293 HydrophobicContact CD1-CD2 4.39Å; L204-L293 HydrophobicContact CD2-CD2 3.8Å; L204-L293 HydrophobicContact CG-CD2 4.35Å; L204-A296 HydrophobicContact CD1-CB 3.9Å; L204-A296 HydrophobicContact CD2-CB 3.87Å; L204-A296 HydrophobicContact CG-CB 4.44Å; L204-W300 HydrophobicContact CB-CH2 4.49Å; L204-W300 HydrophobicContact CB-CZ2 4.12Å; L204-W300 HydrophobicContact CD2-CH2 3.76Å; L204-W300 HydrophobicContact CD2-CZ2 4.01Å; L204-W300 WeakPolarHBondContact O-CZ2 3.26Å
205V98.5Very high98.1Very high107 Ų10759.4 Ų59.465%0.64829%0.289SS*.Hα-helixtrans-60.2-44.1174.3174.50000111D201 E202 R208 K209D201-V205 PolarHBondContact O-N 3.47Å; D201-V205 VanDerWaalsContact O-N 3.17Å; E202-V205 PolarHBondContact O-N 3.18Å; V205-R208 PolarHBondContact O-N 3.42Å; V205-K209 PolarHBondContact O-N 2.74Å; V205-K209 VanDerWaalsContact O-N 3.08Å
206L98.4Very high97.9Very high100 Ų10059 Ų5952%0.52429%0.291SS..Hα-helixtrans-64.8-44.5176.9179.961000112.1E202 R203 L204 R208 K209 A210E202-L206 PolarHBondContact O-N 3.26Å; R203-L206 PolarHBondContact O-N 2.75Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.04Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 3.06Å; L206-K209 WeakPolarHBondContact O-CB 3.46Å; L206-K209 PolarHBondContact O-N 2.82Å; L206-A210 PolarHBondContact O-N 3.34Å
207A98.5Very high97.7Very high6 Ų668.7 Ų68.75%0.0533%0.327CS..Hα-helixtrans-61.2-43.2178.200000111.4I178 L180 R203 L204 K209 A210 L211 L258I178-A207 HydrophobicContact CG2-CB 4.23Å; L180-A207 HydrophobicContact CD2-CB 4.12Å; R203-A207 WeakPolarHBondContact O-CB 3.45Å; R203-A207 PolarHBondContact O-N 2.95Å; L204-A207 PolarHBondContact O-N 3.03Å; A207-K209 VanDerWaalsContact C-N 3.35Å; A207-K209 PolarHBondContact O-N 2.65Å; A207-A210 PolarHBondContact O-N 2.76Å; A207-L211 WeakPolarHBondContact O-CG 3.15Å; A207-L211 PolarHBondContact O-N 3.37Å; A207-L258 HydrophobicContact CB-CD1 3.73Å
208R98.4Very high97.5Very high69 Ų6967.9 Ų67.926%0.2633%0.328SS..Hα-helixtrans-57.9-47.1173.3-172-168.4175.4170.74.3111.4L204 V205 L206 A210 L211 M212 W300 E303L204-R208 WeakPolarHBondContact O-CB 3.41Å; L204-R208 PolarHBondContact O-N 3.22Å; V205-R208 PolarHBondContact O-N 3.42Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 3.06Å; R208-A210 VanDerWaalsContact C-N 3.32Å; R208-A210 PolarHBondContact O-N 3.47Å; R208-L211 PolarHBondContact O-N 3.04Å; R208-M212 HydrophobicContact CG-CG 4.35Å; R208-M212 WeakPolarHBondContact O-CG 3.42Å; R208-M212 PolarHBondContact O-N 3.18Å; R208-W300 HydrophobicContact CB-CD2 4.12Å; R208-W300 HydrophobicContact CB-CE3 4.36Å; R208-W300 HydrophobicContact CB-CH2 3.98Å; R208-W300 HydrophobicContact CB-CZ2 3.73Å; R208-W300 HydrophobicContact CB-CZ3 4.29Å; R208-W300 HydrophobicContact CG-CD2 3.86Å; R208-W300 HydrophobicContact CG-CE3 4.3Å; R208-W300 HydrophobicContact CG-CG 4.1Å; R208-W300 HydrophobicContact CG-CZ2 4.36Å; R208-E303 IonicContact CZ-OE2 2.63Å; R208-E303 IonicContact NH1-OE2 2.62Å; R208-E303 PolarHBondContact NH1-OE2 3.02Å; R208-E303 IonicContact NH2-OE2 2.74Å; R208-E303 PolarHBondContact NH2-OE2 3.13Å
209K98.2Very high97.3Very high150 Ų15067.3 Ų67.365%0.65233%0.327SS*.Hα-helixtrans-58.8-44177.7-175.6178.2179179.20111.5V205 L206 A207 M212 T213V205-K209 PolarHBondContact O-N 2.74Å; V205-K209 VanDerWaalsContact O-N 3.08Å; L206-K209 WeakPolarHBondContact O-CB 3.46Å; L206-K209 PolarHBondContact O-N 2.82Å; A207-K209 VanDerWaalsContact C-N 3.35Å; A207-K209 PolarHBondContact O-N 2.65Å; K209-M212 PolarHBondContact O-N 2.93Å; K209-T213 WeakPolarHBondContact O-CB 3.17Å; K209-T213 PolarHBondContact O-N 3.05Å; K209-T213 PolarHBondContact O-OG1 3.02Å
210A98.3Very high97Very high34 Ų3468 Ų6828%0.28134%0.341SS..Hα-helixtrans-62.4-43.5176.800000112.3I178 L206 A207 R208 T213 R214I178-A210 HydrophobicContact CD1-CB 4.05Å; I178-A210 HydrophobicContact CG1-CB 3.98Å; I178-A210 HydrophobicContact CG2-CB 4.37Å; L206-A210 PolarHBondContact O-N 3.34Å; A207-A210 PolarHBondContact O-N 2.76Å; R208-A210 VanDerWaalsContact C-N 3.32Å; R208-A210 PolarHBondContact O-N 3.47Å; A210-T213 PolarHBondContact O-N 3.3Å; A210-R214 PolarHBondContact O-N 3.08Å
211L98.2Very high96.9Very high0 Ų070 Ų700%035%0.354CS..Hα-helixtrans-63.8-46.9176.7-70.3169.2000111.8I178 A207 R208 T213 R214 I215 I256 S257 L258 W300 F308I178-L211 HydrophobicContact CB-CD2 3.7Å; I178-L211 HydrophobicContact CB-CG 3.92Å; I178-L211 HydrophobicContact CG1-CD2 3.46Å; I178-L211 VanDerWaalsContact CG1-CD2 3.46Å; I178-L211 HydrophobicContact CG1-CG 3.8Å; A207-L211 WeakPolarHBondContact O-CG 3.15Å; A207-L211 PolarHBondContact O-N 3.37Å; R208-L211 PolarHBondContact O-N 3.04Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 2.93Å; L211-R214 WeakPolarHBondContact O-CB 3.45Å; L211-R214 PolarHBondContact O-N 3.39Å; L211-R214 VanDerWaalsContact O-N 3.08Å; L211-I215 PolarHBondContact O-N 3.26Å; L211-I256 HydrophobicContact CB-CD1 3.79Å; L211-I256 HydrophobicContact CB-CG1 4.33Å; L211-I256 HydrophobicContact CD2-CD1 3.96Å; L211-I256 HydrophobicContact CD2-CG1 3.77Å; L211-I256 HydrophobicContact CG-CD1 4.43Å; L211-I256 HydrophobicContact CG-CG1 4.49Å; L211-S257 WeakPolarHBondContact CD2-O 3.28Å; L211-L258 HydrophobicContact CD1-CB 4.41Å; L211-L258 HydrophobicContact CD1-CD1 4.47Å; L211-W300 HydrophobicContact CD1-CZ3 4.2Å; L211-F308 HydrophobicContact CB-CE1 3.91Å; L211-F308 HydrophobicContact CB-CZ 4.47Å; L211-F308 HydrophobicContact CD1-CD1 4.22Å; L211-F308 HydrophobicContact CD1-CE1 3.8Å; L211-F308 HydrophobicContact CG-CE1 4.47Å
212M97.4Very high96.8Very high58 Ų5871 Ų7129%0.28636%0.355SS..Hα-helixtrans-62.9-34.4176.5-69.1-56.2-59.400112.5R208 K209 R214 I215 A216 T304 F308R208-M212 HydrophobicContact CG-CG 4.35Å; R208-M212 WeakPolarHBondContact O-CG 3.42Å; R208-M212 PolarHBondContact O-N 3.18Å; K209-M212 PolarHBondContact O-N 2.93Å; M212-R214 VanDerWaalsContact C-N 3.26Å; M212-R214 PolarHBondContact O-N 3.24Å; M212-I215 HydrophobicContact CE-CD1 4.45Å; M212-I215 PolarHBondContact O-N 3.12Å; M212-I215 HydrophobicContact SD-CD1 3.87Å; M212-A216 WeakPolarHBondContact O-CB 3.47Å; M212-A216 PolarHBondContact O-N 2.91Å; M212-T304 HydrophobicContact CE-CG2 4.48Å; M212-T304 HydrophobicContact SD-CG2 4.19Å; M212-F308 HydrophobicContact CG-CZ 4.47Å; M212-F308 HydrophobicContact SD-CE2 4.05Å; M212-F308 HydrophobicContact SD-CZ 3.68Å
213T97.1Very high96.7Very high77 Ų7766.3 Ų66.347%0.47233%0.333SS..Hα-helixtrans-62.5-36.2175-56.40000111.1K209 A210 L211 R217K209-T213 WeakPolarHBondContact O-CB 3.17Å; K209-T213 PolarHBondContact O-N 3.05Å; K209-T213 PolarHBondContact O-OG1 3.02Å; A210-T213 PolarHBondContact O-N 3.3Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 2.93Å; T213-R217 WeakPolarHBondContact O-CG 3.42Å; T213-R217 PolarHBondContact O-N 2.96Å
214R94.5Very high96.6Very high110 Ų11068.7 Ų68.742%0.41534%0.342SS..Hα-helixtrans-67.6-40.4175.6-63.317969.4128.79.4111.9V177 A210 L211 M212 R217V177-R214 PolarHBondContact O-NH1 3.05Å; A210-R214 PolarHBondContact O-N 3.08Å; L211-R214 WeakPolarHBondContact O-CB 3.45Å; L211-R214 PolarHBondContact O-N 3.39Å; L211-R214 VanDerWaalsContact O-N 3.08Å; M212-R214 VanDerWaalsContact C-N 3.26Å; M212-R214 PolarHBondContact O-N 3.24Å; R214-R217 PolarHBondContact O-N 3.29Å
215I95.2Very high96.4Very high5 Ų573 Ų733%0.02637%0.369CS..Hα-helixtrans-61-50.2175.3-67.4171000110L175 L211 M212 R217 L218 I256 Y306 F308L175-I215 HydrophobicContact CD1-CD1 4.47Å; L175-I215 HydrophobicContact CD1-CG1 3.92Å; L211-I215 PolarHBondContact O-N 3.26Å; M212-I215 HydrophobicContact CE-CD1 4.45Å; M212-I215 PolarHBondContact O-N 3.12Å; M212-I215 HydrophobicContact SD-CD1 3.87Å; I215-R217 PolarHBondContact O-N 3.44Å; I215-R217 VanDerWaalsContact O-N 3.14Å; I215-L218 WeakPolarHBondContact O-CB 3.44Å; I215-L218 PolarHBondContact O-N 3.11Å; I215-I256 HydrophobicContact CD1-CD1 3.5Å; I215-I256 HydrophobicContact CG1-CD1 3.59Å; I215-Y306 HydrophobicContact CD1-CD1 4.1Å; I215-Y306 HydrophobicContact CD1-CD2 3.94Å; I215-Y306 HydrophobicContact CD1-CE1 4.41Å; I215-Y306 HydrophobicContact CD1-CE2 4.26Å; I215-Y306 HydrophobicContact CD1-CG 3.85Å; I215-Y306 HydrophobicContact CG2-CE1 3.88Å; I215-Y306 HydrophobicContact CG2-CE2 3.83Å; I215-Y306 VanDerWaalsContact CG2-CZ 3.43Å; I215-Y306 WeakPolarHBondContact CG2-OH 3.24Å; I215-F308 HydrophobicContact CD1-CZ 4.38Å
216A95.6Very high96.2Very high48 Ų4869 Ų6940%0.39735%0.347SS..Hα-helixtrans-59.1-29.3-178.500000113M212 L218 E219M212-A216 WeakPolarHBondContact O-CB 3.47Å; M212-A216 PolarHBondContact O-N 2.91Å; A216-L218 PolarHBondContact O-N 3.45Å; A216-E219 WeakPolarHBondContact O-CB 3.28Å; A216-E219 PolarHBondContact O-N 3.39Å
217R94.5Very high96.1Very high203 Ų20367.2 Ų67.277%0.76634%0.341SS*.THydrogen-bonded Turntrans-67.4-15.2175-71.8-175.8103.3-171.56.8114.1T213 R214 I215 V221T213-R217 WeakPolarHBondContact O-CG 3.42Å; T213-R217 PolarHBondContact O-N 2.96Å; R214-R217 PolarHBondContact O-N 3.29Å; I215-R217 PolarHBondContact O-N 3.44Å; I215-R217 VanDerWaalsContact O-N 3.14Å; R217-V221 WeakPolarHBondContact O-CG2 3.39Å
218L94.2Very high96Very high46 Ų4672.4 Ų72.424%0.24137%0.367CS..THydrogen-bonded Turntrans-92.6-10.5177.5-60174.3000112.5L175 I215 A216 V221 F249L175-L218 HydrophobicContact CD2-CD1 3.9Å; I215-L218 WeakPolarHBondContact O-CB 3.44Å; I215-L218 PolarHBondContact O-N 3.11Å; A216-L218 PolarHBondContact O-N 3.45Å; L218-V221 WeakPolarHBondContact O-CB 3.49Å; L218-V221 PolarHBondContact O-N 3.18Å; L218-F249 HydrophobicContact CD1-CD2 4Å; L218-F249 HydrophobicContact CD1-CE2 3.87Å
219E93.3Very high95.9Very high120 Ų12072.4 Ų72.456%0.56137%0.372SS*.THydrogen-bonded Turntrans-66.9131.3176.4-63.6176.6-178.900110.3A216 V221A216-E219 WeakPolarHBondContact O-CB 3.28Å; A216-E219 PolarHBondContact O-N 3.39Å; E219-V221 PolarHBondContact O-N 3.05Å
220G93.6Very high95.8Very high44 Ų4466.6 Ų66.645%0.45435%0.346SS..THydrogen-bonded Turntrans79.5-4-177.900000114.7K222 D244G220-K222 PolarHBondContact O-N 3.48Å; G220-D244 WeakPolarHBondContact CA-OD2 3.42Å; G220-D244 PolarHBondContact N-OD1 2.84Å; G220-D244 PolarHBondContact N-OD2 2.71Å
221V96.2Very high95.8Very high44 Ų4467.1 Ų67.127%0.26734%0.343SS..  trans-74.2127.7-178.6175.80000109.8R217 L218 E219 V225 D244 V245R217-V221 WeakPolarHBondContact O-CG2 3.39Å; L218-V221 WeakPolarHBondContact O-CB 3.49Å; L218-V221 PolarHBondContact O-N 3.18Å; E219-V221 PolarHBondContact O-N 3.05Å; V221-V225 HydrophobicContact CG1-CB 4.39Å; V221-V225 HydrophobicContact CG1-CG1 3.9Å; V221-D244 PolarHBondContact N-OD1 2.92Å; V221-D244 WeakPolarHBondContact O-CA 3.4Å; V221-D244 VanDerWaalsContact O-OD1 3.13Å; V221-V245 HydrophobicContact CB-CG2 3.83Å; V221-V245 HydrophobicContact CG1-CG2 3.93Å; V221-V245 WeakPolarHBondContact O-CG2 3.48Å; V221-V245 PolarHBondContact O-N 2.91Å
222K97.1Very high95.7Very high74 Ų7472.3 Ų72.332%0.32237%0.367SS..BIsolated β-bridgetrans-87.5144.5-174.1-56.5-47.4-165.1167.60113G220 R224 V225 D242 D243G220-K222 PolarHBondContact O-N 3.48Å; K222-R224 HydrophobicContact CB-CG 3.98Å; K222-R224 PolarHBondContact O-N 2.82Å; K222-R224 VanDerWaalsContact O-N 3.08Å; K222-V225 WeakPolarHBondContact O-CB 3.38Å; K222-V225 VanDerWaalsContact O-CG1 3.31Å; K222-V225 WeakPolarHBondContact O-CG1 3.38Å; K222-V225 PolarHBondContact O-N 3.17Å; K222-D242 VanDerWaalsContact CD-O 3.3Å; K222-D242 WeakPolarHBondContact CD-O 3.32Å; K222-D242 WeakPolarHBondContact CE-O 3.39Å; K222-D242 PolarHBondContact NZ-O 3.19Å; K222-D243 WeakPolarHBondContact CA-O 3.48Å
223A95.7Very high95.5Very high0 Ų070.9 Ų70.90%037%0.368CS..G310 helixtrans-55.6-29.4-177.500000114.1V225 A226 M231 L239 N240 A241 D243 V245A223-V225 PolarHBondContact O-N 2.73Å; A223-A226 PolarHBondContact O-N 3.37Å; A223-M231 HydrophobicContact CB-CG 4.08Å; A223-L239 HydrophobicContact CB-CB 3.81Å; A223-L239 HydrophobicContact CB-CD1 4.22Å; A223-N240 VanDerWaalsContact CB-O 3.28Å; A223-N240 WeakPolarHBondContact CB-O 3.42Å; A223-A241 PolarHBondContact N-O 3.24Å; A223-D243 PolarHBondContact N-O 3.08Å; A223-V245 HydrophobicContact CB-CG1 4.17Å
224R96.2Very high95.4Very high140 Ų14069.9 Ų69.953%0.52837%0.367SS..G310 helixtrans-55.3-17174.761.4167.2163.9-102.1-3.9115.1K222 A226 A241 D242K222-R224 HydrophobicContact CB-CG 3.98Å; K222-R224 PolarHBondContact O-N 2.82Å; K222-R224 VanDerWaalsContact O-N 3.08Å; R224-A226 VanDerWaalsContact C-N 3.25Å; R224-A226 PolarHBondContact O-N 2.85Å; R224-A241 HydrophobicContact CB-CB 4.26Å; R224-A241 PolarHBondContact N-O 3.44Å; R224-A241 VanDerWaalsContact N-O 3.13Å; R224-D242 IonicContact CZ-OD1 3.65Å; R224-D242 IonicContact NH1-OD1 3.7Å; R224-D242 PolarHBondContact NH1-OD1 3.47Å; R224-D242 IonicContact NH2-OD1 3.75Å
225V95.3Very high95.5Very high98 Ų9865.1 Ų65.159%0.59435%0.35SS*.G310 helixtrans-63.3-30.6178.2760000112.8V221 K222 A223 Y230V221-V225 HydrophobicContact CG1-CB 4.39Å; V221-V225 HydrophobicContact CG1-CG1 3.9Å; K222-V225 WeakPolarHBondContact O-CB 3.38Å; K222-V225 VanDerWaalsContact O-CG1 3.31Å; K222-V225 WeakPolarHBondContact O-CG1 3.38Å; K222-V225 PolarHBondContact O-N 3.17Å; A223-V225 PolarHBondContact O-N 2.73Å; V225-Y230 HydrophobicContact CG1-CD2 4.15Å; V225-Y230 HydrophobicContact CG1-CE2 3.75Å
226A94.6Very high95.4Very high23 Ų2367.2 Ų67.219%0.1937%0.374CS..  trans-149.880.2177.900000110.8A223 R224 I228 L229 Y230A223-A226 PolarHBondContact O-N 3.37Å; R224-A226 VanDerWaalsContact C-N 3.25Å; R224-A226 PolarHBondContact O-N 2.85Å; A226-I228 VanDerWaalsContact C-N 3.31Å; A226-I228 PolarHBondContact O-N 3.38Å; A226-L229 HydrophobicContact CB-CB 4.11Å; A226-L229 HydrophobicContact CB-CD1 3.88Å; A226-L229 HydrophobicContact CB-CG 4.05Å; A226-L229 PolarHBondContact O-N 3.16Å; A226-Y230 HydrophobicContact CB-CD2 3.88Å; A226-Y230 HydrophobicContact CB-CE2 3.72Å; A226-Y230 WeakPolarHBondContact O-CD2 3.5Å; A226-Y230 PolarHBondContact O-N 2.91Å
227P96.4Very high95.3Very high62 Ų6266.6 Ų66.640%0.40337%0.365SS..Hα-helixtrans-55.9-41.1-172.7-28.436.5000113.8L229 Y230 M231 E232P227-L229 PolarHBondContact O-N 3.4Å; P227-Y230 PolarHBondContact O-N 2.99Å; P227-M231 HydrophobicContact CB-CB 4.48Å; P227-M231 HydrophobicContact CB-SD 3.92Å; P227-M231 HydrophobicContact CG-SD 4.22Å; P227-M231 CarbonylContact O-C 3.58Å; P227-M231 WeakPolarHBondContact O-CA 3.45Å; P227-M231 WeakPolarHBondContact O-CB 3.26Å; P227-M231 PolarHBondContact O-N 2.65Å; P227-E232 PolarHBondContact O-N 2.73Å
228I96Very high95.3Very high115 Ų11565.8 Ų65.859%0.5936%0.362SS*.Hα-helixtrans-58.6-37.6178.5-171.659.7000112.5A226 E232 A234A226-I228 VanDerWaalsContact C-N 3.31Å; A226-I228 PolarHBondContact O-N 3.38Å; I228-E232 HydrophobicContact CD1-CB 4.16Å; I228-A234 HydrophobicContact CG1-CB 4.49Å; I228-A234 WeakPolarHBondContact O-CB 3.37Å; I228-A234 PolarHBondContact O-N 2.93Å
229L95.8Very high95.4Very high70 Ų7065.1 Ų65.137%0.36636%0.358SS..Hα-helixtrans-74.7-54.4-179.8-61.3-175.6000110.7A226 P227 A234 C235A226-L229 HydrophobicContact CB-CB 4.11Å; A226-L229 HydrophobicContact CB-CD1 3.88Å; A226-L229 HydrophobicContact CB-CG 4.05Å; A226-L229 PolarHBondContact O-N 3.16Å; P227-L229 PolarHBondContact O-N 3.4Å; L229-A234 HydrophobicContact CD2-CB 4.29Å; L229-C235 WeakPolarHBondContact O-CB 3.47Å; L229-C235 PolarHBondContact O-N 3.34Å
230Y96.6Very high95.7Very high28 Ų2864.8 Ų64.811%0.1136%0.36CS..Hα-helixtrans-98.7-24.6-163.8-55.6-53.5000114.5V225 A226 P227 L239 V245 I248 F249V225-Y230 HydrophobicContact CG1-CD2 4.15Å; V225-Y230 HydrophobicContact CG1-CE2 3.75Å; A226-Y230 HydrophobicContact CB-CD2 3.88Å; A226-Y230 HydrophobicContact CB-CE2 3.72Å; A226-Y230 WeakPolarHBondContact O-CD2 3.5Å; A226-Y230 PolarHBondContact O-N 2.91Å; P227-Y230 PolarHBondContact O-N 2.99Å; Y230-L239 WeakPolarHBondContact O-CB 3.34Å; Y230-L239 PolarHBondContact O-N 3.41Å; Y230-V245 HydrophobicContact CD1-CB 4.35Å; Y230-V245 HydrophobicContact CD1-CG1 4.02Å; Y230-V245 HydrophobicContact CD2-CG1 3.63Å; Y230-V245 HydrophobicContact CE1-CB 4.24Å; Y230-V245 HydrophobicContact CE1-CG1 4.22Å; Y230-V245 HydrophobicContact CE2-CB 4.47Å; Y230-V245 HydrophobicContact CE2-CG1 3.83Å; Y230-V245 HydrophobicContact CG-CG1 3.73Å; Y230-I248 HydrophobicContact CD1-CD1 3.85Å; Y230-I248 HydrophobicContact CE1-CD1 4.11Å; Y230-F249 HydrophobicContact CE1-CE1 4.3Å; Y230-F249 AromaticContact CE1-CZ 3.77Å; Y230-F249 HydrophobicContact CE1-CZ 3.77Å
231M97.3Very high95.8Very high44 Ų4464.4 Ų64.422%0.21735%0.353CS..THydrogen-bonded Turntrans-110.6-32.8-172.2-54.4174.957.500112.3A223 P227 R238 L239 A241A223-M231 HydrophobicContact CB-CG 4.08Å; P227-M231 HydrophobicContact CB-CB 4.48Å; P227-M231 HydrophobicContact CB-SD 3.92Å; P227-M231 HydrophobicContact CG-SD 4.22Å; P227-M231 CarbonylContact O-C 3.58Å; P227-M231 WeakPolarHBondContact O-CA 3.45Å; P227-M231 WeakPolarHBondContact O-CB 3.26Å; P227-M231 PolarHBondContact O-N 2.65Å; M231-R238 WeakPolarHBondContact O-CB 2.99Å; M231-R238 WeakPolarHBondContact O-CG 3.28Å; M231-L239 WeakPolarHBondContact CG-O 3.33Å; M231-A241 HydrophobicContact CE-CB 3.99Å; M231-A241 HydrophobicContact SD-CB 4.38Å
232E96.7Very high95.8Very high109 Ų10967 Ų6751%0.50937%0.365SS..SBendtrans-103.48.4-172-56.8-57.2153.900114.6P227 I228P227-E232 PolarHBondContact O-N 2.73Å; I228-E232 HydrophobicContact CD1-CB 4.16Å
233G93.9Very high95.8Very high29 Ų2966.3 Ų66.330%0.29937%0.365SS..SBendtrans98.8-1168.500000116.7C235 G236 V237G233-C235 VanDerWaalsContact C-N 3.27Å; G233-C235 PolarHBondContact O-N 3.36Å; G233-G236 WeakPolarHBondContact O-CA 3.47Å; G233-G236 PolarHBondContact O-N 2.93Å; G233-V237 VanDerWaalsContact CA-O 3.32Å; G233-V237 WeakPolarHBondContact CA-O 3.38Å; G233-V237 PolarHBondContact N-O 3.36Å
234A95.2Very high95.9Very high55 Ų5568.2 Ų68.246%0.45538%0.375SS..THydrogen-bonded Turntrans-66.5-29.6179.700000112.8G171 I228 L229 G236G171-A234 WeakPolarHBondContact CA-O 3.36Å; I228-A234 HydrophobicContact CG1-CB 4.49Å; I228-A234 WeakPolarHBondContact O-CB 3.37Å; I228-A234 PolarHBondContact O-N 2.93Å; L229-A234 HydrophobicContact CD2-CB 4.29Å; A234-G236 VanDerWaalsContact C-N 3.28Å
235C95.2Very high95.9Very high10 Ų1061.6 Ų61.67%0.06835%0.35CS..THydrogen-bonded Turntrans-89.822.4168.1-70.20000113.3G171 L229 G233 V237 I248 R253G171-C235 VanDerWaalsContact CA-C 3.41Å; G171-C235 CarbonylContact O-C 3.39Å; G171-C235 WeakPolarHBondContact O-CA 3.49Å; L229-C235 WeakPolarHBondContact O-CB 3.47Å; L229-C235 PolarHBondContact O-N 3.34Å; G233-C235 VanDerWaalsContact C-N 3.27Å; G233-C235 PolarHBondContact O-N 3.36Å; C235-V237 HydrophobicContact CB-CG2 4.22Å; C235-V237 PolarHBondContact O-N 2.93Å; C235-V237 VanDerWaalsContact O-N 3.1Å; C235-I248 HydrophobicContact CB-CD1 4.27Å; C235-R253 PolarHBondContact O-NH2 3.23Å
236G93Very high95.8Very high50 Ų5057.2 Ų57.252%0.51532%0.324SS..SBendtrans64.216.717700000114.5G233 A234G233-G236 WeakPolarHBondContact O-CA 3.47Å; G233-G236 PolarHBondContact O-N 2.93Å; A234-G236 VanDerWaalsContact C-N 3.28Å
237V93.4Very high95.8Very high34 Ų3461 Ų6121%0.20634%0.338CS..  trans-140.3160.7179.8-63.40000109.4G233 C235 L239 I248G233-V237 VanDerWaalsContact CA-O 3.32Å; G233-V237 WeakPolarHBondContact CA-O 3.38Å; G233-V237 PolarHBondContact N-O 3.36Å; C235-V237 HydrophobicContact CB-CG2 4.22Å; C235-V237 PolarHBondContact O-N 2.93Å; C235-V237 VanDerWaalsContact O-N 3.1Å; V237-L239 HydrophobicContact CG2-CG 4.17Å; V237-I248 HydrophobicContact CG1-CG2 4.29Å; V237-I248 HydrophobicContact CG2-CD1 3.98Å; V237-I248 HydrophobicContact CG2-CG2 4.2Å
238R96.2Very high95.7Very high187 Ų18758.9 Ų58.971%0.70632%0.323SS*.  trans-130.784.8174.4-65-171.9169.3-139.5-7.8109.2M231M231-R238 WeakPolarHBondContact O-CB 2.99Å; M231-R238 WeakPolarHBondContact O-CG 3.28Å
239L96.5Very high95.6Very high31 Ų3153.6 Ų53.616%0.16230%0.296CS..  trans-76.4152.6177.3-61.1-175.5000110.8A223 Y230 M231 V237 D243 I248A223-L239 HydrophobicContact CB-CB 3.81Å; A223-L239 HydrophobicContact CB-CD1 4.22Å; Y230-L239 WeakPolarHBondContact O-CB 3.34Å; Y230-L239 PolarHBondContact O-N 3.41Å; M231-L239 WeakPolarHBondContact CG-O 3.33Å; V237-L239 HydrophobicContact CG2-CG 4.17Å; L239-D243 HydrophobicContact CB-CB 4.05Å; L239-D243 HydrophobicContact CD2-CB 4.47Å; L239-I248 HydrophobicContact CD1-CG2 3.99Å; L239-I248 HydrophobicContact CD2-CG2 4Å; L239-I248 HydrophobicContact CG-CG2 4.38Å
240N97.7Very high95.5Very high114 Ų11453.3 Ų53.361%0.6129%0.291SS*.  trans-74.1157.1166.2-56.9-69.7000110.1A223 D242 D243A223-N240 VanDerWaalsContact CB-O 3.28Å; A223-N240 WeakPolarHBondContact CB-O 3.42Å; N240-D242 PolarHBondContact O-N 2.95Å; N240-D243 WeakPolarHBondContact CB-OD2 3.48Å; N240-D243 PolarHBondContact N-OD2 3.45Å; N240-D243 PolarHBondContact ND2-OD2 3.19Å; N240-D243 VanDerWaalsContact ND2-OD2 3.08Å; N240-D243 WeakPolarHBondContact O-CB 3.46Å; N240-D243 PolarHBondContact O-N 2.88Å
241A96.6Very high95.4Very high35 Ų3558.1 Ų58.129%0.28932%0.319SS..THydrogen-bonded Turntrans-54.1-32.3-17500000114.5A223 R224 M231A223-A241 PolarHBondContact N-O 3.24Å; R224-A241 HydrophobicContact CB-CB 4.26Å; R224-A241 PolarHBondContact N-O 3.44Å; R224-A241 VanDerWaalsContact N-O 3.13Å; M231-A241 HydrophobicContact CE-CB 3.99Å; M231-A241 HydrophobicContact SD-CB 4.38Å
242D97.2Very high95.2Very high98 Ų9856.6 Ų56.652%0.52432%0.315SS..THydrogen-bonded Turntrans-98.1-0.4-177.1-71.9-59.4000114.6K222 R224 N240K222-D242 VanDerWaalsContact CD-O 3.3Å; K222-D242 WeakPolarHBondContact CD-O 3.32Å; K222-D242 WeakPolarHBondContact CE-O 3.39Å; K222-D242 PolarHBondContact NZ-O 3.19Å; R224-D242 IonicContact CZ-OD1 3.65Å; R224-D242 IonicContact NH1-OD1 3.7Å; R224-D242 PolarHBondContact NH1-OD1 3.47Å; R224-D242 IonicContact NH2-OD1 3.75Å; N240-D242 PolarHBondContact O-N 2.95Å
243D97.1Very high95.2Very high60 Ų6052.3 Ų52.332%0.32129%0.294SS..SBendtrans-70.5148174.8-66.8-18.8000110.3K222 A223 L239 N240K222-D243 WeakPolarHBondContact CA-O 3.48Å; A223-D243 PolarHBondContact N-O 3.08Å; L239-D243 HydrophobicContact CB-CB 4.05Å; L239-D243 HydrophobicContact CD2-CB 4.47Å; N240-D243 WeakPolarHBondContact CB-OD2 3.48Å; N240-D243 PolarHBondContact N-OD2 3.45Å; N240-D243 PolarHBondContact ND2-OD2 3.19Å; N240-D243 VanDerWaalsContact ND2-OD2 3.08Å; N240-D243 WeakPolarHBondContact O-CB 3.46Å; N240-D243 PolarHBondContact O-N 2.88Å
244D96.1Very high95.3Very high41 Ų4150.9 Ų50.922%0.21928%0.28CS..BIsolated β-bridgetrans-80.1127.1177.2-161.7-21.6000110.8G220 V221 S246G220-D244 WeakPolarHBondContact CA-OD2 3.42Å; G220-D244 PolarHBondContact N-OD1 2.84Å; G220-D244 PolarHBondContact N-OD2 2.71Å; V221-D244 PolarHBondContact N-OD1 2.92Å; V221-D244 WeakPolarHBondContact O-CA 3.4Å; V221-D244 VanDerWaalsContact O-OD1 3.13Å; D244-S246 VanDerWaalsContact CG-OG 3.22Å; D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 PolarHBondContact OD1-N 3.42Å; D244-S246 PolarHBondContact OD1-OG 3.15Å; D244-S246 VanDerWaalsContact OD1-OG 3.11Å; D244-S246 PolarHBondContact OD2-OG 3.48Å
245V96.5Very high95.4Very high0 Ų048.5 Ų48.50%026%0.259CS..G310 helixtrans-72.4-19.8179.3-55.50000112.1V221 A223 Y230 E247 I248 F249V221-V245 HydrophobicContact CB-CG2 3.83Å; V221-V245 HydrophobicContact CG1-CG2 3.93Å; V221-V245 WeakPolarHBondContact O-CG2 3.48Å; V221-V245 PolarHBondContact O-N 2.91Å; A223-V245 HydrophobicContact CB-CG1 4.17Å; Y230-V245 HydrophobicContact CD1-CB 4.35Å; Y230-V245 HydrophobicContact CD1-CG1 4.02Å; Y230-V245 HydrophobicContact CD2-CG1 3.63Å; Y230-V245 HydrophobicContact CE1-CB 4.24Å; Y230-V245 HydrophobicContact CE1-CG1 4.22Å; Y230-V245 HydrophobicContact CE2-CB 4.47Å; Y230-V245 HydrophobicContact CE2-CG1 3.83Å; Y230-V245 HydrophobicContact CG-CG1 3.73Å; V245-E247 PolarHBondContact O-N 3.24Å; V245-I248 WeakPolarHBondContact O-CG1 3.08Å; V245-I248 PolarHBondContact O-N 3Å; V245-F249 HydrophobicContact CB-CE2 4.22Å; V245-F249 HydrophobicContact CB-CZ 4.38Å; V245-F249 HydrophobicContact CG2-CE2 4Å; V245-F249 WeakPolarHBondContact O-CD2 3.46Å; V245-F249 VanDerWaalsContact O-CE2 3.25Å; V245-F249 WeakPolarHBondContact O-CE2 3.25Å
246S94.7Very high95.5Very high6 Ų648 Ų484%0.04226%0.256CS..G310 helixtrans-60.7-31.6-178.9600000113D244 I248 F249D244-S246 VanDerWaalsContact CG-OG 3.22Å; D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 PolarHBondContact OD1-N 3.42Å; D244-S246 PolarHBondContact OD1-OG 3.15Å; D244-S246 VanDerWaalsContact OD1-OG 3.11Å; D244-S246 PolarHBondContact OD2-OG 3.48Å; S246-I248 VanDerWaalsContact C-N 3.31Å; S246-I248 PolarHBondContact O-N 2.87Å; S246-F249 PolarHBondContact O-N 3.17Å
247E93.5Very high95.8Very high103 Ų10345.6 Ų45.648%0.48123%0.232SC..G310 helixtrans-63.1-36.6-174.9-60.5-44.2110.800112.6V245 F249 K250V245-E247 PolarHBondContact O-N 3.24Å; E247-F249 PolarHBondContact O-N 3.34Å; E247-K250 PolarHBondContact O-N 2.75Å; E247-K250 WeakPolarHBondContact OE1-CE 3.36Å; E247-K250 IonicContact OE1-NZ 3.48Å; E247-K250 PolarHBondContact OE1-NZ 2.87Å; E247-K250 IonicContact OE2-NZ 3.46Å; E247-K250 PolarHBondContact OE2-NZ 2.84Å
248I94.6Very high96Very high18 Ų1844 Ų449%0.09222%0.222CC..G310 helixtrans-76-2.8-177.765151.8000113.7Y230 C235 V237 L239 V245 S246 R253Y230-I248 HydrophobicContact CD1-CD1 3.85Å; Y230-I248 HydrophobicContact CE1-CD1 4.11Å; C235-I248 HydrophobicContact CB-CD1 4.27Å; V237-I248 HydrophobicContact CG1-CG2 4.29Å; V237-I248 HydrophobicContact CG2-CD1 3.98Å; V237-I248 HydrophobicContact CG2-CG2 4.2Å; L239-I248 HydrophobicContact CD1-CG2 3.99Å; L239-I248 HydrophobicContact CD2-CG2 4Å; L239-I248 HydrophobicContact CG-CG2 4.38Å; V245-I248 WeakPolarHBondContact O-CG1 3.08Å; V245-I248 PolarHBondContact O-N 3Å; S246-I248 VanDerWaalsContact C-N 3.31Å; S246-I248 PolarHBondContact O-N 2.87Å; I248-R253 WeakPolarHBondContact O-CD 3.3Å; I248-R253 WeakPolarHBondContact O-CG 3.48Å; I248-R253 PolarHBondContact O-NH1 2.98Å
249F94.6Very high96.1Very high4 Ų435.1 Ų35.12%0.01819%0.188CC..G310 helixtrans-104-16.1-179.8-55.1-38.5000113.5N173 L175 L218 Y230 V245 S246 E247 A254N173-F249 VanDerWaalsContact ND2-CE1 3.27Å; N173-F249 WeakPolarHBondContact ND2-CE1 3.34Å; L175-F249 HydrophobicContact CD1-CB 4.11Å; L175-F249 HydrophobicContact CD2-CB 4.05Å; L175-F249 HydrophobicContact CD2-CD1 3.9Å; L175-F249 HydrophobicContact CD2-CD2 3.77Å; L175-F249 HydrophobicContact CD2-CE1 4.3Å; L175-F249 HydrophobicContact CD2-CE2 4.18Å; L175-F249 HydrophobicContact CD2-CG 3.63Å; L175-F249 HydrophobicContact CD2-CZ 4.43Å; L218-F249 HydrophobicContact CD1-CD2 4Å; L218-F249 HydrophobicContact CD1-CE2 3.87Å; Y230-F249 HydrophobicContact CE1-CE1 4.3Å; Y230-F249 AromaticContact CE1-CZ 3.77Å; Y230-F249 HydrophobicContact CE1-CZ 3.77Å; V245-F249 HydrophobicContact CB-CE2 4.22Å; V245-F249 HydrophobicContact CB-CZ 4.38Å; V245-F249 HydrophobicContact CG2-CE2 4Å; V245-F249 WeakPolarHBondContact O-CD2 3.46Å; V245-F249 VanDerWaalsContact O-CE2 3.25Å; V245-F249 WeakPolarHBondContact O-CE2 3.25Å; S246-F249 PolarHBondContact O-N 3.17Å; E247-F249 PolarHBondContact O-N 3.34Å; F249-A254 HydrophobicContact CB-CB 3.76Å; F249-A254 HydrophobicContact CD1-CB 3.9Å; F249-A254 HydrophobicContact CG-CB 4.17Å; F249-A254 PolarHBondContact O-N 3.31Å
250K93.4Very high96.2Very high63 Ų6333.6 Ų33.627%0.27418%0.18SC..THydrogen-bonded Turntrans-70.9173.6-177.2-66.3178.1-174.5172.30112.1E247 G252 R253 Y306E247-K250 PolarHBondContact O-N 2.75Å; E247-K250 WeakPolarHBondContact OE1-CE 3.36Å; E247-K250 IonicContact OE1-NZ 3.48Å; E247-K250 PolarHBondContact OE1-NZ 2.87Å; E247-K250 IonicContact OE2-NZ 3.46Å; E247-K250 PolarHBondContact OE2-NZ 2.84Å; K250-G252 VanDerWaalsContact C-N 3.29Å; K250-G252 PolarHBondContact O-N 2.79Å; K250-R253 WeakPolarHBondContact O-CB 3.22Å; K250-R253 PolarHBondContact O-N 3.23Å; K250-R253 VanDerWaalsContact O-N 3.09Å; K250-Y306 HydrophobicContact CG-CE1 4.08Å
251N93.8Very high96.2Very high129 Ų12928.2 Ų28.269%0.6915%0.151SC*.THydrogen-bonded Turntrans55.141.1171.3-49.6-38.6000113.4W160 R253 G305W160-N251 PolarHBondContact NE1-O 3.46Å; N251-R253 PolarHBondContact O-N 2.84Å; N251-G305 CarbonylContact C-O 3.56Å; N251-G305 VanDerWaalsContact CA-O 3.31Å; N251-G305 WeakPolarHBondContact CA-O 3.48Å; N251-G305 PolarHBondContact N-O 3.04Å
252G93.9Very high96.3Very high13 Ų1326.5 Ų26.513%0.13414%0.138CC..THydrogen-bonded Turntrans73.60.9178.100000115.7R172 K250 G305R172-G252 PolarHBondContact NH2-O 3.32Å; K250-G252 VanDerWaalsContact C-N 3.29Å; K250-G252 PolarHBondContact O-N 2.79Å; G252-G305 PolarHBondContact N-O 2.89Å
253R95.9Very high96.3Very high18 Ų1822 Ų227%0.06811%0.114CC..THydrogen-bonded Turntrans-64.4-50.1-177-172.6168.8177.5-72.1-6.1111.4W160 G171 R172 C235 I248 K250 N251W160-R253 HydrophobicContact CD2-CB 4.3Å; W160-R253 HydrophobicContact CD2-CG 4.22Å; W160-R253 HydrophobicContact CH2-CG 4.42Å; W160-R253 HydrophobicContact CZ2-CB 4.15Å; W160-R253 HydrophobicContact CZ2-CG 4.08Å; G171-R253 PolarHBondContact O-NH2 3.31Å; R172-R253 HydrophobicContact CG-CG 4.13Å; R172-R253 PolarHBondContact NE-O 2.76Å; R172-R253 PolarHBondContact NH2-O 3.07Å; C235-R253 PolarHBondContact O-NH2 3.23Å; I248-R253 WeakPolarHBondContact O-CD 3.3Å; I248-R253 WeakPolarHBondContact O-CG 3.48Å; I248-R253 PolarHBondContact O-NH1 2.98Å; K250-R253 WeakPolarHBondContact O-CB 3.22Å; K250-R253 PolarHBondContact O-N 3.23Å; K250-R253 VanDerWaalsContact O-N 3.09Å; N251-R253 PolarHBondContact O-N 2.84Å
254A96.3Very high96.3Very high0 Ų019.8 Ų19.80%010%0.101CC..SBendtrans-90.3142.7170.400000110.9N173 L175 F249 G307N173-A254 WeakPolarHBondContact O-CA 3.4Å; L175-A254 HydrophobicContact CD1-CB 4.14Å; L175-A254 HydrophobicContact CD2-CB 3.86Å; L175-A254 HydrophobicContact CG-CB 3.8Å; F249-A254 HydrophobicContact CB-CB 3.76Å; F249-A254 HydrophobicContact CD1-CB 3.9Å; F249-A254 HydrophobicContact CG-CB 4.17Å; F249-A254 PolarHBondContact O-N 3.31Å; A254-G307 PolarHBondContact O-N 2.75Å
255S97.2Very high96.4Very high4 Ų417.8 Ų17.83%0.0289%0.091CC..EExtended strand (participates in β ladder)trans-85.1155.9169.567.50000111.4N173 N174 L175 G307N173-S255 PolarHBondContact O-N 3.03Å; N174-S255 CarbonylContact C-O 3.6Å; N174-S255 VanDerWaalsContact CA-O 3.26Å; N174-S255 WeakPolarHBondContact CA-O 3.45Å; N174-S255 PolarHBondContact ND2-O 3.19Å; N174-S255 PolarHBondContact ND2-OG 3.46Å; L175-S255 PolarHBondContact N-O 2.91Å; S255-G307 CarbonylContact C-O 3.02Å; S255-G307 VanDerWaalsContact CA-O 3.24Å; S255-G307 WeakPolarHBondContact CA-O 3.36Å
256I97.7Very high96.5Very high0 Ų017.8 Ų17.80%09%0.091CC..EExtended strand (participates in β ladder)trans-137.8137.5168.9-175162.8000108.8L175 L211 I215 G307 F308 S309L175-I256 HydrophobicContact CB-CB 4.39Å; L175-I256 HydrophobicContact CB-CD1 4.36Å; L175-I256 HydrophobicContact CB-CG1 4.47Å; L211-I256 HydrophobicContact CB-CD1 3.79Å; L211-I256 HydrophobicContact CB-CG1 4.33Å; L211-I256 HydrophobicContact CD2-CD1 3.96Å; L211-I256 HydrophobicContact CD2-CG1 3.77Å; L211-I256 HydrophobicContact CG-CD1 4.43Å; L211-I256 HydrophobicContact CG-CG1 4.49Å; I215-I256 HydrophobicContact CD1-CD1 3.5Å; I215-I256 HydrophobicContact CG1-CD1 3.59Å; I256-G307 PolarHBondContact N-O 3.07Å; I256-F308 HydrophobicContact CD1-CE1 4.48Å; I256-F308 HydrophobicContact CG1-CE1 4.47Å; I256-F308 HydrophobicContact CG2-CB 4.25Å; I256-F308 HydrophobicContact CG2-CD1 3.47Å; I256-F308 VanDerWaalsContact CG2-CD1 3.47Å; I256-F308 HydrophobicContact CG2-CD2 3.82Å; I256-F308 HydrophobicContact CG2-CE1 3.62Å; I256-F308 HydrophobicContact CG2-CE2 3.94Å; I256-F308 HydrophobicContact CG2-CG 3.57Å; I256-F308 HydrophobicContact CG2-CZ 3.85Å; I256-F308 CarbonylContact O-C 3.53Å; I256-F308 WeakPolarHBondContact O-CA 3.33Å; I256-S309 PolarHBondContact O-N 2.85Å; I256-S309 PolarHBondContact O-OG 2.79Å
257S98.4Very high96.7Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans-115.1121.4-160.6-68.60000113.1N174 G176 V177 I178 L211 S309N174-S257 PolarHBondContact ND2-OG 3.07Å; G176-S257 PolarHBondContact O-N 3.11Å; V177-S257 WeakPolarHBondContact CA-O 3.14Å; I178-S257 PolarHBondContact N-O 2.87Å; I178-S257 VanDerWaalsContact N-O 3.15Å; L211-S257 WeakPolarHBondContact CD2-O 3.28Å; S257-S309 WeakPolarHBondContact CA-O 3.46Å
258L98.7Very high96.9Very high0 Ų014.1 Ų14.10%07%0.074CC..EExtended strand (participates in β ladder)trans-83.8109160.4-179.167.4000108L180 L204 A207 L211 L293 V297 W300 S309 L310 Y311L180-L258 HydrophobicContact CD1-CD1 4.11Å; L180-L258 HydrophobicContact CD1-CD2 4.41Å; L180-L258 HydrophobicContact CG-CD1 4.12Å; L204-L258 HydrophobicContact CD2-CD2 3.59Å; A207-L258 HydrophobicContact CB-CD1 3.73Å; L211-L258 HydrophobicContact CD1-CB 4.41Å; L211-L258 HydrophobicContact CD1-CD1 4.47Å; L258-L293 HydrophobicContact CD2-CD2 4.35Å; L258-V297 HydrophobicContact CB-CG1 3.58Å; L258-V297 HydrophobicContact CD2-CG1 3.72Å; L258-V297 HydrophobicContact CG-CG1 4.31Å; L258-W300 HydrophobicContact CB-CZ3 4.29Å; L258-W300 HydrophobicContact CD1-CH2 4.31Å; L258-W300 HydrophobicContact CD1-CZ3 4.29Å; L258-W300 HydrophobicContact CD2-CH2 3.94Å; L258-W300 HydrophobicContact CD2-CZ3 3.96Å; L258-W300 HydrophobicContact CG-CZ3 4.41Å; L258-S309 PolarHBondContact N-O 3.23Å; L258-L310 HydrophobicContact CB-CD1 4.5Å; L258-L310 HydrophobicContact CD2-CD1 4.24Å; L258-L310 HydrophobicContact CG-CD1 4.39Å; L258-Y311 PolarHBondContact O-N 3.17Å
259G98.3Very high97Very high0 Ų014.3 Ų14.30%08%0.078CC..EExtended strand (participates in β ladder)trans-81154.417500000112.5I178 S179 L180 Y311 T313I178-G259 PolarHBondContact O-N 3.34Å; S179-G259 CarbonylContact C-O 3.27Å; S179-G259 VanDerWaalsContact CA-O 3.3Å; S179-G259 WeakPolarHBondContact CA-O 3.46Å; L180-G259 PolarHBondContact N-O 3.17Å; G259-Y311 CarbonylContact C-O 3.46Å; G259-Y311 WeakPolarHBondContact CA-O 3.38Å; G259-T313 WeakPolarHBondContact CA-OG1 3.13Å
260Y98.6Very high97.2Very high0 Ų014.7 Ų14.70%08%0.08CC..EExtended strand (participates in β ladder)trans-144.7165.4164.271.1-78.6000111.9L182 I263 V290 L293 L310 Y311 T313 F346 A370L182-Y260 HydrophobicContact CD1-CD2 3.79Å; L182-Y260 HydrophobicContact CD1-CG 4.32Å; Y260-I263 HydrophobicContact CD2-CD1 4.34Å; Y260-I263 HydrophobicContact CD2-CG1 4.17Å; Y260-I263 HydrophobicContact CE2-CD1 4.25Å; Y260-I263 HydrophobicContact CE2-CG1 3.85Å; Y260-V290 HydrophobicContact CE2-CG2 3.93Å; Y260-L293 HydrophobicContact CD1-CD1 4.23Å; Y260-L293 HydrophobicContact CD2-CD1 4.42Å; Y260-L293 HydrophobicContact CG-CD1 3.92Å; Y260-L310 HydrophobicContact CD1-CD1 3.74Å; Y260-L310 HydrophobicContact CD1-CG 4.09Å; Y260-L310 HydrophobicContact CE1-CD1 4.08Å; Y260-L310 HydrophobicContact CE1-CD2 4.18Å; Y260-L310 HydrophobicContact CE1-CG 3.9Å; Y260-Y311 WeakPolarHBondContact CD1-O 3.45Å; Y260-Y311 PolarHBondContact N-O 3.25Å; Y260-Y311 VanDerWaalsContact N-O 3.17Å; Y260-T313 PolarHBondContact N-OG1 3.22Å; Y260-T313 WeakPolarHBondContact O-CB 3.33Å; Y260-T313 PolarHBondContact O-N 3.1Å; Y260-T313 PolarHBondContact O-OG1 3.21Å; Y260-T313 VanDerWaalsContact O-OG1 3.12Å; Y260-F346 WeakPolarHBondContact OH-CD1 3.18Å; Y260-A370 HydrophobicContact CE1-CB 3.97Å
261I97.8Very high97.3Very high0 Ų015.2 Ų15.20%08%0.082CC..EExtended strand (participates in β ladder)trans-153.4154.7175.9179.3158.6000111.2L180 L182 P183 S315 C319 F322 T343L180-I261 PolarHBondContact O-N 2.71Å; L182-I261 WeakPolarHBondContact CB-O 3.5Å; P183-I261 WeakPolarHBondContact CD-O 3.26Å; I261-S315 VanDerWaalsContact CD1-CB 3.43Å; I261-S315 WeakPolarHBondContact CD1-OG 3.35Å; I261-C319 HydrophobicContact CD1-CB 4Å; I261-F322 HydrophobicContact CG2-CD2 3.59Å; I261-F322 HydrophobicContact CG2-CE2 3.71Å; I261-T343 VanDerWaalsContact CG1-O 3.27Å; I261-T343 WeakPolarHBondContact CG1-O 3.01Å
262G97.4Very high97Very high0 Ų010.6 Ų10.60%07%0.066CC..  trans87.935.8160.200000114.1P183 H264 E265 T266 T343P183-G262 WeakPolarHBondContact CG-O 3.19Å; G262-H264 VanDerWaalsContact C-N 3.26Å; G262-H264 PolarHBondContact O-N 3.05Å; G262-E265 VanDerWaalsContact CA-OE2 3.25Å; G262-E265 WeakPolarHBondContact CA-OE2 3.03Å; G262-E265 PolarHBondContact O-N 2.96Å; G262-T266 WeakPolarHBondContact O-CB 3.44Å; G262-T266 PolarHBondContact O-N 2.89Å; G262-T266 PolarHBondContact O-OG1 3.47Å; G262-T343 WeakPolarHBondContact CA-O 3.03Å; G262-T343 PolarHBondContact N-O 3.43Å; G262-T343 VanDerWaalsContact N-O 3.1Å
263I98.2Very high96.5Very high4 Ų414.1 Ų14.12%0.02110%0.102CC..Hα-helixtrans-58.2-42.6178.9-69.3-69.7000110.8L182 Y260 E265 T266 I267 I289 V290 S345L182-I263 HydrophobicContact CD1-CD1 3.5Å; L182-I263 HydrophobicContact CD1-CG1 4.27Å; Y260-I263 HydrophobicContact CD2-CD1 4.34Å; Y260-I263 HydrophobicContact CD2-CG1 4.17Å; Y260-I263 HydrophobicContact CE2-CD1 4.25Å; Y260-I263 HydrophobicContact CE2-CG1 3.85Å; I263-E265 PolarHBondContact O-N 2.84Å; I263-T266 PolarHBondContact O-N 3.44Å; I263-I267 HydrophobicContact CG2-CG1 4.49Å; I263-I267 WeakPolarHBondContact O-CG1 3.36Å; I263-I267 PolarHBondContact O-N 3.5Å; I263-I289 HydrophobicContact CD1-CB 4.24Å; I263-I289 HydrophobicContact CD1-CG2 3.98Å; I263-V290 HydrophobicContact CD1-CG2 3.74Å; I263-V290 HydrophobicContact CG1-CG2 4.21Å; I263-S345 WeakPolarHBondContact CB-O 3.49Å; I263-S345 VanDerWaalsContact CG1-O 3.26Å; I263-S345 WeakPolarHBondContact CG1-O 2.97Å; I263-S345 PolarHBondContact N-O 3.15Å
264H97.6Very high96.3Very high12 Ų1218.6 Ų18.66%0.05612%0.124CC..Hα-helixtrans-56.1-53.7177.7175.569.1000112.1G262 T266 I267 N268 H275 T343G262-H264 VanDerWaalsContact C-N 3.26Å; G262-H264 PolarHBondContact O-N 3.05Å; H264-T266 VanDerWaalsContact C-N 3.31Å; H264-T266 PolarHBondContact O-N 3Å; H264-I267 PolarHBondContact O-N 3.19Å; H264-N268 PolarHBondContact CE1-ND2 2.82Å; H264-N268 VanDerWaalsContact CE1-ND2 3.33Å; H264-N268 PolarHBondContact NE2-ND2 2.76Å; H264-N268 PolarHBondContact O-N 3.25Å; H264-N268 PolarHBondContact O-OD1 2.99Å; H264-H275 AromaticContact CE1-CD2 3.44Å; H264-H275 PolarHBondContact CE1-CD2 2.86Å; H264-H275 VanDerWaalsContact CE1-CD2 3.44Å; H264-H275 AromaticContact CE1-NE2 3.16Å; H264-H275 PolarHBondContact CE1-NE2 2.8Å; H264-H275 AromaticContact ND1-NE2 3.59Å; H264-T343 HydrophobicContact CB-CG2 4.49Å
265E98.2Very high96.3Very high0 Ų020.4 Ų20.40%013%0.132CC..Hα-helixtrans-70.3-29.3-178.3-62.679.2-168.400112.2P183 G262 I263 N268 A269 V336 K339 Y342 T343P183-E265 HydrophobicContact CB-CB 4.13Å; P183-E265 HydrophobicContact CG-CB 3.81Å; G262-E265 VanDerWaalsContact CA-OE2 3.25Å; G262-E265 WeakPolarHBondContact CA-OE2 3.03Å; G262-E265 PolarHBondContact O-N 2.96Å; I263-E265 PolarHBondContact O-N 2.84Å; E265-N268 PolarHBondContact O-N 3.12Å; E265-A269 VanDerWaalsContact O-CB 3.25Å; E265-A269 WeakPolarHBondContact O-CB 3.45Å; E265-A269 PolarHBondContact O-N 2.88Å; E265-V336 HydrophobicContact CB-CG1 4.08Å; E265-K339 WeakPolarHBondContact OE1-CE 3.39Å; E265-K339 IonicContact OE1-NZ 3.57Å; E265-K339 PolarHBondContact OE1-NZ 2.95Å; E265-Y342 HydrophobicContact CB-CD1 4.2Å; E265-Y342 HydrophobicContact CB-CE1 4.44Å; E265-Y342 HydrophobicContact CG-CD1 3.83Å; E265-Y342 HydrophobicContact CG-CE1 4.39Å; E265-T343 VanDerWaalsContact CD-N 3.33Å; E265-T343 WeakPolarHBondContact OE1-CB 3.31Å; E265-T343 PolarHBondContact OE1-N 2.72Å; E265-T343 PolarHBondContact OE1-OG1 3.47Å; E265-T343 PolarHBondContact OE2-N 3.37Å
266T98.5Very high96.2Very high0 Ų020.4 Ų20.40%013%0.132CC..Hα-helixtrans-62.9-44.5173.6-54.60000110.7L182 P183 A186 F196 G262 I263 H264 A269 L270 I289L182-T266 HydrophobicContact CB-CG2 4.16Å; L182-T266 WeakPolarHBondContact CB-OG1 3.46Å; P183-T266 WeakPolarHBondContact CD-OG1 3.22Å; P183-T266 VanDerWaalsContact N-OG1 3.16Å; A186-T266 HydrophobicContact CB-CG2 3.86Å; F196-T266 HydrophobicContact CE2-CG2 3.69Å; F196-T266 HydrophobicContact CZ-CG2 3.86Å; G262-T266 WeakPolarHBondContact O-CB 3.44Å; G262-T266 PolarHBondContact O-N 2.89Å; G262-T266 PolarHBondContact O-OG1 3.47Å; I263-T266 PolarHBondContact O-N 3.44Å; H264-T266 VanDerWaalsContact C-N 3.31Å; H264-T266 PolarHBondContact O-N 3Å; T266-A269 PolarHBondContact O-N 3.5Å; T266-L270 HydrophobicContact CG2-CD1 4.3Å; T266-L270 WeakPolarHBondContact O-CG 3.14Å; T266-L270 PolarHBondContact O-N 3.32Å; T266-L270 VanDerWaalsContact O-N 3.12Å; T266-I289 HydrophobicContact CG2-CD1 3.92Å
267I98.3Very high96.2Very high1 Ų122.5 Ų22.51%0.00514%0.14CC..Hα-helixtrans-66.6-43.4176.9-65.9-57.8000110.9I263 H264 A269 L270 F271 V276 L282 K285 I289I263-I267 HydrophobicContact CG2-CG1 4.49Å; I263-I267 WeakPolarHBondContact O-CG1 3.36Å; I263-I267 PolarHBondContact O-N 3.5Å; H264-I267 PolarHBondContact O-N 3.19Å; I267-A269 VanDerWaalsContact C-N 3.34Å; I267-A269 PolarHBondContact O-N 3.17Å; I267-L270 PolarHBondContact O-N 2.86Å; I267-F271 HydrophobicContact CD1-CD2 4.22Å; I267-F271 HydrophobicContact CD1-CE2 3.94Å; I267-F271 HydrophobicContact CG2-CD2 4.14Å; I267-F271 PolarHBondContact O-N 3.39Å; I267-V276 HydrophobicContact CG2-CB 4.33Å; I267-V276 HydrophobicContact CG2-CG2 4.4Å; I267-L282 HydrophobicContact CG2-CB 4.02Å; I267-L282 HydrophobicContact CG2-CD1 4.36Å; I267-L282 HydrophobicContact CG2-CD2 4.22Å; I267-L282 HydrophobicContact CG2-CG 4.43Å; I267-K285 HydrophobicContact CD1-CB 3.82Å; I267-I289 HydrophobicContact CD1-CD1 4.1Å
268N97.2Very high96.1Very high30 Ų3026.9 Ų26.916%0.1616%0.163CC..Hα-helixtrans-61.6-41.6176.9-67-8000111.9H264 E265 L270 G272 G335 V336H264-N268 PolarHBondContact CE1-ND2 2.82Å; H264-N268 VanDerWaalsContact CE1-ND2 3.33Å; H264-N268 PolarHBondContact NE2-ND2 2.76Å; H264-N268 PolarHBondContact O-N 3.25Å; H264-N268 PolarHBondContact O-OD1 2.99Å; E265-N268 PolarHBondContact O-N 3.12Å; N268-L270 PolarHBondContact O-N 3.1Å; N268-G272 VanDerWaalsContact O-CA 3.28Å; N268-G272 WeakPolarHBondContact O-CA 3.18Å; N268-G272 PolarHBondContact O-N 2.87Å; N268-G335 WeakPolarHBondContact CB-O 3.36Å; N268-G335 PolarHBondContact ND2-O 2.93Å; N268-V336 HydrophobicContact CB-CG2 4.13Å
269A97.8Very high96Very high22 Ų2228.5 Ų28.518%0.18217%0.172CC..Hα-helixtrans-68-31.7178.800000113.4A186 L187 E265 T266 I267 V336A186-A269 HydrophobicContact CB-CB 3.65Å; L187-A269 HydrophobicContact CD2-CB 4.29Å; L187-A269 HydrophobicContact CG-CB 4.45Å; E265-A269 VanDerWaalsContact O-CB 3.25Å; E265-A269 WeakPolarHBondContact O-CB 3.45Å; E265-A269 PolarHBondContact O-N 2.88Å; T266-A269 PolarHBondContact O-N 3.5Å; I267-A269 VanDerWaalsContact C-N 3.34Å; I267-A269 PolarHBondContact O-N 3.17Å; A269-V336 HydrophobicContact CB-CG1 4.34Å; A269-V336 HydrophobicContact CB-CG2 3.85Å
270L97.5Very high95.9Very high12 Ų1236.1 Ų36.16%0.06321%0.208CC..Hα-helixtrans-83.2-45.7-179.9-71.7174.9000113.3A186 A189 G191 F196 T266 I267 N268A186-L270 HydrophobicContact CB-CD1 4.38Å; A186-L270 HydrophobicContact CB-CD2 3.82Å; A186-L270 HydrophobicContact CB-CG 3.67Å; A189-L270 HydrophobicContact CB-CD2 4.22Å; G191-L270 WeakPolarHBondContact CA-O 3.46Å; F196-L270 HydrophobicContact CB-CD1 4.35Å; F196-L270 HydrophobicContact CB-CD2 3.72Å; F196-L270 HydrophobicContact CD1-CD1 3.95Å; F196-L270 HydrophobicContact CD2-CD1 3.9Å; F196-L270 HydrophobicContact CD2-CD2 3.96Å; F196-L270 HydrophobicContact CD2-CG 4.37Å; F196-L270 HydrophobicContact CE1-CD1 4.23Å; F196-L270 HydrophobicContact CE2-CD1 4.16Å; F196-L270 HydrophobicContact CG-CD1 3.78Å; F196-L270 HydrophobicContact CG-CD2 3.91Å; F196-L270 HydrophobicContact CG-CG 4.45Å; F196-L270 HydrophobicContact CZ-CD1 4.32Å; T266-L270 HydrophobicContact CG2-CD1 4.3Å; T266-L270 WeakPolarHBondContact O-CG 3.14Å; T266-L270 PolarHBondContact O-N 3.32Å; T266-L270 VanDerWaalsContact O-N 3.12Å; I267-L270 PolarHBondContact O-N 2.86Å; N268-L270 PolarHBondContact O-N 3.1Å
271F96.5Very high95.8Very high74 Ų7443.5 Ų43.533%0.32524%0.242SC..Hα-helixtrans-114-26.1-167.2-55.3-71.4000112.8E193 I267 L282 K285E193-F271 HydrophobicContact CG-CZ 4.47Å; I267-F271 HydrophobicContact CD1-CD2 4.22Å; I267-F271 HydrophobicContact CD1-CE2 3.94Å; I267-F271 HydrophobicContact CG2-CD2 4.14Å; I267-F271 PolarHBondContact O-N 3.39Å; F271-L282 HydrophobicContact CB-CD2 3.71Å; F271-L282 HydrophobicContact CD2-CD2 3.87Å; F271-L282 HydrophobicContact CG-CD2 3.8Å; F271-K285 HydrophobicContact CE2-CB 3.99Å; F271-K285 HydrophobicContact CE2-CD 4.45Å; F271-K285 HydrophobicContact CE2-CG 4.02Å; F271-K285 HydrophobicContact CZ-CB 4.35Å; F271-K285 HydrophobicContact CZ-CD 3.95Å; F271-K285 HydrophobicContact CZ-CG 3.96Å
272G88Confident95.8Very high33 Ų3344.4 Ų44.434%0.3425%0.247SC..  trans53.8-165-16900000112.7N268N268-G272 VanDerWaalsContact O-CA 3.28Å; N268-G272 WeakPolarHBondContact O-CA 3.18Å; N268-G272 PolarHBondContact O-N 2.87Å
273G82.6Confident95.7Very high87 Ų8747.2 Ų47.290%0.89726%0.258SS*.SBendtrans81.8-121.6170.600000114
274E92Very high95.7Very high112 Ų11249.8 Ų49.852%0.52328%0.279SS..SBendtrans-75150.9-172.7-67.8179.3166.400112.5N279 L282E274-N279 HydrophobicContact CB-CB 4.24Å; E274-N279 PolarHBondContact OE2-ND2 3.16Å; E274-L282 HydrophobicContact CB-CD1 4.43Å; E274-L282 WeakPolarHBondContact O-CD1 3.22Å
275H95.4Very high95.7Very high38 Ų3852.6 Ų52.618%0.17629%0.291CS..  trans-67.9137.9176.2-170-81.5000110.3H264 Y277 D278 N279H264-H275 AromaticContact CE1-CD2 3.44Å; H264-H275 PolarHBondContact CE1-CD2 2.86Å; H264-H275 VanDerWaalsContact CE1-CD2 3.44Å; H264-H275 AromaticContact CE1-NE2 3.16Å; H264-H275 PolarHBondContact CE1-NE2 2.8Å; H264-H275 AromaticContact ND1-NE2 3.59Å; H275-Y277 VanDerWaalsContact ND1-CB 3.29Å; H275-Y277 WeakPolarHBondContact ND1-CB 3.4Å; H275-Y277 PolarHBondContact ND1-N 3.1Å; H275-Y277 VanDerWaalsContact ND1-N 3.16Å; H275-Y277 PolarHBondContact O-N 2.67Å; H275-D278 WeakPolarHBondContact CB-OD2 3.44Å; H275-D278 PolarHBondContact O-N 3.1Å; H275-N279 PolarHBondContact O-N 2.94Å
276V96.1Very high95.7Very high3 Ų352.6 Ų52.62%0.01829%0.291CS..THydrogen-bonded Turntrans-53.3-22.3-179.1670000114.9I267 L282 R283 F362I267-V276 HydrophobicContact CG2-CB 4.33Å; I267-V276 HydrophobicContact CG2-CG2 4.4Å; V276-L282 HydrophobicContact CG2-CB 4.39Å; V276-R283 HydrophobicContact CG2-CB 4.36Å; V276-F362 HydrophobicContact CG1-CE2 4.12Å; V276-F362 HydrophobicContact CG1-CZ 3.79Å; V276-F362 HydrophobicContact CG2-CE2 4.37Å; V276-F362 HydrophobicContact CG2-CZ 4.34Å
277Y96.5Very high95.7Very high44 Ų4454.1 Ų54.117%0.17330%0.299CS..THydrogen-bonded Turntrans-72.3-41.6173.1177.7-91.7000112.5H275 N279 R283 L348 K352 V354 D358 F362H275-Y277 VanDerWaalsContact ND1-CB 3.29Å; H275-Y277 WeakPolarHBondContact ND1-CB 3.4Å; H275-Y277 PolarHBondContact ND1-N 3.1Å; H275-Y277 VanDerWaalsContact ND1-N 3.16Å; H275-Y277 PolarHBondContact O-N 2.67Å; Y277-N279 VanDerWaalsContact C-N 3.3Å; Y277-N279 PolarHBondContact O-N 3.03Å; Y277-R283 PolarHBondContact O-NH2 3.43Å; Y277-L348 HydrophobicContact CD2-CD1 4.03Å; Y277-L348 HydrophobicContact CD2-CD2 4.21Å; Y277-L348 HydrophobicContact CG-CD1 4.27Å; Y277-K352 HydrophobicContact CG-CG 4.36Å; Y277-V354 HydrophobicContact CD1-CG1 4.27Å; Y277-V354 HydrophobicContact CD2-CG1 4.17Å; Y277-V354 HydrophobicContact CE1-CG1 3.82Å; Y277-V354 HydrophobicContact CE2-CG1 3.73Å; Y277-V354 HydrophobicContact CG-CG1 4.42Å; Y277-D358 HydrophobicContact CE2-CB 4.22Å; Y277-D358 VanDerWaalsContact OH-CB 3.32Å; Y277-D358 WeakPolarHBondContact OH-CB 3.47Å; Y277-D358 PolarHBondContact OH-OD2 3.49Å; Y277-D358 VanDerWaalsContact OH-OD2 3.11Å; Y277-F362 HydrophobicContact CD2-CB 4.27Å; Y277-F362 AromaticContact CD2-CD2 3.89Å; Y277-F362 HydrophobicContact CD2-CD2 3.89Å; Y277-F362 HydrophobicContact CD2-CG 4.24Å; Y277-F362 HydrophobicContact CE2-CB 4.5Å
278D96.7Very high95.7Very high92 Ų9255.5 Ų55.549%0.49231%0.311SS..THydrogen-bonded Turntrans-83.8-8.5-174.5-55.4-59000112.8H275 K352H275-D278 WeakPolarHBondContact CB-OD2 3.44Å; H275-D278 PolarHBondContact O-N 3.1Å; D278-K352 IonicContact OD1-NZ 3.2Å; D278-K352 PolarHBondContact OD1-NZ 3.31Å; D278-K352 IonicContact OD2-NZ 3.05Å; D278-K352 PolarHBondContact OD2-NZ 2.93Å
279N96.9Very high95.8Very high34 Ų3454.2 Ų54.218%0.18230%0.304CS..  trans-127.5109.3-174.7-170.9-52.2000111.6E274 H275 Y277 Q281 L282 R283E274-N279 HydrophobicContact CB-CB 4.24Å; E274-N279 PolarHBondContact OE2-ND2 3.16Å; H275-N279 PolarHBondContact O-N 2.94Å; Y277-N279 VanDerWaalsContact C-N 3.3Å; Y277-N279 PolarHBondContact O-N 3.03Å; N279-Q281 VanDerWaalsContact C-N 3.27Å; N279-Q281 PolarHBondContact O-N 3.08Å; N279-Q281 WeakPolarHBondContact OD1-CA 3.45Å; N279-Q281 WeakPolarHBondContact OD1-CB 3.47Å; N279-Q281 PolarHBondContact OD1-N 3.43Å; N279-L282 HydrophobicContact CB-CB 4.07Å; N279-L282 HydrophobicContact CB-CD1 3.95Å; N279-L282 HydrophobicContact CB-CG 3.98Å; N279-L282 PolarHBondContact O-N 3.25Å; N279-L282 PolarHBondContact OD1-N 3.2Å; N279-R283 PolarHBondContact O-N 2.83Å
280E95.8Very high95.8Very high161 Ų16153.2 Ų53.275%0.75230%0.295SS*.Hα-helixtrans-62.1-32.4-179.6-67-175.3169.400113.1R283 A284E280-R283 WeakPolarHBondContact O-CB 3.19Å; E280-R283 PolarHBondContact O-N 3.48Å; E280-A284 WeakPolarHBondContact O-CB 3.37Å; E280-A284 PolarHBondContact O-N 3.46Å
281Q96.9Very high95.9Very high155 Ų15556.6 Ų56.672%0.72431%0.311SS*.Hα-helixtrans-69.5-44.7178.6-59.7178.84.800110.7N279 R283 A284 K285N279-Q281 VanDerWaalsContact C-N 3.27Å; N279-Q281 PolarHBondContact O-N 3.08Å; N279-Q281 WeakPolarHBondContact OD1-CA 3.45Å; N279-Q281 WeakPolarHBondContact OD1-CB 3.47Å; N279-Q281 PolarHBondContact OD1-N 3.43Å; Q281-R283 VanDerWaalsContact C-N 3.29Å; Q281-R283 PolarHBondContact O-N 3.18Å; Q281-A284 PolarHBondContact O-N 2.92Å; Q281-K285 WeakPolarHBondContact O-CG 3.41Å; Q281-K285 PolarHBondContact O-N 2.88Å
282L97.3Very high96Very high19 Ų1957.6 Ų57.610%0.09931%0.313CS..Hα-helixtrans-63.8-37174-65-176.7000111.4I267 F271 E274 V276 N279 K285 G286I267-L282 HydrophobicContact CG2-CB 4.02Å; I267-L282 HydrophobicContact CG2-CD1 4.36Å; I267-L282 HydrophobicContact CG2-CD2 4.22Å; I267-L282 HydrophobicContact CG2-CG 4.43Å; F271-L282 HydrophobicContact CB-CD2 3.71Å; F271-L282 HydrophobicContact CD2-CD2 3.87Å; F271-L282 HydrophobicContact CG-CD2 3.8Å; E274-L282 HydrophobicContact CB-CD1 4.43Å; E274-L282 WeakPolarHBondContact O-CD1 3.22Å; V276-L282 HydrophobicContact CG2-CB 4.39Å; N279-L282 HydrophobicContact CB-CB 4.07Å; N279-L282 HydrophobicContact CB-CD1 3.95Å; N279-L282 HydrophobicContact CB-CG 3.98Å; N279-L282 PolarHBondContact O-N 3.25Å; N279-L282 PolarHBondContact OD1-N 3.2Å; L282-K285 WeakPolarHBondContact O-CB 3.25Å; L282-K285 PolarHBondContact O-N 3.5Å; L282-G286 PolarHBondContact O-N 2.94Å
283R96.7Very high96.5Very high59 Ų5956 Ų5622%0.22330%0.296CS..Hα-helixtrans-61.4-45.3174-163.6-175.1-57.7-171.72.5111.6V276 Y277 N279 E280 Q281 K285 G286 I287 F362V276-R283 HydrophobicContact CG2-CB 4.36Å; Y277-R283 PolarHBondContact O-NH2 3.43Å; N279-R283 PolarHBondContact O-N 2.83Å; E280-R283 WeakPolarHBondContact O-CB 3.19Å; E280-R283 PolarHBondContact O-N 3.48Å; Q281-R283 VanDerWaalsContact C-N 3.29Å; Q281-R283 PolarHBondContact O-N 3.18Å; R283-K285 VanDerWaalsContact C-N 3.29Å; R283-K285 PolarHBondContact O-N 2.97Å; R283-G286 PolarHBondContact O-N 3.15Å; R283-G286 VanDerWaalsContact O-N 3.12Å; R283-I287 WeakPolarHBondContact O-CG1 3.43Å; R283-I287 PolarHBondContact O-N 3.08Å; R283-F362 HydrophobicContact CG-CD2 4.42Å; R283-F362 HydrophobicContact CG-CE2 4.01Å
284A97.7Very high97.3Very high57 Ų5754.4 Ų54.447%0.47126%0.263SS..Hα-helixtrans-61.2-36.817600000112.1E280 Q281 I287 A288E280-A284 WeakPolarHBondContact O-CB 3.37Å; E280-A284 PolarHBondContact O-N 3.46Å; Q281-A284 PolarHBondContact O-N 2.92Å; A284-I287 PolarHBondContact O-N 2.66Å; A284-A288 WeakPolarHBondContact O-CB 3.33Å; A284-A288 PolarHBondContact O-N 3.13Å
285K97.8Very high97.6Very high71 Ų7154.2 Ų54.231%0.30926%0.262SS..Hα-helixtrans-61.8-43.2172.4-64.9-70.1-173.5172.10111.9E193 I267 F271 Q281 L282 R283 I287 A288 I289E193-K285 IonicContact OE1-NZ 3.88Å; E193-K285 PolarHBondContact OE1-NZ 3.33Å; E193-K285 IonicContact OE2-NZ 2.92Å; E193-K285 PolarHBondContact OE2-NZ 3.47Å; I267-K285 HydrophobicContact CD1-CB 3.82Å; F271-K285 HydrophobicContact CE2-CB 3.99Å; F271-K285 HydrophobicContact CE2-CD 4.45Å; F271-K285 HydrophobicContact CE2-CG 4.02Å; F271-K285 HydrophobicContact CZ-CB 4.35Å; F271-K285 HydrophobicContact CZ-CD 3.95Å; F271-K285 HydrophobicContact CZ-CG 3.96Å; Q281-K285 WeakPolarHBondContact O-CG 3.41Å; Q281-K285 PolarHBondContact O-N 2.88Å; L282-K285 WeakPolarHBondContact O-CB 3.25Å; L282-K285 PolarHBondContact O-N 3.5Å; R283-K285 VanDerWaalsContact C-N 3.29Å; R283-K285 PolarHBondContact O-N 2.97Å; K285-I287 VanDerWaalsContact C-N 3.35Å; K285-I287 PolarHBondContact O-N 2.88Å; K285-A288 PolarHBondContact O-N 3.07Å; K285-I289 WeakPolarHBondContact O-CG1 3.36Å; K285-I289 PolarHBondContact O-N 3.21Å
286G97.9Very high97.7Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-60.2-43.1175.800000112.8L282 R283 I289 V290L282-G286 PolarHBondContact O-N 2.94Å; R283-G286 PolarHBondContact O-N 3.15Å; R283-G286 VanDerWaalsContact O-N 3.12Å; G286-I289 PolarHBondContact O-N 3.32Å; G286-V290 PolarHBondContact O-N 3.12Å
287I98.5Very high97.8Very high33 Ų3352.9 Ų52.917%0.16926%0.258CS..Hα-helixtrans-63.1-46.3175.6-66.5168.8000110.8R283 A284 K285 I289 V290 E291 P365 Y366 L369R283-I287 WeakPolarHBondContact O-CG1 3.43Å; R283-I287 PolarHBondContact O-N 3.08Å; A284-I287 PolarHBondContact O-N 2.66Å; K285-I287 VanDerWaalsContact C-N 3.35Å; K285-I287 PolarHBondContact O-N 2.88Å; I287-I289 PolarHBondContact O-N 3.49Å; I287-V290 PolarHBondContact O-N 3.36Å; I287-E291 HydrophobicContact CG2-CG 4.2Å; I287-E291 WeakPolarHBondContact O-CG 3.26Å; I287-E291 PolarHBondContact O-N 3.1Å; I287-P365 HydrophobicContact CD1-CB 3.83Å; I287-P365 HydrophobicContact CD1-CG 4.2Å; I287-P365 HydrophobicContact CG1-CB 4.32Å; I287-Y366 HydrophobicContact CG1-CE1 3.93Å; I287-L369 HydrophobicContact CG2-CD1 3.88Å
288A98.6Very high97.9Very high30 Ų3053.2 Ų53.225%0.24826%0.263CS..Hα-helixtrans-58.4-34.7-179.900000112.9W197 A284 K285 E291 R292W197-A288 HydrophobicContact CH2-CB 4.23Å; W197-A288 HydrophobicContact CZ2-CB 4.47Å; A284-A288 WeakPolarHBondContact O-CB 3.33Å; A284-A288 PolarHBondContact O-N 3.13Å; K285-A288 PolarHBondContact O-N 3.07Å; A288-E291 PolarHBondContact O-N 3.32Å; A288-R292 PolarHBondContact O-N 3.23Å
289I98.7Very high97.9Very high3 Ų354.5 Ų54.52%0.01526%0.264CS..Hα-helixtrans-62-48.4174.5-65.2168.4000109.9L182 F196 W197 L200 I263 T266 I267 K285 G286 I287 E291 R292 L293L182-I289 HydrophobicContact CD1-CG2 4.05Å; L182-I289 HydrophobicContact CD2-CG2 4.41Å; F196-I289 HydrophobicContact CE1-CD1 3.97Å; F196-I289 HydrophobicContact CE1-CG1 3.87Å; F196-I289 HydrophobicContact CZ-CD1 3.85Å; F196-I289 HydrophobicContact CZ-CG1 4.08Å; F196-I289 HydrophobicContact CZ-CG2 4.37Å; W197-I289 HydrophobicContact CH2-CB 4.4Å; W197-I289 HydrophobicContact CH2-CG1 3.78Å; W197-I289 HydrophobicContact CZ2-CG1 4.39Å; W197-I289 HydrophobicContact CZ3-CG1 4.35Å; L200-I289 HydrophobicContact CD2-CG2 4.47Å; I263-I289 HydrophobicContact CD1-CB 4.24Å; I263-I289 HydrophobicContact CD1-CG2 3.98Å; T266-I289 HydrophobicContact CG2-CD1 3.92Å; I267-I289 HydrophobicContact CD1-CD1 4.1Å; K285-I289 WeakPolarHBondContact O-CG1 3.36Å; K285-I289 PolarHBondContact O-N 3.21Å; G286-I289 PolarHBondContact O-N 3.32Å; I287-I289 PolarHBondContact O-N 3.49Å; I289-E291 VanDerWaalsContact C-N 3.34Å; I289-E291 PolarHBondContact O-N 3.36Å; I289-R292 PolarHBondContact O-N 3.25Å; I289-L293 WeakPolarHBondContact O-CG 3.4Å; I289-L293 PolarHBondContact O-N 2.9Å; I289-L293 VanDerWaalsContact O-N 3.1Å
290V98.7Very high98Very high0 Ų053.5 Ų53.50%026%0.258CS..Hα-helixtrans-67.1-35.8-179.7-174.90000111.3Y260 I263 G286 I287 L293 R294 L310 Y366 L369Y260-V290 HydrophobicContact CE2-CG2 3.93Å; I263-V290 HydrophobicContact CD1-CG2 3.74Å; I263-V290 HydrophobicContact CG1-CG2 4.21Å; G286-V290 PolarHBondContact O-N 3.12Å; I287-V290 PolarHBondContact O-N 3.36Å; V290-L293 PolarHBondContact O-N 3.39Å; V290-R294 WeakPolarHBondContact O-CB 3.25Å; V290-R294 PolarHBondContact O-N 3.08Å; V290-L310 HydrophobicContact CG1-CD2 3.62Å; V290-Y366 HydrophobicContact CB-CD1 4.27Å; V290-Y366 HydrophobicContact CG1-CD1 4.44Å; V290-Y366 HydrophobicContact CG2-CD1 3.81Å; V290-Y366 HydrophobicContact CG2-CE1 3.96Å; V290-L369 HydrophobicContact CB-CD1 4.17Å; V290-L369 HydrophobicContact CG1-CB 3.67Å; V290-L369 HydrophobicContact CG1-CD1 4.1Å
291E98.6Very high98Very high84 Ų8450.4 Ų50.439%0.39324%0.242SC..Hα-helixtrans-60.6-44.7172-71.5179.4166.500112.1I287 A288 I289 L293 R294 Q295 L369I287-E291 HydrophobicContact CG2-CG 4.2Å; I287-E291 WeakPolarHBondContact O-CG 3.26Å; I287-E291 PolarHBondContact O-N 3.1Å; A288-E291 PolarHBondContact O-N 3.32Å; I289-E291 VanDerWaalsContact C-N 3.34Å; I289-E291 PolarHBondContact O-N 3.36Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 3.14Å; E291-R294 WeakPolarHBondContact O-CB 3.39Å; E291-R294 PolarHBondContact O-N 3.26Å; E291-R294 VanDerWaalsContact O-N 3.14Å; E291-Q295 WeakPolarHBondContact O-CG 3.43Å; E291-Q295 PolarHBondContact O-N 3.21Å; E291-L369 HydrophobicContact CG-CD1 3.6Å; E291-L369 HydrophobicContact CG-CD2 3.77Å; E291-L369 HydrophobicContact CG-CG 4.33Å
292R98.6Very high98Very high95 Ų9550.8 Ų50.836%0.35824%0.244SC..Hα-helixtrans-61.2-41.7176.6-174.461.1168.9-173-7.6111.7W197 L200 D201 A288 I289 R294 Q295 A296W197-R292 HydrophobicContact CE3-CG 4.23Å; W197-R292 HydrophobicContact CZ3-CB 3.73Å; W197-R292 HydrophobicContact CZ3-CG 3.92Å; L200-R292 HydrophobicContact CD2-CB 4.47Å; L200-R292 HydrophobicContact CD2-CG 4.12Å; D201-R292 VanDerWaalsContact CG-NH2 3.33Å; D201-R292 IonicContact OD1-CZ 2.82Å; D201-R292 IonicContact OD1-NE 3.45Å; D201-R292 PolarHBondContact OD1-NE 2.85Å; D201-R292 IonicContact OD1-NH2 3.53Å; D201-R292 PolarHBondContact OD1-NH2 3.32Å; D201-R292 IonicContact OD2-CZ 2.67Å; D201-R292 IonicContact OD2-NE 3.51Å; D201-R292 IonicContact OD2-NH2 3.94Å; D201-R292 PolarHBondContact OD2-NH2 3.1Å; A288-R292 PolarHBondContact O-N 3.23Å; I289-R292 PolarHBondContact O-N 3.25Å; R292-R294 VanDerWaalsContact C-N 3.33Å; R292-Q295 PolarHBondContact O-N 3.24Å; R292-A296 PolarHBondContact O-N 2.85Å; R292-A296 VanDerWaalsContact O-N 3.15Å
293L98.8Very high98Very high0 Ų054.7 Ų54.70%026%0.261CS..Hα-helixtrans-63.6-39.9174.5-62.5179.5000111.7L180 L182 L200 L204 L258 Y260 I289 V290 E291 A296 V297 L310L180-L293 HydrophobicContact CD1-CD2 3.63Å; L182-L293 HydrophobicContact CD1-CD1 4.36Å; L182-L293 HydrophobicContact CD2-CD1 4.36Å; L200-L293 HydrophobicContact CD1-CD2 4.01Å; L204-L293 HydrophobicContact CD1-CD2 4.39Å; L204-L293 HydrophobicContact CD2-CD2 3.8Å; L204-L293 HydrophobicContact CG-CD2 4.35Å; L258-L293 HydrophobicContact CD2-CD2 4.35Å; Y260-L293 HydrophobicContact CD1-CD1 4.23Å; Y260-L293 HydrophobicContact CD2-CD1 4.42Å; Y260-L293 HydrophobicContact CG-CD1 3.92Å; I289-L293 WeakPolarHBondContact O-CG 3.4Å; I289-L293 PolarHBondContact O-N 2.9Å; I289-L293 VanDerWaalsContact O-N 3.1Å; V290-L293 PolarHBondContact O-N 3.39Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 3.14Å; L293-A296 PolarHBondContact O-N 3.24Å; L293-V297 PolarHBondContact O-N 2.72Å; L293-L310 HydrophobicContact CB-CD1 3.64Å; L293-L310 HydrophobicContact CB-CD2 3.84Å; L293-L310 HydrophobicContact CB-CG 4.42Å; L293-L310 HydrophobicContact CD1-CD1 4.13Å
294R98.3Very high98Very high53 Ų5353.7 Ų53.720%0.226%0.262CS..Hα-helixtrans-64.7-46.9177.8177.252.4-174.6-75.3-12.3111.5V290 E291 R292 A296 V297 D298 L310 P368 L369 N371V290-R294 WeakPolarHBondContact O-CB 3.25Å; V290-R294 PolarHBondContact O-N 3.08Å; E291-R294 WeakPolarHBondContact O-CB 3.39Å; E291-R294 PolarHBondContact O-N 3.26Å; E291-R294 VanDerWaalsContact O-N 3.14Å; R292-R294 VanDerWaalsContact C-N 3.33Å; R294-A296 PolarHBondContact O-N 3.38Å; R294-V297 WeakPolarHBondContact O-CG2 3.47Å; R294-V297 PolarHBondContact O-N 3.07Å; R294-D298 IonicContact CZ-OD1 2.95Å; R294-D298 IonicContact CZ-OD2 2.63Å; R294-D298 IonicContact NE-OD1 2.81Å; R294-D298 PolarHBondContact NE-OD1 3.21Å; R294-D298 IonicContact NE-OD2 3.79Å; R294-D298 PolarHBondContact NE-OD2 3.08Å; R294-D298 IonicContact NH2-OD1 2.63Å; R294-D298 IonicContact NH2-OD2 2.62Å; R294-D298 PolarHBondContact NH2-OD2 3.38Å; R294-D298 PolarHBondContact O-N 2.91Å; R294-L310 HydrophobicContact CB-CD2 4.14Å; R294-P368 PolarHBondContact NH1-O 2.76Å; R294-L369 VanDerWaalsContact CD-O 3.28Å; R294-L369 WeakPolarHBondContact CD-O 3.12Å; R294-L369 PolarHBondContact NH1-O 3.37Å; R294-L369 VanDerWaalsContact NH1-O 3.15Å; R294-N371 PolarHBondContact NH1-ND2 3.07Å
295Q98.5Very high97.8Very high107 Ų10752.5 Ų52.550%0.526%0.255SS..Hα-helixtrans-56.6-38.9175.7-70.5167.98.200111.9E291 R292 K299E291-Q295 WeakPolarHBondContact O-CG 3.43Å; E291-Q295 PolarHBondContact O-N 3.21Å; R292-Q295 PolarHBondContact O-N 3.24Å; Q295-K299 WeakPolarHBondContact O-CB 3.47Å; Q295-K299 PolarHBondContact O-N 3.48Å
296A98.6Very high97.7Very high14 Ų1450.1 Ų50.112%0.11624%0.244CC..Hα-helixtrans-64.2-47.7177.900000112.4L204 R292 L293 R294 K299 W300L204-A296 HydrophobicContact CD1-CB 3.9Å; L204-A296 HydrophobicContact CD2-CB 3.87Å; L204-A296 HydrophobicContact CG-CB 4.44Å; R292-A296 PolarHBondContact O-N 2.85Å; R292-A296 VanDerWaalsContact O-N 3.15Å; L293-A296 PolarHBondContact O-N 3.24Å; R294-A296 PolarHBondContact O-N 3.38Å; A296-K299 PolarHBondContact O-N 2.81Å; A296-W300 HydrophobicContact CB-CH2 4.44Å; A296-W300 HydrophobicContact CB-CZ2 3.96Å; A296-W300 VanDerWaalsContact O-CD2 3.28Å; A296-W300 PolarHBondContact O-N 3.44Å; A296-W300 PolarHBondContact O-NE1 2.77Å
297V98.2Very high97.6Very high0 Ų050.6 Ų50.60%025%0.249CC..Hα-helixtrans-68.3-35.3179.4-63.60000112.7L258 L293 R294 W300 K301 F308 L310L258-V297 HydrophobicContact CB-CG1 3.58Å; L258-V297 HydrophobicContact CD2-CG1 3.72Å; L258-V297 HydrophobicContact CG-CG1 4.31Å; L293-V297 PolarHBondContact O-N 2.72Å; R294-V297 WeakPolarHBondContact O-CG2 3.47Å; R294-V297 PolarHBondContact O-N 3.07Å; V297-W300 HydrophobicContact CG1-CE3 4.04Å; V297-W300 HydrophobicContact CG1-CZ3 3.99Å; V297-W300 PolarHBondContact O-N 2.97Å; V297-K301 WeakPolarHBondContact O-CB 3.49Å; V297-K301 PolarHBondContact O-N 3.14Å; V297-F308 HydrophobicContact CB-CB 4.1Å; V297-F308 WeakPolarHBondContact O-CB 3.39Å; V297-L310 HydrophobicContact CG2-CB 4.09Å
298D97.7Very high97.6Very high51 Ų5149.3 Ų49.327%0.27324%0.242SC..Hα-helixtrans-64.3-45.5175.7-73.7-17.6000110.4R294 W300 K301 E302R294-D298 IonicContact CZ-OD1 2.95Å; R294-D298 IonicContact CZ-OD2 2.63Å; R294-D298 IonicContact NE-OD1 2.81Å; R294-D298 PolarHBondContact NE-OD1 3.21Å; R294-D298 IonicContact NE-OD2 3.79Å; R294-D298 PolarHBondContact NE-OD2 3.08Å; R294-D298 IonicContact NH2-OD1 2.63Å; R294-D298 IonicContact NH2-OD2 2.62Å; R294-D298 PolarHBondContact NH2-OD2 3.38Å; R294-D298 PolarHBondContact O-N 2.91Å; D298-W300 VanDerWaalsContact C-N 3.34Å; D298-W300 PolarHBondContact O-N 2.98Å; D298-K301 WeakPolarHBondContact O-CB 3.2Å; D298-K301 PolarHBondContact O-N 3.16Å; D298-E302 PolarHBondContact O-N 3.27Å
299K98.3Very high97.5Very high119 Ų11948.3 Ų48.352%0.51723%0.233SC..Hα-helixtrans-58.2-43.6173.1178.3174.5175.8175.10112.3Q295 A296 K301 E302 E303Q295-K299 WeakPolarHBondContact O-CB 3.47Å; Q295-K299 PolarHBondContact O-N 3.48Å; A296-K299 PolarHBondContact O-N 2.81Å; K299-K301 VanDerWaalsContact C-N 3.33Å; K299-K301 PolarHBondContact O-N 2.91Å; K299-E302 PolarHBondContact O-N 2.89Å; K299-E303 WeakPolarHBondContact CE-OE1 3.4Å; K299-E303 HydrophobicContact CG-CG 4.42Å; K299-E303 WeakPolarHBondContact CG-OE1 3.3Å; K299-E303 IonicContact NZ-OE1 3.6Å; K299-E303 WeakPolarHBondContact O-CB 2.98Å; K299-E303 VanDerWaalsContact O-CG 3.31Å; K299-E303 WeakPolarHBondContact O-CG 3.47Å; K299-E303 PolarHBondContact O-N 2.93Å
300W98.1Very high97.5Very high13 Ų1348.2 Ų48.25%0.04923%0.233CC..Hα-helixtrans-67.5-34.8178.8-56.6-18000112.5L204 R208 L211 L258 A296 V297 D298 E303 T304 F308L204-W300 HydrophobicContact CB-CH2 4.49Å; L204-W300 HydrophobicContact CB-CZ2 4.12Å; L204-W300 HydrophobicContact CD2-CH2 3.76Å; L204-W300 HydrophobicContact CD2-CZ2 4.01Å; L204-W300 WeakPolarHBondContact O-CZ2 3.26Å; R208-W300 HydrophobicContact CB-CD2 4.12Å; R208-W300 HydrophobicContact CB-CE3 4.36Å; R208-W300 HydrophobicContact CB-CH2 3.98Å; R208-W300 HydrophobicContact CB-CZ2 3.73Å; R208-W300 HydrophobicContact CB-CZ3 4.29Å; R208-W300 HydrophobicContact CG-CD2 3.86Å; R208-W300 HydrophobicContact CG-CE3 4.3Å; R208-W300 HydrophobicContact CG-CG 4.1Å; R208-W300 HydrophobicContact CG-CZ2 4.36Å; L211-W300 HydrophobicContact CD1-CZ3 4.2Å; L258-W300 HydrophobicContact CB-CZ3 4.29Å; L258-W300 HydrophobicContact CD1-CH2 4.31Å; L258-W300 HydrophobicContact CD1-CZ3 4.29Å; L258-W300 HydrophobicContact CD2-CH2 3.94Å; L258-W300 HydrophobicContact CD2-CZ3 3.96Å; L258-W300 HydrophobicContact CG-CZ3 4.41Å; A296-W300 HydrophobicContact CB-CH2 4.44Å; A296-W300 HydrophobicContact CB-CZ2 3.96Å; A296-W300 VanDerWaalsContact O-CD2 3.28Å; A296-W300 PolarHBondContact O-N 3.44Å; A296-W300 PolarHBondContact O-NE1 2.77Å; V297-W300 HydrophobicContact CG1-CE3 4.04Å; V297-W300 HydrophobicContact CG1-CZ3 3.99Å; V297-W300 PolarHBondContact O-N 2.97Å; D298-W300 VanDerWaalsContact C-N 3.34Å; D298-W300 PolarHBondContact O-N 2.98Å; W300-E303 PolarHBondContact O-N 3.3Å; W300-T304 WeakPolarHBondContact O-CB 3.49Å; W300-T304 WeakPolarHBondContact O-CG2 3.46Å; W300-T304 PolarHBondContact O-N 2.7Å; W300-T304 PolarHBondContact O-OG1 2.75Å; W300-F308 HydrophobicContact CB-CB 4.33Å; W300-F308 HydrophobicContact CB-CD1 4.26Å; W300-F308 HydrophobicContact CB-CD2 3.81Å; W300-F308 HydrophobicContact CB-CE2 4.16Å; W300-F308 HydrophobicContact CB-CG 3.87Å; W300-F308 AromaticContact CE3-CD1 3.59Å; W300-F308 HydrophobicContact CE3-CD1 3.59Å; W300-F308 AromaticContact CE3-CE1 3.87Å; W300-F308 HydrophobicContact CE3-CE1 3.87Å; W300-F308 HydrophobicContact CE3-CG 4.26Å; W300-F308 HydrophobicContact CZ3-CD1 4.36Å
301K96.4Very high97.5Very high95 Ų9549.2 Ų49.241%0.41324%0.237SC..Hα-helixtrans-61.4-47.2174.1178.4177.8179.7-172.70110.8V297 D298 K299 G305 Y306 F308V297-K301 WeakPolarHBondContact O-CB 3.49Å; V297-K301 PolarHBondContact O-N 3.14Å; D298-K301 WeakPolarHBondContact O-CB 3.2Å; D298-K301 PolarHBondContact O-N 3.16Å; K299-K301 VanDerWaalsContact C-N 3.33Å; K299-K301 PolarHBondContact O-N 2.91Å; K301-G305 WeakPolarHBondContact O-CA 3.31Å; K301-G305 PolarHBondContact O-N 2.74Å; K301-Y306 WeakPolarHBondContact CA-O 3.42Å; K301-Y306 WeakPolarHBondContact CG-O 3.46Å; K301-F308 HydrophobicContact CB-CB 4.27Å
302E96.4Very high97.5Very high164 Ų16445.2 Ų45.277%0.76622%0.218SC*.Hα-helixtrans-61.9-44.9176.2-70.1174.1-176.500112.2D298 K299 T304D298-E302 PolarHBondContact O-N 3.27Å; K299-E302 PolarHBondContact O-N 2.89Å; E302-T304 PolarHBondContact O-N 2.67Å
303E97.1Very high97.3Very high100 Ų10041.3 Ų41.347%0.46721%0.205SC..Hα-helixtrans-72.2-27.4-176.3-73.4176.3177.500114.2R208 K299 W300R208-E303 IonicContact CZ-OE2 2.63Å; R208-E303 IonicContact NH1-OE2 2.62Å; R208-E303 PolarHBondContact NH1-OE2 3.02Å; R208-E303 IonicContact NH2-OE2 2.74Å; R208-E303 PolarHBondContact NH2-OE2 3.13Å; K299-E303 WeakPolarHBondContact CE-OE1 3.4Å; K299-E303 HydrophobicContact CG-CG 4.42Å; K299-E303 WeakPolarHBondContact CG-OE1 3.3Å; K299-E303 IonicContact NZ-OE1 3.6Å; K299-E303 WeakPolarHBondContact O-CB 2.98Å; K299-E303 VanDerWaalsContact O-CG 3.31Å; K299-E303 WeakPolarHBondContact O-CG 3.47Å; K299-E303 PolarHBondContact O-N 2.93Å; W300-E303 PolarHBondContact O-N 3.3Å
304T95.8Very high96.7Very high39 Ų3942 Ų4224%0.23921%0.21CC..Hα-helixtrans-117.3-16.9-170.3680000114.3M212 W300 E302 Y306 F308M212-T304 HydrophobicContact CE-CG2 4.48Å; M212-T304 HydrophobicContact SD-CG2 4.19Å; W300-T304 WeakPolarHBondContact O-CB 3.49Å; W300-T304 WeakPolarHBondContact O-CG2 3.46Å; W300-T304 PolarHBondContact O-N 2.7Å; W300-T304 PolarHBondContact O-OG1 2.75Å; E302-T304 PolarHBondContact O-N 2.67Å; T304-Y306 PolarHBondContact O-N 2.84Å; T304-Y306 PolarHBondContact OG1-N 2.87Å; T304-F308 HydrophobicContact CG2-CE2 4.34Å; T304-F308 VanDerWaalsContact OG1-CE2 3.31Å; T304-F308 WeakPolarHBondContact OG1-CE2 3.27Å
305G94.2Very high95.9Very high31 Ų3139.9 Ų39.932%0.3220%0.202SC..  trans72.1-2.8-172.800000115N251 G252 K301N251-G305 CarbonylContact C-O 3.56Å; N251-G305 VanDerWaalsContact CA-O 3.31Å; N251-G305 WeakPolarHBondContact CA-O 3.48Å; N251-G305 PolarHBondContact N-O 3.04Å; G252-G305 PolarHBondContact N-O 2.89Å; K301-G305 WeakPolarHBondContact O-CA 3.31Å; K301-G305 PolarHBondContact O-N 2.74Å
306Y95.7Very high94.7Very high22 Ų2237.9 Ų37.99%0.08619%0.193CC..SBendtrans-82.3150.9174.3-73.6-78.6000111.7L175 I215 K250 K301 T304 F308L175-Y306 HydrophobicContact CD1-CD1 4.38Å; I215-Y306 HydrophobicContact CD1-CD1 4.1Å; I215-Y306 HydrophobicContact CD1-CD2 3.94Å; I215-Y306 HydrophobicContact CD1-CE1 4.41Å; I215-Y306 HydrophobicContact CD1-CE2 4.26Å; I215-Y306 HydrophobicContact CD1-CG 3.85Å; I215-Y306 HydrophobicContact CG2-CE1 3.88Å; I215-Y306 HydrophobicContact CG2-CE2 3.83Å; I215-Y306 VanDerWaalsContact CG2-CZ 3.43Å; I215-Y306 WeakPolarHBondContact CG2-OH 3.24Å; K250-Y306 HydrophobicContact CG-CE1 4.08Å; K301-Y306 WeakPolarHBondContact CA-O 3.42Å; K301-Y306 WeakPolarHBondContact CG-O 3.46Å; T304-Y306 PolarHBondContact O-N 2.84Å; T304-Y306 PolarHBondContact OG1-N 2.87Å; Y306-F308 PolarHBondContact O-N 3.46Å
307G96.1Very high93.7Very high9 Ų943.6 Ų43.69%0.09322%0.222CC..EExtended strand (participates in β ladder)trans-74.457.4-177.700000114.4A254 S255 I256 S309A254-G307 PolarHBondContact O-N 2.75Å; S255-G307 CarbonylContact C-O 3.02Å; S255-G307 VanDerWaalsContact CA-O 3.24Å; S255-G307 WeakPolarHBondContact CA-O 3.36Å; I256-G307 PolarHBondContact N-O 3.07Å; G307-S309 PolarHBondContact O-N 2.72Å
308F97.9Very high93.1Very high6 Ų645.2 Ų45.23%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-57.8135.8173.7-77.4-87.6000110.7L211 M212 I215 I256 V297 W300 K301 T304 Y306L211-F308 HydrophobicContact CB-CE1 3.91Å; L211-F308 HydrophobicContact CB-CZ 4.47Å; L211-F308 HydrophobicContact CD1-CD1 4.22Å; L211-F308 HydrophobicContact CD1-CE1 3.8Å; L211-F308 HydrophobicContact CG-CE1 4.47Å; M212-F308 HydrophobicContact CG-CZ 4.47Å; M212-F308 HydrophobicContact SD-CE2 4.05Å; M212-F308 HydrophobicContact SD-CZ 3.68Å; I215-F308 HydrophobicContact CD1-CZ 4.38Å; I256-F308 HydrophobicContact CD1-CE1 4.48Å; I256-F308 HydrophobicContact CG1-CE1 4.47Å; I256-F308 HydrophobicContact CG2-CB 4.25Å; I256-F308 HydrophobicContact CG2-CD1 3.47Å; I256-F308 VanDerWaalsContact CG2-CD1 3.47Å; I256-F308 HydrophobicContact CG2-CD2 3.82Å; I256-F308 HydrophobicContact CG2-CE1 3.62Å; I256-F308 HydrophobicContact CG2-CE2 3.94Å; I256-F308 HydrophobicContact CG2-CG 3.57Å; I256-F308 HydrophobicContact CG2-CZ 3.85Å; I256-F308 CarbonylContact O-C 3.53Å; I256-F308 WeakPolarHBondContact O-CA 3.33Å; V297-F308 HydrophobicContact CB-CB 4.1Å; V297-F308 WeakPolarHBondContact O-CB 3.39Å; W300-F308 HydrophobicContact CB-CB 4.33Å; W300-F308 HydrophobicContact CB-CD1 4.26Å; W300-F308 HydrophobicContact CB-CD2 3.81Å; W300-F308 HydrophobicContact CB-CE2 4.16Å; W300-F308 HydrophobicContact CB-CG 3.87Å; W300-F308 AromaticContact CE3-CD1 3.59Å; W300-F308 HydrophobicContact CE3-CD1 3.59Å; W300-F308 AromaticContact CE3-CE1 3.87Å; W300-F308 HydrophobicContact CE3-CE1 3.87Å; W300-F308 HydrophobicContact CE3-CG 4.26Å; W300-F308 HydrophobicContact CZ3-CD1 4.36Å; K301-F308 HydrophobicContact CB-CB 4.27Å; T304-F308 HydrophobicContact CG2-CE2 4.34Å; T304-F308 VanDerWaalsContact OG1-CE2 3.31Å; T304-F308 WeakPolarHBondContact OG1-CE2 3.27Å; Y306-F308 PolarHBondContact O-N 3.46Å
309S97.4Very high92.6Very high10 Ų1043.5 Ų43.57%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-150.2150.1-178.260.10000111.1I256 S257 L258 G307I256-S309 PolarHBondContact O-N 2.85Å; I256-S309 PolarHBondContact O-OG 2.79Å; S257-S309 WeakPolarHBondContact CA-O 3.46Å; L258-S309 PolarHBondContact N-O 3.23Å; G307-S309 PolarHBondContact O-N 2.72Å
310L98.5Very high92Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-86.8126.9179-175.863.1000109.7L258 Y260 V290 L293 R294 V297 A370 G372 G373L258-L310 HydrophobicContact CB-CD1 4.5Å; L258-L310 HydrophobicContact CD2-CD1 4.24Å; L258-L310 HydrophobicContact CG-CD1 4.39Å; Y260-L310 HydrophobicContact CD1-CD1 3.74Å; Y260-L310 HydrophobicContact CD1-CG 4.09Å; Y260-L310 HydrophobicContact CE1-CD1 4.08Å; Y260-L310 HydrophobicContact CE1-CD2 4.18Å; Y260-L310 HydrophobicContact CE1-CG 3.9Å; V290-L310 HydrophobicContact CG1-CD2 3.62Å; L293-L310 HydrophobicContact CB-CD1 3.64Å; L293-L310 HydrophobicContact CB-CD2 3.84Å; L293-L310 HydrophobicContact CB-CG 4.42Å; L293-L310 HydrophobicContact CD1-CD1 4.13Å; R294-L310 HydrophobicContact CB-CD2 4.14Å; V297-L310 HydrophobicContact CG2-CB 4.09Å; L310-A370 HydrophobicContact CD2-CB 4.21Å; L310-A370 HydrophobicContact CG-CB 4.19Å; L310-A370 CarbonylContact O-C 3.54Å; L310-G372 CarbonylContact O-C 3.59Å; L310-G372 WeakPolarHBondContact O-CA 3.25Å; L310-G372 PolarHBondContact O-N 3.46Å; L310-G373 PolarHBondContact O-N 3.06Å
311Y98.3Very high91.7Very high22 Ų2246.8 Ų46.89%0.08624%0.237CC..EExtended strand (participates in β ladder)trans-121.4119.5-169.4-179.2-110.1000111.3R154 V177 L258 G259 Y260 T313 P314R154-Y311 HydrophobicContact CG-CE2 4.29Å; V177-Y311 HydrophobicContact CG1-CD1 3.73Å; V177-Y311 HydrophobicContact CG1-CE1 4.15Å; V177-Y311 HydrophobicContact CG2-CD1 4.19Å; V177-Y311 HydrophobicContact CG2-CE1 4.1Å; L258-Y311 PolarHBondContact O-N 3.17Å; G259-Y311 CarbonylContact C-O 3.46Å; G259-Y311 WeakPolarHBondContact CA-O 3.38Å; Y260-Y311 WeakPolarHBondContact CD1-O 3.45Å; Y260-Y311 PolarHBondContact N-O 3.25Å; Y260-Y311 VanDerWaalsContact N-O 3.17Å; Y311-T313 HydrophobicContact CE1-CG2 4.49Å; Y311-T313 PolarHBondContact O-N 2.93Å; Y311-T313 VanDerWaalsContact O-N 3.11Å; Y311-P314 VanDerWaalsContact CE1-CD 3.41Å; Y311-P314 HydrophobicContact CE1-CG 4.47Å; Y311-P314 VanDerWaalsContact CZ-CD 3.46Å; Y311-P314 WeakPolarHBondContact OH-CD 3.45Å; Y311-P314 VanDerWaalsContact OH-CG 3.25Å; Y311-P314 WeakPolarHBondContact OH-CG 3.49Å
312S97.8Very high91.6Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-72.5103.9170.1-54.70000108.1R154 P314 S345 F346 A370 G373R154-S312 PolarHBondContact NE-O 2.84Å; R154-S312 VanDerWaalsContact NH2-C 3.25Å; R154-S312 PolarHBondContact NH2-O 3.27Å; S312-P314 WeakPolarHBondContact O-CD 3.38Å; S312-S345 VanDerWaalsContact CB-CB 3.49Å; S312-F346 WeakPolarHBondContact OG-CD1 3.37Å; S312-F346 VanDerWaalsContact OG-CE1 3.22Å; S312-F346 WeakPolarHBondContact OG-CE1 3.11Å; S312-A370 WeakPolarHBondContact OG-CB 3.22Å; S312-G373 WeakPolarHBondContact CB-O 3.37Å; S312-G373 PolarHBondContact N-O 3Å; S312-G373 PolarHBondContact OG-O 3.38Å
313T94.8Very high91.4Very high12 Ų1235.6 Ų35.67%0.07419%0.186CC..  trans-68.6122.2-170.8-48.70000111.7R154 S179 G259 Y260 Y311 S315 L318 N344R154-T313 PolarHBondContact NH2-O 3.47Å; S179-T313 WeakPolarHBondContact OG-CG2 3.4Å; S179-T313 PolarHBondContact OG-OG1 3.38Å; G259-T313 WeakPolarHBondContact CA-OG1 3.13Å; Y260-T313 PolarHBondContact N-OG1 3.22Å; Y260-T313 WeakPolarHBondContact O-CB 3.33Å; Y260-T313 PolarHBondContact O-N 3.1Å; Y260-T313 PolarHBondContact O-OG1 3.21Å; Y260-T313 VanDerWaalsContact O-OG1 3.12Å; Y311-T313 HydrophobicContact CE1-CG2 4.49Å; Y311-T313 PolarHBondContact O-N 2.93Å; Y311-T313 VanDerWaalsContact O-N 3.11Å; T313-S315 WeakPolarHBondContact O-CB 3.49Å; T313-S315 PolarHBondContact O-N 3.37Å; T313-S315 VanDerWaalsContact O-N 3.1Å; T313-L318 HydrophobicContact CG2-CD2 3.91Å; T313-N344 PolarHBondContact O-OD1 2.92Å
314P87.6Confident91.3Very high16 Ų1637.5 Ų37.510%0.10419%0.189CC..  trans-53.9-29.8-179.1-28.333.8000115.1C153 R154 Y311 S312 E316 N344C153-P314 HydrophobicContact CB-CG 4.17Å; R154-P314 HydrophobicContact CG-CG 4.12Å; R154-P314 VanDerWaalsContact CZ-CA 3.44Å; Y311-P314 VanDerWaalsContact CE1-CD 3.41Å; Y311-P314 HydrophobicContact CE1-CG 4.47Å; Y311-P314 VanDerWaalsContact CZ-CD 3.46Å; Y311-P314 WeakPolarHBondContact OH-CD 3.45Å; Y311-P314 VanDerWaalsContact OH-CG 3.25Å; Y311-P314 WeakPolarHBondContact OH-CG 3.49Å; S312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-E316 VanDerWaalsContact C-N 3.33Å; P314-E316 PolarHBondContact O-N 3.41Å; P314-N344 PolarHBondContact O-OD1 3.18Å; P314-N344 VanDerWaalsContact O-OD1 3.13Å
315S80Confident91.3Very high7 Ų739.2 Ų39.25%0.04920%0.196CC..  trans5638.2165.9-166.30000116.1I261 T313 N317 L318 C319I261-S315 VanDerWaalsContact CD1-CB 3.43Å; I261-S315 WeakPolarHBondContact CD1-OG 3.35Å; T313-S315 WeakPolarHBondContact O-CB 3.49Å; T313-S315 PolarHBondContact O-N 3.37Å; T313-S315 VanDerWaalsContact O-N 3.1Å; S315-N317 VanDerWaalsContact C-N 3.31Å; S315-N317 PolarHBondContact O-N 3.17Å; S315-L318 WeakPolarHBondContact OG-CB 3.19Å; S315-C319 PolarHBondContact O-N 3.07Å; S315-C319 PolarHBondContact O-SG 3Å; S315-C319 WeakPolarHBondContact OG-CA 3.45Å; S315-C319 WeakPolarHBondContact OG-CB 3.41Å; S315-C319 PolarHBondContact OG-N 2.98Å
316E74Confident91.4Very high65 Ų6537.9 Ų37.930%0.30418%0.182SC..THydrogen-bonded Turntrans-53.1-47.1177.2-150.874.5-157.300112.8P314 C449 G450 Y451P314-E316 VanDerWaalsContact C-N 3.33Å; P314-E316 PolarHBondContact O-N 3.41Å; E316-C449 HydrophobicContact CG-CB 4.46Å; E316-C449 WeakPolarHBondContact OE2-CB 3.24Å; E316-G450 WeakPolarHBondContact OE2-CA 3.16Å; E316-G450 PolarHBondContact OE2-N 3.06Å; E316-Y451 HydrophobicContact CG-CD2 4.49Å; E316-Y451 PolarHBondContact OE2-N 3.24Å
317N77.3Confident91.4Very high134 Ų13439 Ų3972%0.71719%0.191SC*.THydrogen-bonded Turntrans-112.9-14.5179.3-60.9-40.1000112.5S315 C319 R321S315-N317 VanDerWaalsContact C-N 3.31Å; S315-N317 PolarHBondContact O-N 3.17Å; N317-C319 VanDerWaalsContact C-N 3.35Å; N317-R321 WeakPolarHBondContact O-CB 3.33Å; N317-R321 PolarHBondContact O-N 3.13Å
318L85.8Confident91.4Very high35 Ų3542.9 Ų42.918%0.18322%0.222CC..Hα-helixtrans-76.7-25.8-173.4-172.368.6000111.8T313 S315 R321 F322T313-L318 HydrophobicContact CG2-CD2 3.91Å; S315-L318 WeakPolarHBondContact OG-CB 3.19Å; L318-R321 PolarHBondContact O-N 2.81Å; L318-F322 HydrophobicContact CD1-CD1 3.89Å; L318-F322 HydrophobicContact CD1-CD2 4.13Å; L318-F322 HydrophobicContact CD1-CE1 3.67Å; L318-F322 HydrophobicContact CD1-CE2 3.92Å; L318-F322 HydrophobicContact CD1-CG 4.12Å; L318-F322 HydrophobicContact CD1-CZ 3.68Å; L318-F322 HydrophobicContact CD2-CD2 4.25Å; L318-F322 HydrophobicContact CD2-CE2 3.72Å; L318-F322 HydrophobicContact CD2-CZ 4.06Å; L318-F322 HydrophobicContact CG-CD1 4.48Å; L318-F322 HydrophobicContact CG-CD2 3.85Å; L318-F322 HydrophobicContact CG-CE1 4.41Å; L318-F322 HydrophobicContact CG-CE2 3.76Å; L318-F322 HydrophobicContact CG-CG 4.22Å; L318-F322 HydrophobicContact CG-CZ 4.06Å; L318-F322 WeakPolarHBondContact O-CB 3.48Å; L318-F322 PolarHBondContact O-N 3.46Å
319C86.7Confident91.4Very high15 Ų1548.3 Ų48.310%0.10125%0.247CC..Hα-helixtrans-66.1-46.9-178.8560000110.9I261 S315 N317 C323 Y342I261-C319 HydrophobicContact CD1-CB 4Å; S315-C319 PolarHBondContact O-N 3.07Å; S315-C319 PolarHBondContact O-SG 3Å; S315-C319 WeakPolarHBondContact OG-CA 3.45Å; S315-C319 WeakPolarHBondContact OG-CB 3.41Å; S315-C319 PolarHBondContact OG-N 2.98Å; N317-C319 VanDerWaalsContact C-N 3.35Å; C319-C323 VanDerWaalsContact O-CB 3.31Å; C319-C323 WeakPolarHBondContact O-CB 3.41Å; C319-C323 PolarHBondContact O-N 3.14Å; C319-Y342 VanDerWaalsContact CB-O 3.25Å; C319-Y342 WeakPolarHBondContact CB-O 3.43Å; C319-Y342 PolarHBondContact O-N 3.21Å
320D87Confident91.4Very high79 Ų7951 Ų5142%0.42226%0.258SS..Hα-helixtrans-65.2-50171.6167.582.8000110.8F322 C323 R324D320-F322 PolarHBondContact O-N 3.45Å; D320-C323 PolarHBondContact O-N 3.35Å; D320-R324 VanDerWaalsContact O-CB 3.31Å; D320-R324 WeakPolarHBondContact O-CB 3.27Å; D320-R324 PolarHBondContact O-N 2.88Å; D320-R324 IonicContact OD2-NE 2.82Å
321R90.2Very high91.3Very high122 Ų12252.4 Ų52.446%0.4627%0.273SS..Hα-helixtrans-58.6-46.2-173.9-178.2-179.5177-80-3.1112.4N317 L318 L325N317-R321 WeakPolarHBondContact O-CB 3.33Å; N317-R321 PolarHBondContact O-N 3.13Å; L318-R321 PolarHBondContact O-N 2.81Å; R321-L325 HydrophobicContact CG-CD1 4.23Å; R321-L325 VanDerWaalsContact O-CG 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.43Å; R321-L325 PolarHBondContact O-N 3Å; R321-L325 VanDerWaalsContact O-N 3.16Å
322F95.1Very high91.2Very high23 Ų2356.5 Ų56.510%0.10130%0.299CS..Hα-helixtrans-67-46.2178.2-81.2-14.2000111.7N181 I261 L318 D320 R324 L325 D326 Y342N181-F322 HydrophobicContact CB-CD1 4.25Å; N181-F322 HydrophobicContact CB-CD2 3.64Å; N181-F322 HydrophobicContact CB-CE1 4.17Å; N181-F322 HydrophobicContact CB-CE2 3.57Å; N181-F322 HydrophobicContact CB-CG 4Å; N181-F322 HydrophobicContact CB-CZ 3.84Å; N181-F322 WeakPolarHBondContact ND2-CG 3.15Å; I261-F322 HydrophobicContact CG2-CD2 3.59Å; I261-F322 HydrophobicContact CG2-CE2 3.71Å; L318-F322 HydrophobicContact CD1-CD1 3.89Å; L318-F322 HydrophobicContact CD1-CD2 4.13Å; L318-F322 HydrophobicContact CD1-CE1 3.67Å; L318-F322 HydrophobicContact CD1-CE2 3.92Å; L318-F322 HydrophobicContact CD1-CG 4.12Å; L318-F322 HydrophobicContact CD1-CZ 3.68Å; L318-F322 HydrophobicContact CD2-CD2 4.25Å; L318-F322 HydrophobicContact CD2-CE2 3.72Å; L318-F322 HydrophobicContact CD2-CZ 4.06Å; L318-F322 HydrophobicContact CG-CD1 4.48Å; L318-F322 HydrophobicContact CG-CD2 3.85Å; L318-F322 HydrophobicContact CG-CE1 4.41Å; L318-F322 HydrophobicContact CG-CE2 3.76Å; L318-F322 HydrophobicContact CG-CG 4.22Å; L318-F322 HydrophobicContact CG-CZ 4.06Å; L318-F322 WeakPolarHBondContact O-CB 3.48Å; L318-F322 PolarHBondContact O-N 3.46Å; D320-F322 PolarHBondContact O-N 3.45Å; F322-R324 PolarHBondContact O-N 3.05Å; F322-L325 PolarHBondContact O-N 3.27Å; F322-D326 VanDerWaalsContact O-CG 3.31Å; F322-D326 PolarHBondContact O-N 3.14Å; F322-Y342 HydrophobicContact CB-CD2 3.73Å; F322-Y342 HydrophobicContact CB-CE2 3.7Å
323C93.1Very high91.2Very high0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-57.3-48.6177.4-171.90000111.2C319 D320 L325 D326 T327 Y341 Y342C319-C323 VanDerWaalsContact O-CB 3.31Å; C319-C323 WeakPolarHBondContact O-CB 3.41Å; C319-C323 PolarHBondContact O-N 3.14Å; D320-C323 PolarHBondContact O-N 3.35Å; C323-L325 PolarHBondContact O-N 2.9Å; C323-D326 CarbonylContact O-C 3.54Å; C323-D326 PolarHBondContact O-N 2.92Å; C323-D326 VanDerWaalsContact O-N 3.1Å; C323-T327 PolarHBondContact O-N 2.79Å; C323-T327 PolarHBondContact O-OG1 3.05Å; C323-Y341 PolarHBondContact SG-N 3.33Å; C323-Y342 HydrophobicContact CB-CD1 4.09Å; C323-Y342 HydrophobicContact CB-CE1 3.99Å; C323-Y342 HydrophobicContact CB-CE2 4.43Å; C323-Y342 HydrophobicContact CB-CG 4.37Å
324R93.5Very high91.2Very high141 Ų14162.8 Ų62.853%0.53234%0.34SS..Hα-helixtrans-59.8-40.6178.3-178.9167.555.184-3.2113.9D320 F322 D326 A328D320-R324 VanDerWaalsContact O-CB 3.31Å; D320-R324 WeakPolarHBondContact O-CB 3.27Å; D320-R324 PolarHBondContact O-N 2.88Å; D320-R324 IonicContact OD2-NE 2.82Å; F322-R324 PolarHBondContact O-N 3.05Å; R324-D326 VanDerWaalsContact C-N 3.33Å; R324-A328 PolarHBondContact O-N 2.87Å; R324-A328 VanDerWaalsContact O-N 3.14Å
325L95.9Very high91.5Very high75 Ų7563.3 Ų63.339%0.39335%0.348SS..Hα-helixtrans-66.9-37.7176.5-73172000111.5R321 F322 C323 A328 E329R321-L325 HydrophobicContact CG-CD1 4.23Å; R321-L325 VanDerWaalsContact O-CG 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.43Å; R321-L325 PolarHBondContact O-N 3Å; R321-L325 VanDerWaalsContact O-N 3.16Å; F322-L325 PolarHBondContact O-N 3.27Å; C323-L325 PolarHBondContact O-N 2.9Å; L325-A328 PolarHBondContact O-N 2.91Å; L325-E329 PolarHBondContact O-N 3.19Å
326D97.7Very high92.3Very high3 Ų363 Ų632%0.01635%0.346CS..Hα-helixtrans-76.2-36.4179.2-65.6-20.4000111.7N181 R184 L187 F322 C323 R324 A328 E329 F330 T337 Y342N181-D326 PolarHBondContact ND2-OD2 2.89Å; R184-D326 WeakPolarHBondContact CD-OD1 3.34Å; R184-D326 IonicContact CZ-OD1 3.66Å; R184-D326 IonicContact NE-OD1 3.94Å; R184-D326 IonicContact NH1-OD1 3.79Å; R184-D326 PolarHBondContact NH1-OD1 3.35Å; L187-D326 HydrophobicContact CD1-CB 4.16Å; F322-D326 VanDerWaalsContact O-CG 3.31Å; F322-D326 PolarHBondContact O-N 3.14Å; C323-D326 CarbonylContact O-C 3.54Å; C323-D326 PolarHBondContact O-N 2.92Å; C323-D326 VanDerWaalsContact O-N 3.1Å; R324-D326 VanDerWaalsContact C-N 3.33Å; D326-A328 VanDerWaalsContact C-N 3.25Å; D326-A328 PolarHBondContact O-N 3.26Å; D326-E329 PolarHBondContact O-N 3.35Å; D326-E329 VanDerWaalsContact O-N 3.1Å; D326-F330 HydrophobicContact CB-CD2 4.26Å; D326-F330 WeakPolarHBondContact O-CD2 3.44Å; D326-F330 PolarHBondContact O-N 3.29Å; D326-T337 HydrophobicContact CB-CG2 4.23Å; D326-Y342 WeakPolarHBondContact CB-OH 3.34Å; D326-Y342 VanDerWaalsContact CG-OH 3.32Å; D326-Y342 WeakPolarHBondContact OD2-CE2 3.4Å; D326-Y342 PolarHBondContact OD2-OH 3.14Å
327T95.4Very high93.3Very high45 Ų4560.1 Ų60.128%0.27633%0.333SS..Hα-helixtrans-58.7-39170.6-53.40000111.4C323 E329 G331 V332C323-T327 PolarHBondContact O-N 2.79Å; C323-T327 PolarHBondContact O-OG1 3.05Å; T327-E329 PolarHBondContact O-N 3.14Å; T327-G331 WeakPolarHBondContact CA-O 3.43Å; T327-G331 WeakPolarHBondContact O-CA 3.47Å; T327-G331 PolarHBondContact O-N 3.36Å; T327-V332 HydrophobicContact CG2-CG2 4.16Å
328A96.2Very high94Very high90 Ų9057.8 Ų57.874%0.74432%0.32SS*.Hα-helixtrans-65.1-25.8178.300000113.1R324 L325 D326R324-A328 PolarHBondContact O-N 2.87Å; R324-A328 VanDerWaalsContact O-N 3.14Å; L325-A328 PolarHBondContact O-N 2.91Å; D326-A328 VanDerWaalsContact C-N 3.25Å; D326-A328 PolarHBondContact O-N 3.26Å
329E97.5Very high94.1Very high120 Ų12058 Ų5856%0.56132%0.32SS*.Hα-helixtrans-102.6-40.8-176.2-171.7163.8159.800114R184 L325 D326 T327R184-E329 VanDerWaalsContact CZ-CD 3.46Å; R184-E329 IonicContact CZ-OE1 3.18Å; R184-E329 IonicContact CZ-OE2 2.71Å; R184-E329 VanDerWaalsContact NH1-CD 3.3Å; R184-E329 IonicContact NH1-OE1 3.93Å; R184-E329 IonicContact NH1-OE2 3.46Å; R184-E329 PolarHBondContact NH1-OE2 2.87Å; R184-E329 IonicContact NH2-OE1 2.94Å; R184-E329 PolarHBondContact NH2-OE1 3.4Å; R184-E329 IonicContact NH2-OE2 3.85Å; R184-E329 PolarHBondContact NH2-OE2 3.15Å; L325-E329 PolarHBondContact O-N 3.19Å; D326-E329 PolarHBondContact O-N 3.35Å; D326-E329 VanDerWaalsContact O-N 3.1Å; T327-E329 PolarHBondContact O-N 3.14Å
330F97.5Very high94.2Very high67 Ų6758.9 Ų58.929%0.29433%0.331SS..Hα-helixtrans-105.9-7.4-176.5-57.3-77.6000113.3R184 L187 E188 D326 V333R184-F330 VanDerWaalsContact CZ-CE2 3.45Å; L187-F330 HydrophobicContact CB-CD1 4.28Å; L187-F330 HydrophobicContact CB-CD2 4.09Å; L187-F330 HydrophobicContact CB-CE1 4.26Å; L187-F330 HydrophobicContact CB-CE2 4.06Å; L187-F330 HydrophobicContact CB-CG 4.2Å; L187-F330 HydrophobicContact CB-CZ 4.16Å; L187-F330 HydrophobicContact CD1-CB 4.46Å; L187-F330 HydrophobicContact CD1-CD2 3.77Å; L187-F330 HydrophobicContact CD1-CE2 4.28Å; L187-F330 HydrophobicContact CD1-CG 4.2Å; E188-F330 HydrophobicContact CG-CE1 4.47Å; E188-F330 HydrophobicContact CG-CZ 3.8Å; D326-F330 HydrophobicContact CB-CD2 4.26Å; D326-F330 WeakPolarHBondContact O-CD2 3.44Å; D326-F330 PolarHBondContact O-N 3.29Å; F330-V333 HydrophobicContact CB-CG2 4.39Å
331G96.6Very high94.3Very high30 Ų3058.8 Ų58.831%0.30933%0.326SS..  trans78.1-165.4-173.700000113.1T327 V333 T337T327-G331 WeakPolarHBondContact CA-O 3.43Å; T327-G331 WeakPolarHBondContact O-CA 3.47Å; T327-G331 PolarHBondContact O-N 3.36Å; G331-V333 PolarHBondContact O-N 2.96Å; G331-T337 PolarHBondContact O-OG1 2.67Å
332V96.3Very high94.5Very high107 Ų10753 Ų5365%0.64830%0.304SS*.  trans-83.2111.7177.9-176.90000108.9T327 T337 D338T327-V332 HydrophobicContact CG2-CG2 4.16Å; V332-T337 WeakPolarHBondContact CA-OG1 3.34Å; V332-D338 HydrophobicContact CG1-CB 3.85Å
333V96.2Very high94.5Very high36 Ų3652.3 Ų52.322%0.21830%0.302CS..  trans-108.6119.6-177.8-179.10000108.7L187 F330 G331 G335 V336 T337 D338L187-V333 HydrophobicContact CD2-CB 4.39Å; L187-V333 HydrophobicContact CD2-CG1 4.14Å; L187-V333 HydrophobicContact CD2-CG2 4.01Å; F330-V333 HydrophobicContact CB-CG2 4.39Å; G331-V333 PolarHBondContact O-N 2.96Å; V333-G335 PolarHBondContact O-N 2.73Å; V333-V336 HydrophobicContact CB-CB 4.04Å; V333-V336 HydrophobicContact CB-CG2 4.5Å; V333-V336 HydrophobicContact CG1-CB 3.88Å; V333-V336 HydrophobicContact CG1-CG2 3.79Å; V333-V336 PolarHBondContact O-N 3.3Å; V333-V336 VanDerWaalsContact O-N 3.1Å; V333-T337 PolarHBondContact N-OG1 3.39Å; V333-T337 PolarHBondContact O-N 3.29Å; V333-D338 PolarHBondContact O-N 2.87Å
334P94.6Very high94.5Very high109 Ų10953.4 Ų53.471%0.70831%0.307SS*.THydrogen-bonded Turntrans-57.2133.3-179.2-26.334.9000113.1V336 D338P334-V336 PolarHBondContact O-N 3.43Å; P334-D338 WeakPolarHBondContact CA-OD2 2.8Å
335G93.9Very high94.6Very high27 Ų2746.7 Ų46.728%0.27828%0.282SS..THydrogen-bonded Turntrans69.68.4-177.400000114.8N268 V333 D338N268-G335 WeakPolarHBondContact CB-O 3.36Å; N268-G335 PolarHBondContact ND2-O 2.93Å; V333-G335 PolarHBondContact O-N 2.73Å; G335-D338 PolarHBondContact N-OD1 2.96Å; G335-D338 VanDerWaalsContact N-OD1 3.15Å; G335-D338 PolarHBondContact N-OD2 3.2Å
336V96.6Very high94.7Very high1 Ų143.2 Ų43.21%0.00626%0.264CS..THydrogen-bonded Turntrans-130.1-68-176.8-1740000110.4P183 L187 E265 N268 A269 V333 P334 D338 Y342P183-V336 HydrophobicContact CB-CG1 4.44Å; L187-V336 HydrophobicContact CD1-CG1 4.15Å; L187-V336 HydrophobicContact CD2-CG1 4.18Å; L187-V336 HydrophobicContact CG-CG1 4.29Å; E265-V336 HydrophobicContact CB-CG1 4.08Å; N268-V336 HydrophobicContact CB-CG2 4.13Å; A269-V336 HydrophobicContact CB-CG1 4.34Å; A269-V336 HydrophobicContact CB-CG2 3.85Å; V333-V336 HydrophobicContact CB-CB 4.04Å; V333-V336 HydrophobicContact CB-CG2 4.5Å; V333-V336 HydrophobicContact CG1-CB 3.88Å; V333-V336 HydrophobicContact CG1-CG2 3.79Å; V333-V336 PolarHBondContact O-N 3.3Å; V333-V336 VanDerWaalsContact O-N 3.1Å; P334-V336 PolarHBondContact O-N 3.43Å; V336-D338 PolarHBondContact N-OD1 3.35Å; V336-Y342 HydrophobicContact CG1-CE1 4.36Å; V336-Y342 WeakPolarHBondContact O-CE1 2.78Å
337T95.3Very high94.7Very high4 Ų444 Ų443%0.02527%0.267CS..THydrogen-bonded Turntrans-109.9-6.8-17665.20000113.7L187 D326 G331 V332 V333 K339 G340 Y342L187-T337 HydrophobicContact CD1-CG2 4.36Å; D326-T337 HydrophobicContact CB-CG2 4.23Å; G331-T337 PolarHBondContact O-OG1 2.67Å; V332-T337 WeakPolarHBondContact CA-OG1 3.34Å; V333-T337 PolarHBondContact N-OG1 3.39Å; V333-T337 PolarHBondContact O-N 3.29Å; T337-K339 PolarHBondContact O-N 2.95Å; T337-G340 PolarHBondContact O-N 3.44Å; T337-Y342 HydrophobicContact CG2-CE1 4.19Å
338D92Very high94.7Very high84 Ų8442 Ų4245%0.44926%0.255SS..THydrogen-bonded Turntrans-63.8-35.6-177.557.6-16.6000114.6V332 V333 P334 G335 V336 G340V332-D338 HydrophobicContact CG1-CB 3.85Å; V333-D338 PolarHBondContact O-N 2.87Å; P334-D338 WeakPolarHBondContact CA-OD2 2.8Å; G335-D338 PolarHBondContact N-OD1 2.96Å; G335-D338 VanDerWaalsContact N-OD1 3.15Å; G335-D338 PolarHBondContact N-OD2 3.2Å; V336-D338 PolarHBondContact N-OD1 3.35Å; D338-G340 VanDerWaalsContact C-N 3.27Å; D338-G340 PolarHBondContact O-N 2.81Å
339K89.6Confident94.6Very high39 Ų3937.9 Ų37.917%0.1722%0.221CC..THydrogen-bonded Turntrans-78.1-7.5175.871.8-171-178.9-166.20114.8E265 T337 Y341 T343 D349E265-K339 WeakPolarHBondContact OE1-CE 3.39Å; E265-K339 IonicContact OE1-NZ 3.57Å; E265-K339 PolarHBondContact OE1-NZ 2.95Å; T337-K339 PolarHBondContact O-N 2.95Å; K339-Y341 VanDerWaalsContact C-N 3.32Å; K339-Y341 HydrophobicContact CB-CE1 4.16Å; K339-Y341 HydrophobicContact CD-CD2 4.43Å; K339-Y341 HydrophobicContact CD-CE1 4.19Å; K339-Y341 HydrophobicContact CD-CE2 3.92Å; K339-Y341 WeakPolarHBondContact CE-O 3.47Å; K339-Y341 HydrophobicContact CG-CD1 4.13Å; K339-Y341 HydrophobicContact CG-CE1 4Å; K339-Y341 HydrophobicContact CG-CE2 4.37Å; K339-Y341 HydrophobicContact CG-CG 4.38Å; K339-Y341 VanDerWaalsContact CG-O 3.31Å; K339-Y341 WeakPolarHBondContact CG-O 3.36Å; K339-Y341 VanDerWaalsContact O-CD1 3.31Å; K339-Y341 WeakPolarHBondContact O-CD1 3.5Å; K339-Y341 PolarHBondContact O-N 2.89Å; K339-T343 PolarHBondContact NZ-OG1 3.14Å; K339-T343 VanDerWaalsContact NZ-OG1 3.12Å; K339-D349 IonicContact NZ-OD1 2.73Å; K339-D349 PolarHBondContact NZ-OD1 3.31Å
340G88.4Confident94.1Very high34 Ų3436.1 Ų36.135%0.35122%0.218SC..SBendtrans79.23.317700000115.9T337 D338T337-G340 PolarHBondContact O-N 3.44Å; D338-G340 VanDerWaalsContact C-N 3.27Å; D338-G340 PolarHBondContact O-N 2.81Å
341Y88.3Confident93.7Very high77 Ų7739.1 Ų39.130%0.30223%0.233SC..SBendtrans-150160.2173.864.4-91.4000111.5C323 K339 V350C323-Y341 PolarHBondContact SG-N 3.33Å; K339-Y341 VanDerWaalsContact C-N 3.32Å; K339-Y341 HydrophobicContact CB-CE1 4.16Å; K339-Y341 HydrophobicContact CD-CD2 4.43Å; K339-Y341 HydrophobicContact CD-CE1 4.19Å; K339-Y341 HydrophobicContact CD-CE2 3.92Å; K339-Y341 WeakPolarHBondContact CE-O 3.47Å; K339-Y341 HydrophobicContact CG-CD1 4.13Å; K339-Y341 HydrophobicContact CG-CE1 4Å; K339-Y341 HydrophobicContact CG-CE2 4.37Å; K339-Y341 HydrophobicContact CG-CG 4.38Å; K339-Y341 VanDerWaalsContact CG-O 3.31Å; K339-Y341 WeakPolarHBondContact CG-O 3.36Å; K339-Y341 VanDerWaalsContact O-CD1 3.31Å; K339-Y341 WeakPolarHBondContact O-CD1 3.5Å; K339-Y341 PolarHBondContact O-N 2.89Å; Y341-V350 WeakPolarHBondContact OH-CG2 3.29Å
342Y94.8Very high93.6Very high2 Ų240.1 Ų40.11%0.00823%0.228CC..  trans-99142.3170.8-62.9-29000112.9N181 P183 E265 C319 F322 C323 D326 V336 T337N181-Y342 WeakPolarHBondContact OD1-CE2 3.48Å; P183-Y342 HydrophobicContact CB-CD1 4.4Å; P183-Y342 HydrophobicContact CB-CD2 4.24Å; P183-Y342 HydrophobicContact CB-CE1 3.89Å; P183-Y342 HydrophobicContact CB-CE2 3.71Å; P183-Y342 HydrophobicContact CG-CD1 4.15Å; P183-Y342 HydrophobicContact CG-CD2 3.81Å; P183-Y342 HydrophobicContact CG-CE1 4.14Å; P183-Y342 HydrophobicContact CG-CE2 3.79Å; P183-Y342 HydrophobicContact CG-CG 3.98Å; E265-Y342 HydrophobicContact CB-CD1 4.2Å; E265-Y342 HydrophobicContact CB-CE1 4.44Å; E265-Y342 HydrophobicContact CG-CD1 3.83Å; E265-Y342 HydrophobicContact CG-CE1 4.39Å; C319-Y342 VanDerWaalsContact CB-O 3.25Å; C319-Y342 WeakPolarHBondContact CB-O 3.43Å; C319-Y342 PolarHBondContact O-N 3.21Å; F322-Y342 HydrophobicContact CB-CD2 3.73Å; F322-Y342 HydrophobicContact CB-CE2 3.7Å; C323-Y342 HydrophobicContact CB-CD1 4.09Å; C323-Y342 HydrophobicContact CB-CE1 3.99Å; C323-Y342 HydrophobicContact CB-CE2 4.43Å; C323-Y342 HydrophobicContact CB-CG 4.37Å; D326-Y342 WeakPolarHBondContact CB-OH 3.34Å; D326-Y342 VanDerWaalsContact CG-OH 3.32Å; D326-Y342 WeakPolarHBondContact OD2-CE2 3.4Å; D326-Y342 PolarHBondContact OD2-OH 3.14Å; V336-Y342 HydrophobicContact CG1-CE1 4.36Å; V336-Y342 WeakPolarHBondContact O-CE1 2.78Å; T337-Y342 HydrophobicContact CG2-CE1 4.19Å
343T94Very high93.3Very high8 Ų843.3 Ų43.35%0.04923%0.234CC..  trans-65.2134.7177.2-68.40000111I261 G262 H264 E265 K339 S345 H347 D349I261-T343 VanDerWaalsContact CG1-O 3.27Å; I261-T343 WeakPolarHBondContact CG1-O 3.01Å; G262-T343 WeakPolarHBondContact CA-O 3.03Å; G262-T343 PolarHBondContact N-O 3.43Å; G262-T343 VanDerWaalsContact N-O 3.1Å; H264-T343 HydrophobicContact CB-CG2 4.49Å; E265-T343 VanDerWaalsContact CD-N 3.33Å; E265-T343 WeakPolarHBondContact OE1-CB 3.31Å; E265-T343 PolarHBondContact OE1-N 2.72Å; E265-T343 PolarHBondContact OE1-OG1 3.47Å; E265-T343 PolarHBondContact OE2-N 3.37Å; K339-T343 PolarHBondContact NZ-OG1 3.14Å; K339-T343 VanDerWaalsContact NZ-OG1 3.12Å; T343-S345 PolarHBondContact O-N 3.44Å; T343-S345 VanDerWaalsContact O-N 3.11Å; T343-H347 HydrophobicContact CG2-CB 4.04Å; T343-H347 WeakPolarHBondContact CG2-O 3.27Å; T343-D349 PolarHBondContact OG1-OD1 3.32Å
344N93.9Very high93.2Very high22 Ų2243.7 Ų43.712%0.11824%0.236CC..  trans-62.2113.2-173.2173.572.9000111.7R154 T313 P314 F346 H347R154-N344 PolarHBondContact NH1-ND2 3.43Å; R154-N344 PolarHBondContact NH2-ND2 3.4Å; R154-N344 PolarHBondContact NH2-OD1 3.23Å; T313-N344 PolarHBondContact O-OD1 2.92Å; P314-N344 PolarHBondContact O-OD1 3.18Å; P314-N344 VanDerWaalsContact O-OD1 3.13Å; N344-F346 PolarHBondContact O-N 3.35Å; N344-H347 PolarHBondContact ND2-CE1 3.48Å; N344-H347 PolarHBondContact ND2-ND1 2.95Å; N344-H347 VanDerWaalsContact O-CB 3.3Å; N344-H347 WeakPolarHBondContact O-CB 3.28Å; N344-H347 VanDerWaalsContact O-CG 3.31Å; N344-H347 PolarHBondContact O-N 3.35Å
345S96.8Very high93.1Very high1 Ų141.6 Ų41.61%0.00722%0.219CC..THydrogen-bonded Turntrans51.8-108.7173.3460000113.6I263 S312 T343I263-S345 WeakPolarHBondContact CB-O 3.49Å; I263-S345 VanDerWaalsContact CG1-O 3.26Å; I263-S345 WeakPolarHBondContact CG1-O 2.97Å; I263-S345 PolarHBondContact N-O 3.15Å; S312-S345 VanDerWaalsContact CB-CB 3.49Å; T343-S345 PolarHBondContact O-N 3.44Å; T343-S345 VanDerWaalsContact O-N 3.11Å
346F97.3Very high93Very high2 Ų241.8 Ų41.81%0.00922%0.215CC..THydrogen-bonded Turntrans-105.73.3-179.260.7-104.5000113.7Y260 S312 N344 E363 Y366 P367 F374Y260-F346 WeakPolarHBondContact OH-CD1 3.18Å; S312-F346 WeakPolarHBondContact OG-CD1 3.37Å; S312-F346 VanDerWaalsContact OG-CE1 3.22Å; S312-F346 WeakPolarHBondContact OG-CE1 3.11Å; N344-F346 PolarHBondContact O-N 3.35Å; F346-E363 HydrophobicContact CD2-CB 4.11Å; F346-E363 HydrophobicContact CD2-CG 4.09Å; F346-E363 HydrophobicContact CE2-CB 3.94Å; F346-E363 HydrophobicContact CE2-CG 4.2Å; F346-Y366 HydrophobicContact CB-CD1 3.61Å; F346-Y366 HydrophobicContact CB-CD2 3.67Å; F346-Y366 HydrophobicContact CB-CE1 4.03Å; F346-Y366 HydrophobicContact CB-CE2 4.1Å; F346-Y366 HydrophobicContact CB-CG 3.39Å; F346-Y366 HydrophobicContact CD1-CG 4.27Å; F346-Y366 AromaticContact CD2-CD2 3.88Å; F346-Y366 HydrophobicContact CD2-CD2 3.88Å; F346-Y366 HydrophobicContact CD2-CG 4.02Å; F346-Y366 VanDerWaalsContact CG-CB 3.43Å; F346-Y366 HydrophobicContact CG-CD1 4.3Å; F346-Y366 AromaticContact CG-CD2 3.93Å; F346-Y366 HydrophobicContact CG-CD2 3.93Å; F346-Y366 AromaticContact CG-CG 3.65Å; F346-Y366 HydrophobicContact CG-CG 3.65Å; F346-P367 HydrophobicContact CZ-CG 4.18Å; F346-F374 HydrophobicContact CE1-CB 4.08Å; F346-F374 HydrophobicContact CZ-CB 4.17Å
347H96.6Very high92.9Very high18 Ų1845.7 Ų45.78%0.08323%0.23CC..PPolyproline II helixtrans-58.8147.2-174.6-70.9177.5000111.3T343 N344 E363 I375 Y377T343-H347 HydrophobicContact CG2-CB 4.04Å; T343-H347 WeakPolarHBondContact CG2-O 3.27Å; N344-H347 PolarHBondContact ND2-CE1 3.48Å; N344-H347 PolarHBondContact ND2-ND1 2.95Å; N344-H347 VanDerWaalsContact O-CB 3.3Å; N344-H347 WeakPolarHBondContact O-CB 3.28Å; N344-H347 VanDerWaalsContact O-CG 3.31Å; N344-H347 PolarHBondContact O-N 3.35Å; H347-E363 VanDerWaalsContact CA-OE1 3.28Å; H347-E363 WeakPolarHBondContact CA-OE1 3.46Å; H347-E363 IonicContact CD2-OE1 4Å; H347-E363 IonicContact CD2-OE2 2.63Å; H347-E363 IonicContact CG-OE1 3.9Å; H347-I375 PolarHBondContact NE2-O 3.09Å; H347-Y377 AromaticContact CE1-CD2 3.54Å; H347-Y377 AromaticContact CE1-CE2 3.84Å
348L96.4Very high93Very high4 Ų448.2 Ų48.22%0.02124%0.244CC..PPolyproline II helixtrans-61.6137.8166.8-175.464.7000109Y277 V350 K352 V354 K359 F362 E363Y277-L348 HydrophobicContact CD2-CD1 4.03Å; Y277-L348 HydrophobicContact CD2-CD2 4.21Å; Y277-L348 HydrophobicContact CG-CD1 4.27Å; L348-V350 PolarHBondContact O-N 2.92Å; L348-K352 HydrophobicContact CD1-CB 4.34Å; L348-K352 HydrophobicContact CD1-CG 4.21Å; L348-K352 HydrophobicContact CD2-CG 4.34Å; L348-K352 HydrophobicContact CG-CB 4.32Å; L348-K352 HydrophobicContact CG-CG 4.46Å; L348-V354 HydrophobicContact CD2-CB 4.32Å; L348-V354 HydrophobicContact CD2-CG1 4.03Å; L348-V354 HydrophobicContact CD2-CG2 3.31Å; L348-K359 HydrophobicContact CB-CG 4.16Å; L348-K359 HydrophobicContact CD2-CB 4.48Å; L348-K359 HydrophobicContact CD2-CG 4.16Å; L348-F362 HydrophobicContact CB-CD1 3.8Å; L348-F362 HydrophobicContact CB-CE1 4.02Å; L348-F362 HydrophobicContact CD1-CD1 3.93Å; L348-F362 HydrophobicContact CD1-CD2 4.34Å; L348-F362 HydrophobicContact CD1-CE1 3.88Å; L348-F362 HydrophobicContact CD1-CE2 4.29Å; L348-F362 HydrophobicContact CD1-CG 4.18Å; L348-F362 HydrophobicContact CD1-CZ 4.07Å; L348-F362 HydrophobicContact CG-CD1 4.4Å; L348-E363 PolarHBondContact N-OE1 3.46Å
349D94.2Very high93.2Very high4 Ų445.4 Ų45.42%0.02123%0.228CC..PPolyproline II helixtrans-58138176178.461.4000111.6K339 T343 E351 K352K339-D349 IonicContact NZ-OD1 2.73Å; K339-D349 PolarHBondContact NZ-OD1 3.31Å; T343-D349 PolarHBondContact OG1-OD1 3.32Å; D349-E351 VanDerWaalsContact C-N 3.26Å; D349-E351 PolarHBondContact O-N 3.18Å; D349-E351 WeakPolarHBondContact OD2-CA 3.34Å; D349-E351 WeakPolarHBondContact OD2-CB 3.5Å; D349-E351 PolarHBondContact OD2-N 2.97Å; D349-K352 WeakPolarHBondContact O-CB 3.39Å; D349-K352 PolarHBondContact O-N 3.47Å; D349-K352 VanDerWaalsContact O-N 3.17Å
350V88Confident93.6Very high82 Ų8243.7 Ų43.750%0.49722%0.22SC..THydrogen-bonded Turntrans-72.1-18.9-172.8-64.60000113.3Y341 L348 K352 K353Y341-V350 WeakPolarHBondContact OH-CG2 3.29Å; L348-V350 PolarHBondContact O-N 2.92Å; V350-K352 VanDerWaalsContact C-N 3.35Å; V350-K353 PolarHBondContact O-NZ 3.48Å
351E89.1Confident94.1Very high131 Ų13145.1 Ų45.161%0.61222%0.22SC*.THydrogen-bonded Turntrans-77.7-26.1174.8-51.4-169.6137.500111D349 K353D349-E351 VanDerWaalsContact C-N 3.26Å; D349-E351 PolarHBondContact O-N 3.18Å; D349-E351 WeakPolarHBondContact OD2-CA 3.34Å; D349-E351 WeakPolarHBondContact OD2-CB 3.5Å; D349-E351 PolarHBondContact OD2-N 2.97Å; E351-K353 PolarHBondContact O-N 3.04Å; E351-K353 VanDerWaalsContact O-N 3.12Å
352K93.6Very high94.5Very high50 Ų5041.6 Ų41.622%0.21721%0.206CC..SBendtrans-73.8102.6174.4-172.666.1-179.8-175.90111.2Y277 D278 L348 D349 V350 V354Y277-K352 HydrophobicContact CG-CG 4.36Å; D278-K352 IonicContact OD1-NZ 3.2Å; D278-K352 PolarHBondContact OD1-NZ 3.31Å; D278-K352 IonicContact OD2-NZ 3.05Å; D278-K352 PolarHBondContact OD2-NZ 2.93Å; L348-K352 HydrophobicContact CD1-CB 4.34Å; L348-K352 HydrophobicContact CD1-CG 4.21Å; L348-K352 HydrophobicContact CD2-CG 4.34Å; L348-K352 HydrophobicContact CG-CB 4.32Å; L348-K352 HydrophobicContact CG-CG 4.46Å; D349-K352 WeakPolarHBondContact O-CB 3.39Å; D349-K352 PolarHBondContact O-N 3.47Å; D349-K352 VanDerWaalsContact O-N 3.17Å; V350-K352 VanDerWaalsContact C-N 3.35Å; K352-V354 HydrophobicContact CG-CG1 4.13Å; K352-V354 PolarHBondContact O-N 3.36Å
353K90.3Very high94.7Very high175 Ų17541.6 Ų41.676%0.76121%0.206SC*.  trans-77.6116.3177.8-54-51.1176.9-1650111.1V350 E351V350-K353 PolarHBondContact O-NZ 3.48Å; E351-K353 PolarHBondContact O-N 3.04Å; E351-K353 VanDerWaalsContact O-N 3.12Å
354V93.2Very high94.9Very high43 Ų4342.2 Ų42.226%0.26121%0.212SC..  trans-138.7164.9175.3-61.60000109.3Y277 L348 K352 D358 K359Y277-V354 HydrophobicContact CD1-CG1 4.27Å; Y277-V354 HydrophobicContact CD2-CG1 4.17Å; Y277-V354 HydrophobicContact CE1-CG1 3.82Å; Y277-V354 HydrophobicContact CE2-CG1 3.73Å; Y277-V354 HydrophobicContact CG-CG1 4.42Å; L348-V354 HydrophobicContact CD2-CB 4.32Å; L348-V354 HydrophobicContact CD2-CG1 4.03Å; L348-V354 HydrophobicContact CD2-CG2 3.31Å; K352-V354 HydrophobicContact CG-CG1 4.13Å; K352-V354 PolarHBondContact O-N 3.36Å; V354-D358 HydrophobicContact CB-CB 4.19Å; V354-K359 HydrophobicContact CG2-CB 3.82Å
355N92.4Very high95.1Very high66 Ų6643.7 Ų43.735%0.35322%0.223SC..  trans-75.7162.8171.975.462.1000110.7Y357 D358 K359N355-Y357 VanDerWaalsContact C-N 3.29Å; N355-Y357 PolarHBondContact O-N 3.39Å; N355-Y357 WeakPolarHBondContact OD1-CA 3.32Å; N355-Y357 VanDerWaalsContact OD1-CB 3.24Å; N355-Y357 WeakPolarHBondContact OD1-CB 3.47Å; N355-Y357 WeakPolarHBondContact OD1-CD2 3.41Å; N355-Y357 PolarHBondContact OD1-N 3.48Å; N355-D358 PolarHBondContact ND2-OD1 2.81Å; N355-D358 VanDerWaalsContact ND2-OD1 3.07Å; N355-D358 PolarHBondContact ND2-OD2 3.22Å; N355-D358 PolarHBondContact O-N 2.82Å; N355-D358 PolarHBondContact OD1-N 3.33Å; N355-D358 PolarHBondContact OD1-OD1 2.87Å; N355-K359 PolarHBondContact O-N 3Å
356P91.8Very high95.1Very high31 Ų3143.7 Ų43.720%0.20122%0.223CC..Hα-helixtrans-60.7-31.6-178.2-26.235.7000115I360 Y380 V393P356-I360 VanDerWaalsContact O-CG1 3.3Å; P356-I360 WeakPolarHBondContact O-CG1 3.28Å; P356-I360 PolarHBondContact O-N 3.34Å; P356-I360 VanDerWaalsContact O-N 3.1Å; P356-Y380 HydrophobicContact CB-CE1 4.45Å; P356-Y380 HydrophobicContact CG-CE1 4.01Å; P356-V393 HydrophobicContact CB-CG1 3.91Å; P356-V393 HydrophobicContact CB-CG2 4.11Å
357Y95.5Very high95.2Very high82 Ų8243.7 Ų43.732%0.32222%0.223SC..Hα-helixtrans-68.5-51.3-180-53.8-86.2000110.5N355 K359 I360 D361 V393 Y396N355-Y357 VanDerWaalsContact C-N 3.29Å; N355-Y357 PolarHBondContact O-N 3.39Å; N355-Y357 WeakPolarHBondContact OD1-CA 3.32Å; N355-Y357 VanDerWaalsContact OD1-CB 3.24Å; N355-Y357 WeakPolarHBondContact OD1-CB 3.47Å; N355-Y357 WeakPolarHBondContact OD1-CD2 3.41Å; N355-Y357 PolarHBondContact OD1-N 3.48Å; Y357-K359 PolarHBondContact O-N 3.44Å; Y357-I360 WeakPolarHBondContact O-CA 3.49Å; Y357-I360 WeakPolarHBondContact O-CB 3.32Å; Y357-I360 PolarHBondContact O-N 2.84Å; Y357-D361 PolarHBondContact O-N 2.97Å; Y357-V393 HydrophobicContact CE1-CG2 4.16Å; Y357-V393 HydrophobicContact CE2-CG2 4.24Å; Y357-Y396 AromaticContact CD1-CD1 3.6Å; Y357-Y396 HydrophobicContact CD1-CD1 3.6Å; Y357-Y396 AromaticContact CD1-CD2 3.73Å; Y357-Y396 HydrophobicContact CD1-CD2 3.73Å; Y357-Y396 AromaticContact CD1-CE1 3.96Å; Y357-Y396 HydrophobicContact CD1-CE1 3.96Å; Y357-Y396 HydrophobicContact CD1-CE2 4.1Å; Y357-Y396 AromaticContact CD1-CG 3.45Å; Y357-Y396 HydrophobicContact CD1-CG 3.45Å; Y357-Y396 VanDerWaalsContact CD1-CG 3.45Å; Y357-Y396 HydrophobicContact CE1-CD1 4.41Å; Y357-Y396 HydrophobicContact CE1-CD2 4.18Å; Y357-Y396 AromaticContact CE1-CG 3.9Å; Y357-Y396 HydrophobicContact CE1-CG 3.9Å; Y357-Y396 HydrophobicContact CG-CD1 4.47Å
358D96.2Very high95.2Very high57 Ų5745.6 Ų45.631%0.30524%0.237SC..Hα-helixtrans-59.1-36.8177.7-65.81.7000112Y277 V354 N355 D361 F362Y277-D358 HydrophobicContact CE2-CB 4.22Å; Y277-D358 VanDerWaalsContact OH-CB 3.32Å; Y277-D358 WeakPolarHBondContact OH-CB 3.47Å; Y277-D358 PolarHBondContact OH-OD2 3.49Å; Y277-D358 VanDerWaalsContact OH-OD2 3.11Å; V354-D358 HydrophobicContact CB-CB 4.19Å; N355-D358 PolarHBondContact ND2-OD1 2.81Å; N355-D358 VanDerWaalsContact ND2-OD1 3.07Å; N355-D358 PolarHBondContact ND2-OD2 3.22Å; N355-D358 PolarHBondContact O-N 2.82Å; N355-D358 PolarHBondContact OD1-N 3.33Å; N355-D358 PolarHBondContact OD1-OD1 2.87Å; D358-D361 PolarHBondContact O-N 2.94Å; D358-F362 WeakPolarHBondContact O-CB 3.44Å; D358-F362 PolarHBondContact O-N 2.8Å
359K97.2Very high95.3Very high26 Ų2646.9 Ų46.911%0.11324%0.244CC..Hα-helixtrans-66.1-42.2175.5-170.2172.8-176-63.40111.7L348 V354 N355 Y357 D361 F362 E363 Y377L348-K359 HydrophobicContact CB-CG 4.16Å; L348-K359 HydrophobicContact CD2-CB 4.48Å; L348-K359 HydrophobicContact CD2-CG 4.16Å; V354-K359 HydrophobicContact CG2-CB 3.82Å; N355-K359 PolarHBondContact O-N 3Å; Y357-K359 PolarHBondContact O-N 3.44Å; K359-D361 VanDerWaalsContact C-N 3.33Å; K359-F362 PolarHBondContact O-N 2.99Å; K359-E363 WeakPolarHBondContact CE-OE1 3.41Å; K359-E363 VanDerWaalsContact NZ-CD 3.31Å; K359-E363 IonicContact NZ-OE1 2.88Å; K359-E363 PolarHBondContact NZ-OE1 2.99Å; K359-E363 IonicContact NZ-OE2 3.48Å; K359-E363 PolarHBondContact NZ-OE2 2.95Å; K359-E363 WeakPolarHBondContact O-CB 3.45Å; K359-E363 WeakPolarHBondContact O-CG 3.41Å; K359-E363 PolarHBondContact O-N 3.15Å; K359-E363 VanDerWaalsContact O-N 3.08Å; K359-Y377 WeakPolarHBondContact CD-O 3.4Å; K359-Y377 WeakPolarHBondContact CE-O 3.24Å; K359-Y377 PolarHBondContact NZ-O 3.34Å
360I98.1Very high95.5Very high2 Ų246.7 Ų46.71%0.0124%0.243CC..Hα-helixtrans-60.6-46.1174.9-73.5165.6000109.7P356 Y357 F362 E363 A364 V393 Y396 H400 V401 Y404P356-I360 VanDerWaalsContact O-CG1 3.3Å; P356-I360 WeakPolarHBondContact O-CG1 3.28Å; P356-I360 PolarHBondContact O-N 3.34Å; P356-I360 VanDerWaalsContact O-N 3.1Å; Y357-I360 WeakPolarHBondContact O-CA 3.49Å; Y357-I360 WeakPolarHBondContact O-CB 3.32Å; Y357-I360 PolarHBondContact O-N 2.84Å; I360-F362 PolarHBondContact O-N 2.67Å; I360-E363 PolarHBondContact O-N 3.3Å; I360-A364 VanDerWaalsContact O-CB 3.31Å; I360-A364 WeakPolarHBondContact O-CB 3.45Å; I360-A364 PolarHBondContact O-N 2.78Å; I360-V393 HydrophobicContact CD1-CG1 3.67Å; I360-Y396 HydrophobicContact CB-CD1 4.33Å; I360-Y396 HydrophobicContact CB-CE1 4.17Å; I360-Y396 HydrophobicContact CD1-CD1 3.95Å; I360-Y396 HydrophobicContact CG2-CD1 4.04Å; I360-Y396 HydrophobicContact CG2-CE1 3.92Å; I360-H400 HydrophobicContact CG2-CB 3.51Å; I360-V401 HydrophobicContact CG2-CG1 4.03Å; I360-V401 HydrophobicContact CG2-CG2 4.28Å; I360-Y404 HydrophobicContact CD1-CD2 4.33Å; I360-Y404 HydrophobicContact CD1-CE2 3.69Å; I360-Y404 HydrophobicContact CG1-CD2 4.32Å; I360-Y404 HydrophobicContact CG1-CE2 3.75Å
361D97.8Very high95.8Very high64 Ų6444.3 Ų44.334%0.34223%0.227SC..Hα-helixtrans-63.6-39.9179.3-77.1-13.2000113Y357 D358 K359 E363 Y396 H400Y357-D361 PolarHBondContact O-N 2.97Å; D358-D361 PolarHBondContact O-N 2.94Å; K359-D361 VanDerWaalsContact C-N 3.33Å; D361-E363 VanDerWaalsContact C-N 3.32Å; D361-E363 PolarHBondContact O-N 3.02Å; D361-Y396 PolarHBondContact OD1-OH 3.35Å; D361-Y396 PolarHBondContact OD2-OH 3.36Å; D361-H400 IonicContact OD1-CD2 3.86Å; D361-H400 IonicContact OD1-NE2 3.66Å
362F97.9Very high96.2Very high4 Ų438.1 Ų38.12%0.01820%0.198CC..Hα-helixtrans-62-40.3174.3177.2-91.8000112V276 Y277 R283 L348 D358 K359 I360 P365V276-F362 HydrophobicContact CG1-CE2 4.12Å; V276-F362 HydrophobicContact CG1-CZ 3.79Å; V276-F362 HydrophobicContact CG2-CE2 4.37Å; V276-F362 HydrophobicContact CG2-CZ 4.34Å; Y277-F362 HydrophobicContact CD2-CB 4.27Å; Y277-F362 AromaticContact CD2-CD2 3.89Å; Y277-F362 HydrophobicContact CD2-CD2 3.89Å; Y277-F362 HydrophobicContact CD2-CG 4.24Å; Y277-F362 HydrophobicContact CE2-CB 4.5Å; R283-F362 HydrophobicContact CG-CD2 4.42Å; R283-F362 HydrophobicContact CG-CE2 4.01Å; L348-F362 HydrophobicContact CB-CD1 3.8Å; L348-F362 HydrophobicContact CB-CE1 4.02Å; L348-F362 HydrophobicContact CD1-CD1 3.93Å; L348-F362 HydrophobicContact CD1-CD2 4.34Å; L348-F362 HydrophobicContact CD1-CE1 3.88Å; L348-F362 HydrophobicContact CD1-CE2 4.29Å; L348-F362 HydrophobicContact CD1-CG 4.18Å; L348-F362 HydrophobicContact CD1-CZ 4.07Å; L348-F362 HydrophobicContact CG-CD1 4.4Å; D358-F362 WeakPolarHBondContact O-CB 3.44Å; D358-F362 PolarHBondContact O-N 2.8Å; K359-F362 PolarHBondContact O-N 2.99Å; I360-F362 PolarHBondContact O-N 2.67Å; F362-P365 WeakPolarHBondContact O-CD 3.48Å
363E98.2Very high96.4Very high1 Ų135.7 Ų35.71%0.00519%0.188CC..Hα-helixtrans-86.9-22.7-174.8-69.7-177.6-177.400113.9F346 H347 L348 K359 I360 D361 P365 Y366 P367 C376F346-E363 HydrophobicContact CD2-CB 4.11Å; F346-E363 HydrophobicContact CD2-CG 4.09Å; F346-E363 HydrophobicContact CE2-CB 3.94Å; F346-E363 HydrophobicContact CE2-CG 4.2Å; H347-E363 VanDerWaalsContact CA-OE1 3.28Å; H347-E363 WeakPolarHBondContact CA-OE1 3.46Å; H347-E363 IonicContact CD2-OE1 4Å; H347-E363 IonicContact CD2-OE2 2.63Å; H347-E363 IonicContact CG-OE1 3.9Å; L348-E363 PolarHBondContact N-OE1 3.46Å; K359-E363 WeakPolarHBondContact CE-OE1 3.41Å; K359-E363 VanDerWaalsContact NZ-CD 3.31Å; K359-E363 IonicContact NZ-OE1 2.88Å; K359-E363 PolarHBondContact NZ-OE1 2.99Å; K359-E363 IonicContact NZ-OE2 3.48Å; K359-E363 PolarHBondContact NZ-OE2 2.95Å; K359-E363 WeakPolarHBondContact O-CB 3.45Å; K359-E363 WeakPolarHBondContact O-CG 3.41Å; K359-E363 PolarHBondContact O-N 3.15Å; K359-E363 VanDerWaalsContact O-N 3.08Å; I360-E363 PolarHBondContact O-N 3.3Å; D361-E363 VanDerWaalsContact C-N 3.32Å; D361-E363 PolarHBondContact O-N 3.02Å; E363-P365 VanDerWaalsContact C-N 3.35Å; E363-Y366 WeakPolarHBondContact O-CD2 3.37Å; E363-Y366 PolarHBondContact O-N 3.48Å; E363-Y366 VanDerWaalsContact O-N 3.16Å; E363-P367 WeakPolarHBondContact O-CD 3.49Å; E363-C376 WeakPolarHBondContact OE2-CA 3.33Å; E363-C376 VanDerWaalsContact OE2-CB 3.25Å; E363-C376 WeakPolarHBondContact OE2-CB 3.4Å
364A97.9Very high96.7Very high22 Ų2227.4 Ų27.418%0.18215%0.152CC..THydrogen-bonded Turntrans-54.7-32-175.100000116.4I360 Y366 P367 V401I360-A364 VanDerWaalsContact O-CB 3.31Å; I360-A364 WeakPolarHBondContact O-CB 3.45Å; I360-A364 PolarHBondContact O-N 2.78Å; A364-Y366 VanDerWaalsContact C-N 3.28Å; A364-Y366 PolarHBondContact O-N 3.42Å; A364-P367 WeakPolarHBondContact O-CD 3.31Å; A364-V401 HydrophobicContact CB-CG1 4.11Å
365P98Very high96.9Very high53 Ų5325.4 Ų25.434%0.34414%0.14SC..THydrogen-bonded Turntrans-68.3-21.7178.5-2435.9000114.8I287 F362 E363I287-P365 HydrophobicContact CD1-CB 3.83Å; I287-P365 HydrophobicContact CD1-CG 4.2Å; I287-P365 HydrophobicContact CG1-CB 4.32Å; F362-P365 WeakPolarHBondContact O-CD 3.48Å; E363-P365 VanDerWaalsContact C-N 3.35Å
366Y98.4Very high97.1Very high1 Ų122.3 Ų22.30%0.00412%0.123CC..SBendtrans-84.3-40.7-169.8-61.4-83.4000115.5I287 V290 F346 E363 A364 P368 L369 A370I287-Y366 HydrophobicContact CG1-CE1 3.93Å; V290-Y366 HydrophobicContact CB-CD1 4.27Å; V290-Y366 HydrophobicContact CG1-CD1 4.44Å; V290-Y366 HydrophobicContact CG2-CD1 3.81Å; V290-Y366 HydrophobicContact CG2-CE1 3.96Å; F346-Y366 HydrophobicContact CB-CD1 3.61Å; F346-Y366 HydrophobicContact CB-CD2 3.67Å; F346-Y366 HydrophobicContact CB-CE1 4.03Å; F346-Y366 HydrophobicContact CB-CE2 4.1Å; F346-Y366 HydrophobicContact CB-CG 3.39Å; F346-Y366 HydrophobicContact CD1-CG 4.27Å; F346-Y366 AromaticContact CD2-CD2 3.88Å; F346-Y366 HydrophobicContact CD2-CD2 3.88Å; F346-Y366 HydrophobicContact CD2-CG 4.02Å; F346-Y366 VanDerWaalsContact CG-CB 3.43Å; F346-Y366 HydrophobicContact CG-CD1 4.3Å; F346-Y366 AromaticContact CG-CD2 3.93Å; F346-Y366 HydrophobicContact CG-CD2 3.93Å; F346-Y366 AromaticContact CG-CG 3.65Å; F346-Y366 HydrophobicContact CG-CG 3.65Å; E363-Y366 WeakPolarHBondContact O-CD2 3.37Å; E363-Y366 PolarHBondContact O-N 3.48Å; E363-Y366 VanDerWaalsContact O-N 3.16Å; A364-Y366 VanDerWaalsContact C-N 3.28Å; A364-Y366 PolarHBondContact O-N 3.42Å; Y366-P368 VanDerWaalsContact C-CD 3.48Å; Y366-L369 WeakPolarHBondContact O-CA 3.43Å; Y366-L369 WeakPolarHBondContact O-CB 3.44Å; Y366-L369 PolarHBondContact O-N 2.92Å; Y366-A370 PolarHBondContact O-N 3.04Å
367P98Very high97.2Very high1 Ų121.4 Ų21.41%0.00612%0.116CC..THydrogen-bonded Turntrans-53.4-41179.7-2732.6000115.6V143 F346 E363 A364 L369 A370 N371 F374 P402V143-P367 VanDerWaalsContact CG1-O 3.24Å; V143-P367 WeakPolarHBondContact CG1-O 3.48Å; F346-P367 HydrophobicContact CZ-CG 4.18Å; E363-P367 WeakPolarHBondContact O-CD 3.49Å; A364-P367 WeakPolarHBondContact O-CD 3.31Å; P367-L369 PolarHBondContact O-N 3.31Å; P367-A370 CarbonylContact O-C 3.52Å; P367-A370 PolarHBondContact O-N 3.47Å; P367-N371 PolarHBondContact O-N 3.39Å; P367-F374 HydrophobicContact CB-CB 3.98Å; P367-F374 HydrophobicContact CB-CD1 4.05Å; P367-F374 HydrophobicContact CB-CD2 4.25Å; P367-F374 HydrophobicContact CB-CG 3.81Å; P367-F374 HydrophobicContact CG-CB 4.23Å; P367-F374 HydrophobicContact CG-CG 4.49Å; P367-P402 HydrophobicContact CB-CG 3.66Å; P367-P402 HydrophobicContact CG-CG 4.31Å
368P97.4Very high96.9Very high59 Ų5917.5 Ų17.538%0.38310%0.101SC..THydrogen-bonded Turntrans-58-33173.5-24.934.9000113.9V143 R294 Y366V143-P368 HydrophobicContact CG2-CG 4.14Å; R294-P368 PolarHBondContact NH1-O 2.76Å; Y366-P368 VanDerWaalsContact C-CD 3.48Å
369L98.1Very high96.5Very high30 Ų3020.3 Ų20.316%0.15711%0.112CC..THydrogen-bonded Turntrans-80.3-48.5178-56.5176.6000110.9I287 V290 E291 R294 Y366 P367 N371I287-L369 HydrophobicContact CG2-CD1 3.88Å; V290-L369 HydrophobicContact CB-CD1 4.17Å; V290-L369 HydrophobicContact CG1-CB 3.67Å; V290-L369 HydrophobicContact CG1-CD1 4.1Å; E291-L369 HydrophobicContact CG-CD1 3.6Å; E291-L369 HydrophobicContact CG-CD2 3.77Å; E291-L369 HydrophobicContact CG-CG 4.33Å; R294-L369 VanDerWaalsContact CD-O 3.28Å; R294-L369 WeakPolarHBondContact CD-O 3.12Å; R294-L369 PolarHBondContact NH1-O 3.37Å; R294-L369 VanDerWaalsContact NH1-O 3.15Å; Y366-L369 WeakPolarHBondContact O-CA 3.43Å; Y366-L369 WeakPolarHBondContact O-CB 3.44Å; Y366-L369 PolarHBondContact O-N 2.92Å; P367-L369 PolarHBondContact O-N 3.31Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 3.02Å
370A97.6Very high95.9Very high0 Ų020.3 Ų20.30%011%0.111CC..SBendtrans-89.546.4-178.700000113.4Y260 L310 S312 Y366 P367 G372 G373 F374Y260-A370 HydrophobicContact CE1-CB 3.97Å; L310-A370 HydrophobicContact CD2-CB 4.21Å; L310-A370 HydrophobicContact CG-CB 4.19Å; L310-A370 CarbonylContact O-C 3.54Å; S312-A370 WeakPolarHBondContact OG-CB 3.22Å; Y366-A370 PolarHBondContact O-N 3.04Å; P367-A370 CarbonylContact O-C 3.52Å; P367-A370 PolarHBondContact O-N 3.47Å; A370-G372 PolarHBondContact O-N 3.19Å; A370-G373 CarbonylContact O-C 3.51Å; A370-G373 PolarHBondContact O-N 3.31Å; A370-G373 VanDerWaalsContact O-O 3.07Å; A370-F374 WeakPolarHBondContact O-CD1 3.11Å
371N95.9Very high95.2Very high32 Ų3224.3 Ų24.317%0.17114%0.138CC..THydrogen-bonded Turntrans-63.4-15.1-168.569.1-14.2000116V143 R294 P367 L369 G373V143-N371 HydrophobicContact CG1-CB 4.07Å; R294-N371 PolarHBondContact NH1-ND2 3.07Å; P367-N371 PolarHBondContact O-N 3.39Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 3.02Å; N371-G373 VanDerWaalsContact C-N 3.31Å
372G97Very high94.5Very high1 Ų123.4 Ų23.41%0.0113%0.133CC..THydrogen-bonded Turntrans-77.7-16.3175.300000113.5S155 F156 L310 A370S155-G372 CarbonylContact C-O 3.55Å; S155-G372 WeakPolarHBondContact CA-O 3.28Å; F156-G372 PolarHBondContact N-O 3.41Å; L310-G372 CarbonylContact O-C 3.59Å; L310-G372 WeakPolarHBondContact O-CA 3.25Å; L310-G372 PolarHBondContact O-N 3.46Å; A370-G372 PolarHBondContact O-N 3.19Å
373G97.1Very high93.9Very high0 Ų023.8 Ų23.80%014%0.135CC..BIsolated β-bridgetrans178.2135.116900000113.8R154 L310 S312 A370 N371R154-G373 WeakPolarHBondContact O-CA 3.19Å; L310-G373 PolarHBondContact O-N 3.06Å; S312-G373 WeakPolarHBondContact CB-O 3.37Å; S312-G373 PolarHBondContact N-O 3Å; S312-G373 PolarHBondContact OG-O 3.38Å; A370-G373 CarbonylContact O-C 3.51Å; A370-G373 PolarHBondContact O-N 3.31Å; A370-G373 VanDerWaalsContact O-O 3.07Å; N371-G373 VanDerWaalsContact C-N 3.31Å
374F97.3Very high93.3Very high0 Ų026 Ų260%015%0.145CC..  trans-157.4156.9-174.246.2-104.4000109.4V143 T144 F156 F346 P367 A370 P402 Y403V143-F374 HydrophobicContact CG1-CD1 4.16Å; V143-F374 HydrophobicContact CG1-CE1 3.42Å; V143-F374 VanDerWaalsContact CG1-CE1 3.42Å; V143-F374 HydrophobicContact CG1-CZ 3.86Å; T144-F374 HydrophobicContact CG2-CE1 4.07Å; T144-F374 HydrophobicContact CG2-CZ 4.01Å; F156-F374 HydrophobicContact CD2-CD1 4.32Å; F156-F374 HydrophobicContact CD2-CD2 4.23Å; F156-F374 AromaticContact CD2-CE1 3.79Å; F156-F374 HydrophobicContact CD2-CE1 3.79Å; F156-F374 AromaticContact CD2-CE2 3.68Å; F156-F374 HydrophobicContact CD2-CE2 3.68Å; F156-F374 AromaticContact CD2-CZ 3.45Å; F156-F374 HydrophobicContact CD2-CZ 3.45Å; F156-F374 VanDerWaalsContact CD2-CZ 3.45Å; F156-F374 AromaticContact CE2-CD2 3.79Å; F156-F374 HydrophobicContact CE2-CD2 3.79Å; F156-F374 HydrophobicContact CE2-CE1 4.26Å; F156-F374 AromaticContact CE2-CE2 3.27Å; F156-F374 HydrophobicContact CE2-CE2 3.27Å; F156-F374 HydrophobicContact CE2-CG 4.46Å; F156-F374 AromaticContact CE2-CZ 3.56Å; F156-F374 HydrophobicContact CE2-CZ 3.56Å; F156-F374 HydrophobicContact CG-CE1 4.38Å; F156-F374 HydrophobicContact CG-CZ 4Å; F156-F374 AromaticContact CZ-CE2 3.84Å; F156-F374 HydrophobicContact CZ-CE2 3.84Å; F156-F374 HydrophobicContact CZ-CZ 4.18Å; F346-F374 HydrophobicContact CE1-CB 4.08Å; F346-F374 HydrophobicContact CZ-CB 4.17Å; P367-F374 HydrophobicContact CB-CB 3.98Å; P367-F374 HydrophobicContact CB-CD1 4.05Å; P367-F374 HydrophobicContact CB-CD2 4.25Å; P367-F374 HydrophobicContact CB-CG 3.81Å; P367-F374 HydrophobicContact CG-CB 4.23Å; P367-F374 HydrophobicContact CG-CG 4.49Å; A370-F374 WeakPolarHBondContact O-CD1 3.11Å; F374-P402 HydrophobicContact CD2-CB 4.27Å; F374-P402 HydrophobicContact CD2-CG 3.43Å; F374-P402 VanDerWaalsContact CD2-CG 3.43Å; F374-P402 HydrophobicContact CE1-CG 4.42Å; F374-P402 HydrophobicContact CE2-CB 3.51Å; F374-P402 HydrophobicContact CE2-CG 3.13Å; F374-P402 HydrophobicContact CG-CG 4.21Å; F374-P402 HydrophobicContact CZ-CB 3.94Å; F374-P402 HydrophobicContact CZ-CG 3.69Å; F374-Y403 VanDerWaalsContact O-CD1 3.28Å; F374-Y403 WeakPolarHBondContact O-CD1 3.43Å
375I97Very high92.6Very high1 Ų133.5 Ų33.51%0.00518%0.176CC..  trans-162.3145.8164.7-170.7163.6000107R154 H347 Y377 Y403R154-I375 VanDerWaalsContact CD-CG2 3.49Å; H347-I375 PolarHBondContact NE2-O 3.09Å; I375-Y377 HydrophobicContact CD1-CD1 4.27Å; I375-Y377 HydrophobicContact CD1-CE1 3.34Å; I375-Y377 HydrophobicContact CG1-CD1 4.28Å; I375-Y377 HydrophobicContact CG1-CE1 3.75Å; I375-Y377 HydrophobicContact CG2-CE1 4.27Å; I375-Y377 HydrophobicContact CG2-CE2 4Å; I375-Y403 WeakPolarHBondContact CA-O 3.34Å; I375-Y403 HydrophobicContact CB-CD1 3.88Å; I375-Y403 HydrophobicContact CB-CE1 4.35Å; I375-Y403 HydrophobicContact CB-CG 4.27Å; I375-Y403 HydrophobicContact CD1-CD1 3.88Å; I375-Y403 HydrophobicContact CD1-CD2 4.18Å; I375-Y403 HydrophobicContact CD1-CE1 3.66Å; I375-Y403 HydrophobicContact CD1-CE2 4.01Å; I375-Y403 HydrophobicContact CD1-CG 4.15Å; I375-Y403 HydrophobicContact CG1-CD1 3.89Å; I375-Y403 HydrophobicContact CG1-CD2 4.28Å; I375-Y403 HydrophobicContact CG1-CE1 4.2Å; I375-Y403 HydrophobicContact CG1-CG 3.93Å
376C96.8Very high92.3Very high1 Ų135 Ų351%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-112146.1170-54.80000108.6E363 V401 Y403 Y404 G405E363-C376 WeakPolarHBondContact OE2-CA 3.33Å; E363-C376 VanDerWaalsContact OE2-CB 3.25Å; E363-C376 WeakPolarHBondContact OE2-CB 3.4Å; C376-V401 HydrophobicContact CB-CG1 4.47Å; C376-V401 HydrophobicContact CB-CG2 4.43Å; C376-Y403 PolarHBondContact N-O 3.05Å; C376-Y404 HydrophobicContact CB-CD2 4.08Å; C376-Y404 CarbonylContact O-C 3.56Å; C376-Y404 WeakPolarHBondContact O-CA 3.35Å; C376-G405 PolarHBondContact O-N 2.84Å
377Y93.8Very high92.1Very high12 Ų1237.2 Ų37.25%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-120.8141.7178.7-66.3-50.1000111.4H347 K359 I375 G405 C449H347-Y377 AromaticContact CE1-CD2 3.54Å; H347-Y377 AromaticContact CE1-CE2 3.84Å; K359-Y377 WeakPolarHBondContact CD-O 3.4Å; K359-Y377 WeakPolarHBondContact CE-O 3.24Å; K359-Y377 PolarHBondContact NZ-O 3.34Å; I375-Y377 HydrophobicContact CD1-CD1 4.27Å; I375-Y377 HydrophobicContact CD1-CE1 3.34Å; I375-Y377 HydrophobicContact CG1-CD1 4.28Å; I375-Y377 HydrophobicContact CG1-CE1 3.75Å; I375-Y377 HydrophobicContact CG2-CE1 4.27Å; I375-Y377 HydrophobicContact CG2-CE2 4Å; Y377-G405 WeakPolarHBondContact CA-O 3.21Å; Y377-C449 WeakPolarHBondContact CE2-O 3.49Å
378G90.3Very high91.9Very high1 Ų142.2 Ų42.21%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-107.5137161.600000110.7Y380 Y404 G405 N407G378-Y380 VanDerWaalsContact C-CE2 3.48Å; G378-Y380 VanDerWaalsContact O-CD2 3.25Å; G378-Y380 WeakPolarHBondContact O-CD2 3.37Å; G378-Y380 WeakPolarHBondContact O-CE2 3.26Å; G378-Y404 VanDerWaalsContact CA-OH 3.26Å; G378-Y404 WeakPolarHBondContact CA-OH 3.27Å; G378-Y404 PolarHBondContact N-OH 2.91Å; G378-G405 PolarHBondContact N-O 3.13Å; G378-G405 VanDerWaalsContact N-O 3.1Å; G378-N407 WeakPolarHBondContact O-CB 3.43Å; G378-N407 PolarHBondContact O-N 2.88Å
379E85.9Confident91.7Very high115 Ų11541.1 Ų41.154%0.53721%0.21SC..EExtended strand (participates in β ladder)trans-95.1127.2171.8-59-57144.800109.1N407E379-N407 PolarHBondContact OE1-ND2 2.97Å; E379-N407 WeakPolarHBondContact OE2-CB 3.45Å
380Y86.5Confident91.5Very high26 Ų2639.7 Ų39.710%0.10220%0.203CC..  trans-129.4149.2-176.4-61-93.9000110.6P356 G378 I383 L390 V393 Y404 T406 N407 P409P356-Y380 HydrophobicContact CB-CE1 4.45Å; P356-Y380 HydrophobicContact CG-CE1 4.01Å; G378-Y380 VanDerWaalsContact C-CE2 3.48Å; G378-Y380 VanDerWaalsContact O-CD2 3.25Å; G378-Y380 WeakPolarHBondContact O-CD2 3.37Å; G378-Y380 WeakPolarHBondContact O-CE2 3.26Å; Y380-I383 HydrophobicContact CD1-CG2 4.26Å; Y380-I383 HydrophobicContact CG-CG2 4.42Å; Y380-L390 HydrophobicContact CE1-CD1 4.46Å; Y380-L390 HydrophobicContact CE2-CD1 4.45Å; Y380-V393 HydrophobicContact CE1-CB 4.48Å; Y380-V393 HydrophobicContact CE1-CG2 4.11Å; Y380-V393 WeakPolarHBondContact OH-CB 3.26Å; Y380-V393 WeakPolarHBondContact OH-CG1 3.34Å; Y380-Y404 PolarHBondContact OH-OH 3.38Å; Y380-T406 HydrophobicContact CD2-CG2 3.58Å; Y380-T406 HydrophobicContact CE2-CG2 3.71Å; Y380-T406 HydrophobicContact CG-CG2 4.39Å; Y380-N407 PolarHBondContact N-O 3.22Å; Y380-P409 WeakPolarHBondContact O-CD 3.43Å
381P82.8Confident91.5Very high87 Ų8740 Ų4057%0.56520%0.204SC*.SBendtrans-65.5-173.7162.732.1-36000110.2I383 T408P381-I383 WeakPolarHBondContact O-CG2 3.24Å; P381-I383 PolarHBondContact O-N 2.82Å; P381-I383 VanDerWaalsContact O-N 3.08Å; P381-T408 PolarHBondContact O-OG1 3.25Å
382N83Confident91.5Very high45 Ų4541.4 Ų41.424%0.24121%0.212CC..  trans-59.8115.8167.8-178.9-9.1000110.3Q384 G420N382-Q384 WeakPolarHBondContact OD1-CB 3.31Å; N382-Q384 WeakPolarHBondContact OD1-CG 3.43Å; N382-Q384 PolarHBondContact OD1-N 3.45Å; N382-G420 WeakPolarHBondContact ND2-CA 3.3Å
383I85Confident91.5Very high11 Ų1141.6 Ų41.66%0.05621%0.213CC..  trans-1098.7-174.948.5165.4000113.6Y380 P381 H385 N386 L390 T406 T408Y380-I383 HydrophobicContact CD1-CG2 4.26Å; Y380-I383 HydrophobicContact CG-CG2 4.42Å; P381-I383 WeakPolarHBondContact O-CG2 3.24Å; P381-I383 PolarHBondContact O-N 2.82Å; P381-I383 VanDerWaalsContact O-N 3.08Å; I383-H385 PolarHBondContact O-N 2.81Å; I383-H385 VanDerWaalsContact O-N 3.1Å; I383-N386 CarbonylContact O-C 3.56Å; I383-N386 PolarHBondContact O-N 2.88Å; I383-L390 HydrophobicContact CD1-CB 3.98Å; I383-L390 HydrophobicContact CD1-CD1 3.77Å; I383-L390 HydrophobicContact CD1-CD2 3.68Å; I383-L390 HydrophobicContact CD1-CG 3.99Å; I383-T406 HydrophobicContact CD1-CG2 3.96Å; I383-T408 HydrophobicContact CD1-CG2 4.48Å; I383-T408 HydrophobicContact CG1-CG2 4.33Å
384Q85.1Confident91.5Very high48 Ų4841.7 Ų41.722%0.22421%0.213CC..THydrogen-bonded Turntrans-58.7-27.5-179.2-68.8-175.323.800113.3S127 K128 N382S127-Q384 WeakPolarHBondContact O-CG 3.42Å; S127-Q384 PolarHBondContact O-NE2 2.82Å; K128-Q384 HydrophobicContact CG-CG 4.25Å; N382-Q384 WeakPolarHBondContact OD1-CB 3.31Å; N382-Q384 WeakPolarHBondContact OD1-CG 3.43Å; N382-Q384 PolarHBondContact OD1-N 3.45Å
385H84.5Confident91.6Very high179 Ų17943.4 Ų43.483%0.82922%0.222SC*.THydrogen-bonded Turntrans-92.7-1178.2-56.3-53.5000113.8I383I383-H385 PolarHBondContact O-N 2.81Å; I383-H385 VanDerWaalsContact O-N 3.1Å
386N90.4Very high91.6Very high85 Ų8546.1 Ų46.146%0.45523%0.233SC..  trans-142.560.5-177-164.8-2.9000111.9I383 K388 A389 L390I383-N386 CarbonylContact O-C 3.56Å; I383-N386 PolarHBondContact O-N 2.88Å; N386-K388 PolarHBondContact O-N 3.49Å; N386-A389 HydrophobicContact CB-CB 4.43Å; N386-A389 WeakPolarHBondContact ND2-CB 3.31Å; N386-A389 PolarHBondContact O-N 2.94Å; N386-A389 WeakPolarHBondContact OD1-CB 3.46Å; N386-A389 PolarHBondContact OD1-N 2.77Å; N386-A389 VanDerWaalsContact OD1-N 3.13Å; N386-L390 PolarHBondContact O-N 3.45Å
387L93.7Very high91.7Very high48 Ų4846.1 Ų46.125%0.25123%0.233SC..Hα-helixtrans-59.2-26.7175.8-61.8-176.7000112.6E124 S127 L390 E391E124-L387 HydrophobicContact CB-CD1 4.28Å; S127-L387 VanDerWaalsContact CB-CD2 3.47Å; S127-L387 WeakPolarHBondContact OG-CD2 3.41Å; L387-L390 PolarHBondContact O-N 3.01Å; L387-E391 WeakPolarHBondContact O-CB 3.35Å; L387-E391 PolarHBondContact O-N 3.36Å
388K94.3Very high91.9Very high106 Ų10646 Ų4646%0.46123%0.233SC..Hα-helixtrans-66.4-42.1179-174.854.3-176.81460111.9N386 L390 E391 D392N386-K388 PolarHBondContact O-N 3.49Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 3.06Å; K388-E391 WeakPolarHBondContact CD-OE2 3.27Å; K388-E391 IonicContact NZ-OE2 2.77Å; K388-E391 PolarHBondContact NZ-OE2 2.85Å; K388-E391 WeakPolarHBondContact O-CB 3.36Å; K388-E391 PolarHBondContact O-N 3.49Å; K388-D392 WeakPolarHBondContact CE-OD1 3.46Å; K388-D392 IonicContact NZ-OD1 3.67Å; K388-D392 PolarHBondContact NZ-OD1 2.98Å; K388-D392 PolarHBondContact O-N 2.86Å
389A92.9Very high92.1Very high35 Ų3552.1 Ų52.129%0.28926%0.261SS..Hα-helixtrans-63.1-38.2174.800000112.4N386 D392 V393N386-A389 HydrophobicContact CB-CB 4.43Å; N386-A389 WeakPolarHBondContact ND2-CB 3.31Å; N386-A389 PolarHBondContact O-N 2.94Å; N386-A389 WeakPolarHBondContact OD1-CB 3.46Å; N386-A389 PolarHBondContact OD1-N 2.77Å; N386-A389 VanDerWaalsContact OD1-N 3.13Å; A389-D392 PolarHBondContact O-N 3.36Å; A389-V393 PolarHBondContact O-N 3.04Å
390L95.1Very high92.7Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-64.1-44.3173.4-179.762.8000111.2L123 A126 Y380 I383 N386 L387 K388 D392 V393 W394 T406L123-L390 HydrophobicContact CD2-CB 4.17Å; L123-L390 HydrophobicContact CD2-CD2 3.63Å; L123-L390 HydrophobicContact CD2-CG 3.64Å; A126-L390 HydrophobicContact CB-CD2 4.16Å; Y380-L390 HydrophobicContact CE1-CD1 4.46Å; Y380-L390 HydrophobicContact CE2-CD1 4.45Å; I383-L390 HydrophobicContact CD1-CB 3.98Å; I383-L390 HydrophobicContact CD1-CD1 3.77Å; I383-L390 HydrophobicContact CD1-CD2 3.68Å; I383-L390 HydrophobicContact CD1-CG 3.99Å; N386-L390 PolarHBondContact O-N 3.45Å; L387-L390 PolarHBondContact O-N 3.01Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 3.06Å; L390-D392 VanDerWaalsContact C-N 3.32Å; L390-D392 PolarHBondContact O-N 3.26Å; L390-V393 PolarHBondContact O-N 3.43Å; L390-W394 HydrophobicContact CD2-CZ2 4.4Å; L390-W394 PolarHBondContact O-N 3.08Å; L390-T406 HydrophobicContact CD1-CG2 3.45Å; L390-T406 VanDerWaalsContact CD1-CG2 3.45Å; L390-T406 HydrophobicContact CD2-CG2 4.49Å
391E96.9Very high93.3Very high6 Ų648 Ų483%0.02824%0.242CC..Hα-helixtrans-57.9-44.7177.2-172.8178.7-144.100111.7Y116 K119 Q120 L123 L387 K388 V393 W394 D395Y116-E391 VanDerWaalsContact CE2-OE1 3.22Å; Y116-E391 WeakPolarHBondContact CE2-OE1 3.13Å; Y116-E391 PolarHBondContact OH-OE1 2.89Å; Y116-E391 PolarHBondContact OH-OE2 3.12Å; K119-E391 VanDerWaalsContact NZ-CG 3.27Å; K119-E391 IonicContact NZ-OE1 3.74Å; K119-E391 PolarHBondContact NZ-OE1 3.12Å; Q120-E391 PolarHBondContact NE2-OE1 2.8Å; L123-E391 HydrophobicContact CD1-CB 3.71Å; L123-E391 HydrophobicContact CD1-CG 3.85Å; L123-E391 HydrophobicContact CD2-CB 4.22Å; L387-E391 WeakPolarHBondContact O-CB 3.35Å; L387-E391 PolarHBondContact O-N 3.36Å; K388-E391 WeakPolarHBondContact CD-OE2 3.27Å; K388-E391 IonicContact NZ-OE2 2.77Å; K388-E391 PolarHBondContact NZ-OE2 2.85Å; K388-E391 WeakPolarHBondContact O-CB 3.36Å; K388-E391 PolarHBondContact O-N 3.49Å; E391-V393 VanDerWaalsContact C-N 3.29Å; E391-V393 PolarHBondContact O-N 2.81Å; E391-W394 WeakPolarHBondContact O-CB 3.35Å; E391-W394 PolarHBondContact O-N 2.99Å; E391-W394 VanDerWaalsContact O-N 3.14Å; E391-D395 WeakPolarHBondContact O-CB 3.33Å; E391-D395 VanDerWaalsContact O-CG 3.27Å; E391-D395 PolarHBondContact O-N 2.62Å
392D96.3Very high94Very high63 Ų6344 Ų4434%0.33722%0.216SC..Hα-helixtrans-62.3-37.2-178.3-66.3-19.9000111.8K388 A389 L390 Y396K388-D392 WeakPolarHBondContact CE-OD1 3.46Å; K388-D392 IonicContact NZ-OD1 3.67Å; K388-D392 PolarHBondContact NZ-OD1 2.98Å; K388-D392 PolarHBondContact O-N 2.86Å; A389-D392 PolarHBondContact O-N 3.36Å; L390-D392 VanDerWaalsContact C-N 3.32Å; L390-D392 PolarHBondContact O-N 3.26Å; D392-Y396 WeakPolarHBondContact O-CB 3.46Å; D392-Y396 PolarHBondContact O-N 3.09Å
393V96.9Very high94.7Very high5 Ų541.8 Ų41.83%0.0321%0.205CC..Hα-helixtrans-75.5-34.8174.6-172.20000112.1P356 Y357 I360 Y380 A389 L390 E391 D395 Y396 S397 Y404P356-V393 HydrophobicContact CB-CG1 3.91Å; P356-V393 HydrophobicContact CB-CG2 4.11Å; Y357-V393 HydrophobicContact CE1-CG2 4.16Å; Y357-V393 HydrophobicContact CE2-CG2 4.24Å; I360-V393 HydrophobicContact CD1-CG1 3.67Å; Y380-V393 HydrophobicContact CE1-CB 4.48Å; Y380-V393 HydrophobicContact CE1-CG2 4.11Å; Y380-V393 WeakPolarHBondContact OH-CB 3.26Å; Y380-V393 WeakPolarHBondContact OH-CG1 3.34Å; A389-V393 PolarHBondContact O-N 3.04Å; L390-V393 PolarHBondContact O-N 3.43Å; E391-V393 VanDerWaalsContact C-N 3.29Å; E391-V393 PolarHBondContact O-N 2.81Å; V393-D395 VanDerWaalsContact C-N 3.33Å; V393-Y396 PolarHBondContact O-N 2.96Å; V393-S397 WeakPolarHBondContact O-CB 3.4Å; V393-S397 PolarHBondContact O-N 3.16Å; V393-Y404 HydrophobicContact CG1-CE1 4.45Å; V393-Y404 WeakPolarHBondContact CG1-OH 3.46Å
394W97.9Very high95.3Very high1 Ų141.3 Ų41.30%0.00420%0.202CC..Hα-helixtrans-59.8-45.8171.8-80.726.2000110.9F101 I103 A122 L123 A126 P132 I134 L390 E391 Y396 S397 Y398 T406F101-W394 HydrophobicContact CD1-CZ3 4.46Å; I103-W394 HydrophobicContact CD1-CE3 3.84Å; I103-W394 HydrophobicContact CD1-CZ3 4.42Å; A122-W394 HydrophobicContact CB-CH2 4.36Å; A122-W394 HydrophobicContact CB-CZ3 4.22Å; L123-W394 HydrophobicContact CD2-CD2 3.62Å; L123-W394 HydrophobicContact CD2-CE3 3.53Å; L123-W394 HydrophobicContact CD2-CG 4.15Å; L123-W394 HydrophobicContact CD2-CH2 4.27Å; L123-W394 HydrophobicContact CD2-CZ2 4.34Å; L123-W394 HydrophobicContact CD2-CZ3 3.88Å; L123-W394 HydrophobicContact CG-CE3 4.05Å; L123-W394 HydrophobicContact CG-CZ3 4.04Å; A126-W394 HydrophobicContact CB-CH2 4.13Å; A126-W394 HydrophobicContact CB-CZ2 3.76Å; P132-W394 HydrophobicContact CG-CH2 4.26Å; I134-W394 HydrophobicContact CD1-CB 3.85Å; I134-W394 HydrophobicContact CD1-CD2 3.78Å; I134-W394 HydrophobicContact CD1-CE3 4.25Å; I134-W394 HydrophobicContact CD1-CG 3.62Å; I134-W394 HydrophobicContact CG2-CD2 3.82Å; I134-W394 HydrophobicContact CG2-CE3 3.56Å; I134-W394 HydrophobicContact CG2-CH2 3.41Å; I134-W394 VanDerWaalsContact CG2-CH2 3.41Å; I134-W394 HydrophobicContact CG2-CZ2 3.67Å; I134-W394 HydrophobicContact CG2-CZ3 3.36Å; L390-W394 HydrophobicContact CD2-CZ2 4.4Å; L390-W394 PolarHBondContact O-N 3.08Å; E391-W394 WeakPolarHBondContact O-CB 3.35Å; E391-W394 PolarHBondContact O-N 2.99Å; E391-W394 VanDerWaalsContact O-N 3.14Å; W394-Y396 VanDerWaalsContact C-N 3.35Å; W394-S397 WeakPolarHBondContact O-CB 3.34Å; W394-S397 PolarHBondContact O-N 2.7Å; W394-S397 PolarHBondContact O-OG 2.91Å; W394-Y398 PolarHBondContact O-N 3.04Å; W394-T406 PolarHBondContact NE1-OG1 3.47Å
395D97.8Very high95.8Very high36 Ų3639 Ų3919%0.19319%0.191CC..Hα-helixtrans-65.2-38.9178.1-69.8-8.2000111.5H109 K119 E391 V393 Y398H109-D395 IonicContact CD2-OD1 3.43Å; H109-D395 PolarHBondContact CD2-OD1 3.37Å; H109-D395 IonicContact NE2-OD1 2.9Å; H109-D395 PolarHBondContact NE2-OD1 3.49Å; K119-D395 WeakPolarHBondContact CE-OD1 3.38Å; K119-D395 IonicContact NZ-OD1 3.85Å; K119-D395 PolarHBondContact NZ-OD1 2.83Å; K119-D395 IonicContact NZ-OD2 2.86Å; K119-D395 PolarHBondContact NZ-OD2 3.49Å; E391-D395 WeakPolarHBondContact O-CB 3.33Å; E391-D395 VanDerWaalsContact O-CG 3.27Å; E391-D395 PolarHBondContact O-N 2.62Å; V393-D395 VanDerWaalsContact C-N 3.33Å; D395-Y398 VanDerWaalsContact O-CB 3.3Å; D395-Y398 WeakPolarHBondContact O-CB 3.31Å; D395-Y398 PolarHBondContact O-N 2.88Å
396Y98Very high96.2Very high59 Ų5930.6 Ų30.623%0.23115%0.152CC..Hα-helixtrans-63.1-47.2171.8-170.6-99000111.3Y357 I360 D361 D392 V393 W394 Y398 Q399 H400Y357-Y396 AromaticContact CD1-CD1 3.6Å; Y357-Y396 HydrophobicContact CD1-CD1 3.6Å; Y357-Y396 AromaticContact CD1-CD2 3.73Å; Y357-Y396 HydrophobicContact CD1-CD2 3.73Å; Y357-Y396 AromaticContact CD1-CE1 3.96Å; Y357-Y396 HydrophobicContact CD1-CE1 3.96Å; Y357-Y396 HydrophobicContact CD1-CE2 4.1Å; Y357-Y396 AromaticContact CD1-CG 3.45Å; Y357-Y396 HydrophobicContact CD1-CG 3.45Å; Y357-Y396 VanDerWaalsContact CD1-CG 3.45Å; Y357-Y396 HydrophobicContact CE1-CD1 4.41Å; Y357-Y396 HydrophobicContact CE1-CD2 4.18Å; Y357-Y396 AromaticContact CE1-CG 3.9Å; Y357-Y396 HydrophobicContact CE1-CG 3.9Å; Y357-Y396 HydrophobicContact CG-CD1 4.47Å; I360-Y396 HydrophobicContact CB-CD1 4.33Å; I360-Y396 HydrophobicContact CB-CE1 4.17Å; I360-Y396 HydrophobicContact CD1-CD1 3.95Å; I360-Y396 HydrophobicContact CG2-CD1 4.04Å; I360-Y396 HydrophobicContact CG2-CE1 3.92Å; D361-Y396 PolarHBondContact OD1-OH 3.35Å; D361-Y396 PolarHBondContact OD2-OH 3.36Å; D392-Y396 WeakPolarHBondContact O-CB 3.46Å; D392-Y396 PolarHBondContact O-N 3.09Å; V393-Y396 PolarHBondContact O-N 2.96Å; W394-Y396 VanDerWaalsContact C-N 3.35Å; Y396-Y398 PolarHBondContact O-N 3.17Å; Y396-Y398 VanDerWaalsContact O-N 3.16Å; Y396-Q399 PolarHBondContact O-N 2.96Å; Y396-Q399 VanDerWaalsContact O-N 3.16Å; Y396-H400 AromaticContact CD1-ND1 3.83Å; Y396-H400 AromaticContact CD2-CE1 3.83Å; Y396-H400 AromaticContact CE1-CE1 3.84Å; Y396-H400 AromaticContact CE1-ND1 3.78Å; Y396-H400 AromaticContact CE2-CE1 3.48Å; Y396-H400 VanDerWaalsContact CE2-CE1 3.48Å; Y396-H400 WeakPolarHBondContact CE2-CE1 3.44Å; Y396-H400 AromaticContact CZ-CE1 3.5Å; Y396-H400 AromaticContact CZ-ND1 3.93Å; Y396-H400 AromaticContact CZ-NE2 3.76Å; Y396-H400 PolarHBondContact O-ND1 3Å
397S98Very high96.1Very high0 Ų026.8 Ų26.80%013%0.132CC..Hα-helixtrans-58.1-32.4178.385.80000112.2I134 N136 V393 W394 Q399 H400 V401I134-S397 WeakPolarHBondContact CD1-OG 3.28Å; N136-S397 PolarHBondContact ND2-O 2.8Å; N136-S397 PolarHBondContact ND2-OG 2.82Å; N136-S397 VanDerWaalsContact ND2-OG 3.09Å; V393-S397 WeakPolarHBondContact O-CB 3.4Å; V393-S397 PolarHBondContact O-N 3.16Å; W394-S397 WeakPolarHBondContact O-CB 3.34Å; W394-S397 PolarHBondContact O-N 2.7Å; W394-S397 PolarHBondContact O-OG 2.91Å; S397-Q399 PolarHBondContact O-N 3.43Å; S397-Q399 VanDerWaalsContact O-N 3.17Å; S397-H400 PolarHBondContact O-N 2.71Å; S397-V401 PolarHBondContact O-N 2.63Å; S397-V401 VanDerWaalsContact O-O 3.13Å
398Y98.1Very high95.7Very high11 Ų1124.7 Ų24.74%0.04312%0.121CC..Hα-helixtrans-53.8-36.9179.4-172.4-91000112.9I103 D105 H109 N136 D138 Q139 W394 D395 Y396I103-Y398 HydrophobicContact CB-CD2 4.03Å; I103-Y398 HydrophobicContact CB-CE2 4.17Å; I103-Y398 HydrophobicContact CG2-CD2 3.54Å; I103-Y398 HydrophobicContact CG2-CE2 3.7Å; I103-Y398 WeakPolarHBondContact O-CE2 3.01Å; D105-Y398 HydrophobicContact CB-CE1 4.2Å; D105-Y398 PolarHBondContact N-OH 3.16Å; H109-Y398 AromaticContact CE1-CD1 3.46Å; H109-Y398 VanDerWaalsContact CE1-CD1 3.46Å; H109-Y398 WeakPolarHBondContact CE1-CD1 3.3Å; H109-Y398 AromaticContact CE1-CE1 3.98Å; H109-Y398 AromaticContact CE1-CG 3.67Å; H109-Y398 AromaticContact ND1-CD1 3.94Å; H109-Y398 AromaticContact NE2-CG 3.75Å; N136-Y398 HydrophobicContact CB-CD2 3.89Å; N136-Y398 HydrophobicContact CB-CE2 4.4Å; N136-Y398 HydrophobicContact CB-CG 4.44Å; N136-Y398 WeakPolarHBondContact ND2-CA 3.25Å; N136-Y398 PolarHBondContact ND2-N 3.48Å; D138-Y398 WeakPolarHBondContact OD2-CE1 3.32Å; D138-Y398 PolarHBondContact OD2-OH 2.74Å; Q139-Y398 WeakPolarHBondContact CG-O 3.25Å; W394-Y398 PolarHBondContact O-N 3.04Å; D395-Y398 VanDerWaalsContact O-CB 3.3Å; D395-Y398 WeakPolarHBondContact O-CB 3.31Å; D395-Y398 PolarHBondContact O-N 2.88Å; Y396-Y398 PolarHBondContact O-N 3.17Å; Y396-Y398 VanDerWaalsContact O-N 3.16Å
399Q95.7Very high95Very high128 Ų12820.1 Ų20.160%0.59810%0.102SC*.Hα-helixtrans-87.4-15.9-177.1-60.3-179.62.300113.4Q139 Y396 S397Q139-Q399 PolarHBondContact NE2-O 2.71Å; Y396-Q399 PolarHBondContact O-N 2.96Å; Y396-Q399 VanDerWaalsContact O-N 3.16Å; S397-Q399 PolarHBondContact O-N 3.43Å; S397-Q399 VanDerWaalsContact O-N 3.17Å
400H98Very high94.5Very high55 Ų5518.6 Ų18.626%0.2559%0.089SC..Hα-helixtrans-117.5-41.2-165.7-62.983.4000113.6I360 D361 Y396 S397I360-H400 HydrophobicContact CG2-CB 3.51Å; D361-H400 IonicContact OD1-CD2 3.86Å; D361-H400 IonicContact OD1-NE2 3.66Å; Y396-H400 AromaticContact CD1-ND1 3.83Å; Y396-H400 AromaticContact CD2-CE1 3.83Å; Y396-H400 AromaticContact CE1-CE1 3.84Å; Y396-H400 AromaticContact CE1-ND1 3.78Å; Y396-H400 AromaticContact CE2-CE1 3.48Å; Y396-H400 VanDerWaalsContact CE2-CE1 3.48Å; Y396-H400 WeakPolarHBondContact CE2-CE1 3.44Å; Y396-H400 AromaticContact CZ-CE1 3.5Å; Y396-H400 AromaticContact CZ-ND1 3.93Å; Y396-H400 AromaticContact CZ-NE2 3.76Å; Y396-H400 PolarHBondContact O-ND1 3Å; S397-H400 PolarHBondContact O-N 2.71Å
401V98.2Very high94.1Very high0 Ų018.7 Ų18.70%09%0.09CC..  trans-132.7144.4-171-67.20000112.7N136 I360 A364 C376 S397 Y404N136-V401 WeakPolarHBondContact CB-O 3.23Å; N136-V401 PolarHBondContact ND2-O 3.03Å; I360-V401 HydrophobicContact CG2-CG1 4.03Å; I360-V401 HydrophobicContact CG2-CG2 4.28Å; A364-V401 HydrophobicContact CB-CG1 4.11Å; C376-V401 HydrophobicContact CB-CG1 4.47Å; C376-V401 HydrophobicContact CB-CG2 4.43Å; S397-V401 PolarHBondContact O-N 2.63Å; S397-V401 VanDerWaalsContact O-O 3.13Å; V401-Y404 HydrophobicContact CG2-CD2 4.17Å
402P98.1Very high93.6Very high2 Ų219.6 Ų19.61%0.0139%0.094CC..SBendtrans-77.2-35.3-176.329.5-37.9000114.7L135 N136 Q139 V140 V143 P367 F374L135-P402 WeakPolarHBondContact CA-O 3.34Å; N136-P402 PolarHBondContact N-O 3.31Å; Q139-P402 HydrophobicContact CB-CB 3.97Å; V140-P402 HydrophobicContact CB-CB 4.46Å; V140-P402 HydrophobicContact CG2-CB 3.74Å; V140-P402 WeakPolarHBondContact CG2-O 3.43Å; V143-P402 HydrophobicContact CG2-CB 4.43Å; V143-P402 HydrophobicContact CG2-CG 4.17Å; P367-P402 HydrophobicContact CB-CG 3.66Å; P367-P402 HydrophobicContact CG-CG 4.31Å; F374-P402 HydrophobicContact CD2-CB 4.27Å; F374-P402 HydrophobicContact CD2-CG 3.43Å; F374-P402 VanDerWaalsContact CD2-CG 3.43Å; F374-P402 HydrophobicContact CE1-CG 4.42Å; F374-P402 HydrophobicContact CE2-CB 3.51Å; F374-P402 HydrophobicContact CE2-CG 3.13Å; F374-P402 HydrophobicContact CG-CG 4.21Å; F374-P402 HydrophobicContact CZ-CB 3.94Å; F374-P402 HydrophobicContact CZ-CG 3.69Å
403Y98.4Very high93.2Very high0 Ų016.7 Ų16.70%08%0.078CC..EExtended strand (participates in β ladder)trans-134.9118.8-176.2-170.5-167.2000110K98 V100 D133 I134 L135 P150 R154 F156 F374 I375 C376K98-Y403 WeakPolarHBondContact CE-OH 3.5Å; K98-Y403 PolarHBondContact NZ-OH 3.37Å; V100-Y403 HydrophobicContact CG1-CE2 3.95Å; V100-Y403 HydrophobicContact CG2-CE2 4.36Å; V100-Y403 VanDerWaalsContact CG2-OH 3.27Å; V100-Y403 WeakPolarHBondContact CG2-OH 3.33Å; D133-Y403 HydrophobicContact CB-CD2 4.44Å; D133-Y403 HydrophobicContact CB-CE2 3.53Å; D133-Y403 PolarHBondContact OD2-OH 3.08Å; I134-Y403 VanDerWaalsContact O-CD2 3.32Å; I134-Y403 WeakPolarHBondContact O-CD2 3.28Å; L135-Y403 HydrophobicContact CD2-CD1 4.36Å; L135-Y403 HydrophobicContact CD2-CD2 3.58Å; L135-Y403 HydrophobicContact CD2-CE2 4.1Å; L135-Y403 HydrophobicContact CD2-CG 3.71Å; L135-Y403 HydrophobicContact CG-CD2 4.27Å; L135-Y403 HydrophobicContact CG-CE2 4.49Å; P150-Y403 HydrophobicContact CB-CE1 4.36Å; P150-Y403 HydrophobicContact CG-CE1 3.9Å; R154-Y403 HydrophobicContact CB-CD1 4.19Å; R154-Y403 HydrophobicContact CB-CE1 3.94Å; F156-Y403 AromaticContact CE2-CD1 3.81Å; F156-Y403 HydrophobicContact CE2-CD1 3.81Å; F156-Y403 HydrophobicContact CE2-CG 4.46Å; F156-Y403 AromaticContact CZ-CD1 3.77Å; F156-Y403 HydrophobicContact CZ-CD1 3.77Å; F156-Y403 HydrophobicContact CZ-CE1 4.39Å; F156-Y403 HydrophobicContact CZ-CG 4.18Å; F374-Y403 VanDerWaalsContact O-CD1 3.28Å; F374-Y403 WeakPolarHBondContact O-CD1 3.43Å; I375-Y403 WeakPolarHBondContact CA-O 3.34Å; I375-Y403 HydrophobicContact CB-CD1 3.88Å; I375-Y403 HydrophobicContact CB-CE1 4.35Å; I375-Y403 HydrophobicContact CB-CG 4.27Å; I375-Y403 HydrophobicContact CD1-CD1 3.88Å; I375-Y403 HydrophobicContact CD1-CD2 4.18Å; I375-Y403 HydrophobicContact CD1-CE1 3.66Å; I375-Y403 HydrophobicContact CD1-CE2 4.01Å; I375-Y403 HydrophobicContact CD1-CG 4.15Å; I375-Y403 HydrophobicContact CG1-CD1 3.89Å; I375-Y403 HydrophobicContact CG1-CD2 4.28Å; I375-Y403 HydrophobicContact CG1-CE1 4.2Å; I375-Y403 HydrophobicContact CG1-CG 3.93Å; C376-Y403 PolarHBondContact N-O 3.05Å
404Y97.9Very high92.8Very high1 Ų119.4 Ų19.40%0.0049%0.089CC..EExtended strand (participates in β ladder)trans-129133.5-173.9-173.1-99.3000111.6I134 I360 C376 G378 Y380 V393 V401I134-Y404 HydrophobicContact CD1-CD1 4.18Å; I134-Y404 HydrophobicContact CG1-CD1 4.22Å; I134-Y404 HydrophobicContact CG1-CG 4.5Å; I134-Y404 PolarHBondContact N-O 2.78Å; I134-Y404 PolarHBondContact O-N 3.01Å; I360-Y404 HydrophobicContact CD1-CD2 4.33Å; I360-Y404 HydrophobicContact CD1-CE2 3.69Å; I360-Y404 HydrophobicContact CG1-CD2 4.32Å; I360-Y404 HydrophobicContact CG1-CE2 3.75Å; C376-Y404 HydrophobicContact CB-CD2 4.08Å; C376-Y404 CarbonylContact O-C 3.56Å; C376-Y404 WeakPolarHBondContact O-CA 3.35Å; G378-Y404 VanDerWaalsContact CA-OH 3.26Å; G378-Y404 WeakPolarHBondContact CA-OH 3.27Å; G378-Y404 PolarHBondContact N-OH 2.91Å; Y380-Y404 PolarHBondContact OH-OH 3.38Å; V393-Y404 HydrophobicContact CG1-CE1 4.45Å; V393-Y404 WeakPolarHBondContact CG1-OH 3.46Å; V401-Y404 HydrophobicContact CG2-CD2 4.17Å
405G95.1Very high92.4Very high0 Ų023.7 Ų23.70%011%0.109CC..EExtended strand (participates in β ladder)trans-116.8146.7173.600000111.4D133 C376 Y377 G378D133-G405 WeakPolarHBondContact OD1-CA 3.21Å; C376-G405 PolarHBondContact O-N 2.84Å; Y377-G405 WeakPolarHBondContact CA-O 3.21Å; G378-G405 PolarHBondContact N-O 3.13Å; G378-G405 VanDerWaalsContact N-O 3.1Å
406T92.6Very high92.1Very high1 Ų123.8 Ų23.81%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-105.5123.3176.8-59.60000108.8M130 Y380 I383 L390 W394M130-T406 WeakPolarHBondContact CG-O 3.37Å; Y380-T406 HydrophobicContact CD2-CG2 3.58Å; Y380-T406 HydrophobicContact CE2-CG2 3.71Å; Y380-T406 HydrophobicContact CG-CG2 4.39Å; I383-T406 HydrophobicContact CD1-CG2 3.96Å; L390-T406 HydrophobicContact CD1-CG2 3.45Å; L390-T406 VanDerWaalsContact CD1-CG2 3.45Å; L390-T406 HydrophobicContact CD2-CG2 4.49Å; W394-T406 PolarHBondContact NE1-OG1 3.47Å
407N87.4Confident91.6Very high6 Ų623.6 Ų23.63%0.03213%0.128CC..EExtended strand (participates in β ladder)trans-106.7121.5174.4-65.7-17.7000108.7G378 E379 Y380 R447G378-N407 WeakPolarHBondContact O-CB 3.43Å; G378-N407 PolarHBondContact O-N 2.88Å; E379-N407 PolarHBondContact OE1-ND2 2.97Å; E379-N407 WeakPolarHBondContact OE2-CB 3.45Å; Y380-N407 PolarHBondContact N-O 3.22Å; N407-R447 WeakPolarHBondContact OD1-CB 3.39Å; N407-R447 WeakPolarHBondContact OD1-CD 3.4Å; N407-R447 PolarHBondContact OD1-NE 2.94Å; N407-R447 VanDerWaalsContact OD1-NE 3.12Å
408T85.5Confident91Very high4 Ų426.1 Ų26.13%0.02514%0.139CC..  trans-141.3143.9177.2-179.40000108.4M130 P381 I383 I410M130-T408 WeakPolarHBondContact CE-O 3.4Å; P381-T408 PolarHBondContact O-OG1 3.25Å; I383-T408 HydrophobicContact CD1-CG2 4.48Å; I383-T408 HydrophobicContact CG1-CG2 4.33Å; T408-I410 HydrophobicContact CG2-CD1 3.73Å; T408-I410 HydrophobicContact CG2-CG1 4.26Å; T408-I410 PolarHBondContact O-N 2.82Å
409P79.8Confident90.3Very high9 Ų929 Ų296%0.05816%0.158CC..  trans-64.1121.4176.325.6-34000110.5Y380 E421Y380-P409 WeakPolarHBondContact O-CD 3.43Å; P409-E421 HydrophobicContact CB-CB 4.06Å; P409-E421 HydrophobicContact CB-CG 3.86Å; P409-E421 HydrophobicContact CG-CB 3.92Å; P409-E421 HydrophobicContact CG-CG 3.92Å
410I83.5Confident89.6Confident4 Ų423.1 Ų23.12%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-116.394.3174.7-55.3-58.7000108.5T93 S127 K128 M130 T408 T445T93-I410 WeakPolarHBondContact OG1-CG2 3.31Å; S127-I410 VanDerWaalsContact O-CD1 3.31Å; S127-I410 WeakPolarHBondContact O-CD1 3.42Å; K128-I410 WeakPolarHBondContact O-CD1 3.41Å; K128-I410 VanDerWaalsContact O-CG2 3.27Å; K128-I410 WeakPolarHBondContact O-CG2 3.45Å; M130-I410 HydrophobicContact CE-CG1 4.06Å; T408-I410 HydrophobicContact CG2-CD1 3.73Å; T408-I410 HydrophobicContact CG2-CG1 4.26Å; T408-I410 PolarHBondContact O-N 2.82Å; I410-T445 PolarHBondContact N-O 3.43Å; I410-T445 PolarHBondContact O-N 3.35Å
411D86.7Confident89Confident1 Ų125.4 Ų25.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-115.9139.8176.4-48.1-40.4000112.4T419 G420 E421 F422 S443 V444 R446D411-T419 CarbonylContact O-C 3.6Å; D411-T419 VanDerWaalsContact O-CA 3.31Å; D411-T419 WeakPolarHBondContact O-CA 3.21Å; D411-G420 WeakPolarHBondContact CA-O 3.34Å; D411-G420 WeakPolarHBondContact CB-O 3.43Å; D411-G420 PolarHBondContact N-O 3.07Å; D411-G420 PolarHBondContact O-N 3Å; D411-E421 WeakPolarHBondContact OD2-CA 3.32Å; D411-F422 HydrophobicContact CB-CB 4.34Å; D411-F422 HydrophobicContact CB-CD1 3.16Å; D411-F422 HydrophobicContact CB-CD2 4.48Å; D411-F422 HydrophobicContact CB-CE1 3.31Å; D411-F422 HydrophobicContact CB-CG 3.77Å; D411-F422 HydrophobicContact CB-CZ 4.07Å; D411-F422 PolarHBondContact OD2-N 3.4Å; D411-S443 CarbonylContact C-O 3.59Å; D411-S443 VanDerWaalsContact CA-O 3.25Å; D411-S443 WeakPolarHBondContact CA-O 3.32Å; D411-V444 HydrophobicContact CB-CG2 4.47Å; D411-V444 VanDerWaalsContact OD1-CA 3.28Å; D411-V444 WeakPolarHBondContact OD1-CA 3.41Å; D411-V444 VanDerWaalsContact OD1-CG1 3.28Å; D411-V444 WeakPolarHBondContact OD1-CG1 3.21Å; D411-R446 VanDerWaalsContact CG-NH2 3.26Å; D411-R446 IonicContact OD1-CZ 2.87Å; D411-R446 VanDerWaalsContact OD1-CZ 3.26Å; D411-R446 IonicContact OD1-NH1 3.77Å; D411-R446 PolarHBondContact OD1-NH1 2.91Å; D411-R446 IonicContact OD1-NH2 2.74Å; D411-R446 PolarHBondContact OD1-NH2 2.97Å; D411-R446 IonicContact OD2-CZ 2.7Å; D411-R446 IonicContact OD2-NH1 3.19Å; D411-R446 IonicContact OD2-NH2 2.67Å; D411-R446 PolarHBondContact OD2-NH2 3.11Å
412E85.4Confident88.3Confident25 Ų2525.8 Ų25.812%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-131.3129.5177.8-61.6-178173.500110.2R129 Y414 F418 T419 V442 S443R129-E412 IonicContact CZ-OE1 3.69Å; R129-E412 IonicContact NH1-OE1 3.17Å; R129-E412 PolarHBondContact NH1-OE1 2.88Å; R129-E412 IonicContact NH2-OE1 3.61Å; E412-Y414 HydrophobicContact CB-CE1 4.06Å; E412-F418 CarbonylContact C-O 3.21Å; E412-F418 WeakPolarHBondContact CA-O 3.46Å; E412-T419 HydrophobicContact CG-CG2 4.19Å; E412-V442 CarbonylContact O-C 3.54Å; E412-V442 WeakPolarHBondContact O-CA 3.48Å; E412-S443 PolarHBondContact N-O 3.39Å; E412-S443 PolarHBondContact O-N 2.89Å
413C89Confident87.5Confident2 Ų231.4 Ų31.41%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-99.6118172.6-178.70000109.9E415 C416 G417 F418 F422 C431 N436C413-E415 VanDerWaalsContact C-N 3.26Å; C413-E415 PolarHBondContact O-N 3.41Å; C413-C416 VanDerWaalsContact SG-SG 3.67Å; C413-G417 WeakPolarHBondContact O-CA 3.47Å; C413-G417 PolarHBondContact O-N 3.34Å; C413-F418 HydrophobicContact CB-CB 4.15Å; C413-F418 PolarHBondContact N-O 3.06Å; C413-F422 HydrophobicContact CB-CE1 4.31Å; C413-F422 HydrophobicContact CB-CZ 3.68Å; C413-C431 HydrophobicContact CB-CB 4.03Å; C413-C431 VanDerWaalsContact CB-SG 3.56Å; C413-N436 PolarHBondContact SG-ND2 2.77Å; C413-N436 VanDerWaalsContact SG-ND2 3.43Å
414Y88.5Confident86.5Confident63 Ų6336 Ų3625%0.24720%0.201CC..THydrogen-bonded Turntrans-78.2-9.5-178.9-53.4-32.3000113.5N90 E412 R441 S443N90-Y414 HydrophobicContact CB-CD1 4.15Å; N90-Y414 HydrophobicContact CB-CD2 4.48Å; N90-Y414 HydrophobicContact CB-CE1 3.74Å; N90-Y414 HydrophobicContact CB-CE2 4.11Å; N90-Y414 HydrophobicContact CB-CG 4.5Å; N90-Y414 WeakPolarHBondContact ND2-CE2 3.43Å; E412-Y414 HydrophobicContact CB-CE1 4.06Å; Y414-R441 VanDerWaalsContact CB-O 3.28Å; Y414-R441 WeakPolarHBondContact CB-O 3.42Å; Y414-R441 VanDerWaalsContact CD2-C 3.43Å; Y414-R441 PolarHBondContact N-O 2.91Å; Y414-S443 WeakPolarHBondContact OH-CB 3.09Å
415E89.1Confident85.1Confident90 Ų9038.7 Ų38.742%0.42122%0.218SC..THydrogen-bonded Turntrans-82.4-51174.4-67.2-160.9157.500112.8C413 N436 R441C413-E415 VanDerWaalsContact C-N 3.26Å; C413-E415 PolarHBondContact O-N 3.41Å; E415-N436 HydrophobicContact CG-CB 4.38Å; E415-R441 HydrophobicContact CG-CB 4.3Å; E415-R441 VanDerWaalsContact CG-CZ 3.45Å; E415-R441 WeakPolarHBondContact OE1-CD 3.44Å; E415-R441 IonicContact OE1-CZ 2.7Å; E415-R441 IonicContact OE1-NE 3.74Å; E415-R441 PolarHBondContact OE1-NE 3.35Å; E415-R441 IonicContact OE1-NH1 2.69Å; E415-R441 PolarHBondContact OE1-NH1 3.29Å; E415-R441 IonicContact OE1-NH2 3.77Å
416C91.2Very high83.5Confident38 Ų3845 Ų4526%0.25726%0.262SS..THydrogen-bonded Turntrans-110.4-0.7-173.172.70000114.2C413 F418 C431 K433 C434C413-C416 VanDerWaalsContact SG-SG 3.67Å; C416-F418 PolarHBondContact O-N 3.26Å; C416-F418 VanDerWaalsContact SG-CB 3.54Å; C416-C431 VanDerWaalsContact SG-SG 3.63Å; C416-K433 HydrophobicContact CB-CD 4.44Å; C416-K433 PolarHBondContact O-NZ 2.9Å; C416-C434 HydrophobicContact CB-CB 3.89Å; C416-C434 PolarHBondContact SG-SG 3.18Å
417G86.6Confident82Confident56 Ų5654.7 Ų54.758%0.57730%0.304SS*.  trans69.215.7-178.500000114.5C413 T419C413-G417 WeakPolarHBondContact O-CA 3.47Å; C413-G417 PolarHBondContact O-N 3.34Å; G417-T419 PolarHBondContact O-N 3.42Å
418F86.3Confident81.2Confident52 Ų5255.1 Ų55.123%0.22831%0.31CS..  trans-65.1133.6177175.1-99.9000110.7E412 C413 C416 F422 P432 K433E412-F418 CarbonylContact C-O 3.21Å; E412-F418 WeakPolarHBondContact CA-O 3.46Å; C413-F418 HydrophobicContact CB-CB 4.15Å; C413-F418 PolarHBondContact N-O 3.06Å; C416-F418 PolarHBondContact O-N 3.26Å; C416-F418 VanDerWaalsContact SG-CB 3.54Å; F418-F422 HydrophobicContact CD1-CD1 4.05Å; F418-F422 AromaticContact CD1-CE1 3.67Å; F418-F422 HydrophobicContact CD1-CE1 3.67Å; F418-F422 AromaticContact CE1-CD1 3.95Å; F418-F422 HydrophobicContact CE1-CD1 3.95Å; F418-F422 HydrophobicContact CE1-CE1 4.03Å; F418-P432 HydrophobicContact CD1-CG 4.3Å; F418-P432 HydrophobicContact CE1-CG 3.65Å; F418-P432 HydrophobicContact CE2-CG 4.28Å; F418-P432 HydrophobicContact CZ-CG 3.63Å; F418-K433 HydrophobicContact CB-CB 4.14Å; F418-K433 HydrophobicContact CB-CD 4.09Å; F418-K433 HydrophobicContact CD2-CB 4.11Å; F418-K433 HydrophobicContact CD2-CD 4.31Å; F418-K433 HydrophobicContact CG-CB 4.21Å
419T83.3Confident81Confident73 Ų7356.2 Ų56.245%0.44832%0.315SS..EExtended strand (participates in β ladder)trans-122.7119.8173.558.30000108.9D411 E412 G417D411-T419 CarbonylContact O-C 3.6Å; D411-T419 VanDerWaalsContact O-CA 3.31Å; D411-T419 WeakPolarHBondContact O-CA 3.21Å; E412-T419 HydrophobicContact CG-CG2 4.19Å; G417-T419 PolarHBondContact O-N 3.42Å
420G81.6Confident81.3Confident3 Ų357.1 Ų57.13%0.03132%0.32CS..EExtended strand (participates in β ladder)trans167.9-147-177.400000112.5N382 D411N382-G420 WeakPolarHBondContact ND2-CA 3.3Å; D411-G420 WeakPolarHBondContact CA-O 3.34Å; D411-G420 WeakPolarHBondContact CB-O 3.43Å; D411-G420 PolarHBondContact N-O 3.07Å; D411-G420 PolarHBondContact O-N 3Å
421E83.9Confident81.6Confident103 Ų10357 Ų5748%0.48132%0.319SS..PPolyproline II helixtrans-102.3131.7174.9-175.8168.7-161.200109.8P409 D411P409-E421 HydrophobicContact CB-CB 4.06Å; P409-E421 HydrophobicContact CB-CG 3.86Å; P409-E421 HydrophobicContact CG-CB 3.92Å; P409-E421 HydrophobicContact CG-CG 3.92Å; D411-E421 WeakPolarHBondContact OD2-CA 3.32Å
422F85.1Confident81.7Confident8 Ų859.7 Ų59.74%0.03534%0.337CS..PPolyproline II helixtrans-87.2153.2176.8-80.731.3000111.2D411 C413 F418 C424 F429 T430 C431 V442 V444D411-F422 HydrophobicContact CB-CB 4.34Å; D411-F422 HydrophobicContact CB-CD1 3.16Å; D411-F422 HydrophobicContact CB-CD2 4.48Å; D411-F422 HydrophobicContact CB-CE1 3.31Å; D411-F422 HydrophobicContact CB-CG 3.77Å; D411-F422 HydrophobicContact CB-CZ 4.07Å; D411-F422 PolarHBondContact OD2-N 3.4Å; C413-F422 HydrophobicContact CB-CE1 4.31Å; C413-F422 HydrophobicContact CB-CZ 3.68Å; F418-F422 HydrophobicContact CD1-CD1 4.05Å; F418-F422 AromaticContact CD1-CE1 3.67Å; F418-F422 HydrophobicContact CD1-CE1 3.67Å; F418-F422 AromaticContact CE1-CD1 3.95Å; F418-F422 HydrophobicContact CE1-CD1 3.95Å; F418-F422 HydrophobicContact CE1-CE1 4.03Å; F422-C424 PolarHBondContact O-N 3.23Å; F422-F429 HydrophobicContact CB-CB 4Å; F422-F429 HydrophobicContact CB-CD1 4.13Å; F422-F429 HydrophobicContact CD2-CB 3.91Å; F422-F429 HydrophobicContact CG-CB 4.46Å; F422-T430 WeakPolarHBondContact CB-O 3.41Å; F422-C431 HydrophobicContact CD2-CB 4.32Å; F422-C431 HydrophobicContact CE1-CB 4.38Å; F422-C431 HydrophobicContact CE2-CB 3.88Å; F422-C431 HydrophobicContact CZ-CB 3.95Å; F422-V442 HydrophobicContact CE2-CB 3.73Å; F422-V442 HydrophobicContact CE2-CG1 3.61Å; F422-V442 HydrophobicContact CZ-CB 4.26Å; F422-V442 HydrophobicContact CZ-CG1 4.21Å; F422-V444 HydrophobicContact CD2-CG2 4.25Å
423E81.4Confident82Confident120 Ų12065.2 Ų65.256%0.56136%0.36SS*.EExtended strand (participates in β ladder)trans-72.4127.2171.3-67.7-177.8179.900109.5F429 T430 P432E423-F429 WeakPolarHBondContact O-CA 3.22Å; E423-T430 PolarHBondContact N-O 3.09Å; E423-T430 PolarHBondContact O-N 3.01Å; E423-P432 HydrophobicContact CG-CB 4.36Å
424C76.5Confident82.2Confident97 Ų9767.8 Ų67.866%0.65538%0.378SS*.EExtended strand (participates in β ladder)trans-88.3122.6175.1-171.10000109.5F422 F429F422-C424 PolarHBondContact O-N 3.23Å; C424-F429 HydrophobicContact CB-CD1 4.44Å; C424-F429 HydrophobicContact CB-CE1 4.24Å
425T68.7Low82.3Confident58 Ų5866.6 Ų66.636%0.35638%0.384SS..EExtended strand (participates in β ladder)trans-118.9169.3174.872.40000109.8K427 G428T425-K427 PolarHBondContact O-N 3.2Å; T425-K427 PolarHBondContact OG1-N 2.62Å; T425-G428 PolarHBondContact N-O 3.34Å; T425-G428 PolarHBondContact O-N 2.81Å; T425-G428 PolarHBondContact OG1-O 3.43Å
426S61.8Low82.2Confident132 Ų13262.7 Ų62.792%0.92337%0.367SS*.THydrogen-bonded Turntrans-61.1-13172.9560000114.1
427K60Low81.8Confident204 Ų20467.7 Ų67.789%0.88739%0.386SS*.THydrogen-bonded Turntrans-101.94.3178.2-62.4-174.8179.6-178.80113.5T425T425-K427 PolarHBondContact O-N 3.2Å; T425-K427 PolarHBondContact OG1-N 2.62Å
428G70.5Confident81.6Confident16 Ų1668.2 Ų68.217%0.16538%0.376CS..EExtended strand (participates in β ladder)trans110.8-157.6-175.200000112.4T425T425-G428 PolarHBondContact N-O 3.34Å; T425-G428 PolarHBondContact O-N 2.81Å; T425-G428 PolarHBondContact OG1-O 3.43Å
429F82.1Confident81.1Confident27 Ų2769 Ų6912%0.11839%0.392CS..EExtended strand (participates in β ladder)trans-92.6135.7-172.6-63.8-90000112.6F422 E423 C424 V444 P455 D456F422-F429 HydrophobicContact CB-CB 4Å; F422-F429 HydrophobicContact CB-CD1 4.13Å; F422-F429 HydrophobicContact CD2-CB 3.91Å; F422-F429 HydrophobicContact CG-CB 4.46Å; E423-F429 WeakPolarHBondContact O-CA 3.22Å; C424-F429 HydrophobicContact CB-CD1 4.44Å; C424-F429 HydrophobicContact CB-CE1 4.24Å; F429-V444 HydrophobicContact CB-CG2 3.72Å; F429-V444 HydrophobicContact CD1-CG1 3.98Å; F429-V444 HydrophobicContact CD1-CG2 4.28Å; F429-V444 HydrophobicContact CD2-CB 4.24Å; F429-V444 HydrophobicContact CD2-CG1 3.82Å; F429-V444 HydrophobicContact CD2-CG2 3.96Å; F429-V444 HydrophobicContact CE1-CG1 3.9Å; F429-V444 HydrophobicContact CE2-CG1 3.76Å; F429-V444 HydrophobicContact CG-CB 4.37Å; F429-V444 HydrophobicContact CG-CG1 3.94Å; F429-V444 HydrophobicContact CG-CG2 3.71Å; F429-V444 HydrophobicContact CZ-CG1 3.8Å; F429-P455 HydrophobicContact CE2-CB 3.99Å; F429-P455 HydrophobicContact CE2-CG 3.99Å; F429-P455 HydrophobicContact CZ-CB 4.2Å; F429-P455 HydrophobicContact CZ-CG 3.94Å; F429-D456 WeakPolarHBondContact CD2-OD2 3.48Å
430T86.6Confident80.9Confident28 Ų2869.8 Ų69.817%0.17240%0.4CS..EExtended strand (participates in β ladder)trans-119.3130.3178.1-58.70000110.4F422 E423 P432F422-T430 WeakPolarHBondContact CB-O 3.41Å; E423-T430 PolarHBondContact N-O 3.09Å; E423-T430 PolarHBondContact O-N 3.01Å; T430-P432 WeakPolarHBondContact O-CD 3.46Å
431C89.6Confident81Confident0 Ų075 Ų750%042%0.419CS..  trans-66.7119.8174.7177.70000110C413 C416 F422 K433 C434 G435 N436C413-C431 HydrophobicContact CB-CB 4.03Å; C413-C431 VanDerWaalsContact CB-SG 3.56Å; C416-C431 VanDerWaalsContact SG-SG 3.63Å; F422-C431 HydrophobicContact CD2-CB 4.32Å; F422-C431 HydrophobicContact CE1-CB 4.38Å; F422-C431 HydrophobicContact CE2-CB 3.88Å; F422-C431 HydrophobicContact CZ-CB 3.95Å; C431-K433 PolarHBondContact O-N 3.22Å; C431-K433 VanDerWaalsContact O-N 3.15Å; C431-C434 PolarHBondContact O-N 3.45Å; C431-G435 WeakPolarHBondContact O-CA 3.14Å; C431-G435 PolarHBondContact O-N 3.36Å; C431-N436 HydrophobicContact CB-CB 4.17Å; C431-N436 WeakPolarHBondContact CB-O 3.39Å; C431-N436 PolarHBondContact N-O 3.23Å
432P88.9Confident81Confident59 Ų5970.7 Ų70.738%0.38340%0.399SS..THydrogen-bonded Turntrans-68.1-19.3-175.727.2-36000113F418 E423 T430F418-P432 HydrophobicContact CD1-CG 4.3Å; F418-P432 HydrophobicContact CE1-CG 3.65Å; F418-P432 HydrophobicContact CE2-CG 4.28Å; F418-P432 HydrophobicContact CZ-CG 3.63Å; E423-P432 HydrophobicContact CG-CB 4.36Å; T430-P432 WeakPolarHBondContact O-CD 3.46Å
433K91.2Very high80.9Confident140 Ų14071 Ų7161%0.60940%0.402SS*.THydrogen-bonded Turntrans-84.1-35.9-178.3-173.9-179.9176.3-168.80113.6C416 F418 C431C416-K433 HydrophobicContact CB-CD 4.44Å; C416-K433 PolarHBondContact O-NZ 2.9Å; F418-K433 HydrophobicContact CB-CB 4.14Å; F418-K433 HydrophobicContact CB-CD 4.09Å; F418-K433 HydrophobicContact CD2-CB 4.11Å; F418-K433 HydrophobicContact CD2-CD 4.31Å; F418-K433 HydrophobicContact CG-CB 4.21Å; C431-K433 PolarHBondContact O-N 3.22Å; C431-K433 VanDerWaalsContact O-N 3.15Å
434C93.3Very high80.9Confident57 Ų5765.4 Ų65.439%0.38538%0.377SS..THydrogen-bonded Turntrans-131.6-6-171.666.50000114.8C416 C431 N436C416-C434 HydrophobicContact CB-CB 3.89Å; C416-C434 PolarHBondContact SG-SG 3.18Å; C431-C434 PolarHBondContact O-N 3.45Å; C434-N436 PolarHBondContact O-N 3.31Å; C434-N436 WeakPolarHBondContact SG-CB 3.3Å
435G89.8Confident81.1Confident37 Ų3761.2 Ų61.238%0.38135%0.348SS..  trans74.66.5-176.900000114.7C431 H437C431-G435 WeakPolarHBondContact O-CA 3.14Å; C431-G435 PolarHBondContact O-N 3.36Å; G435-H437 PolarHBondContact O-N 3.32Å; G435-H437 PolarHBondContact O-ND1 2.78Å
436N87.4Confident81.4Confident9 Ų960.4 Ų60.45%0.04834%0.339CS..  trans-60.4127.1175-178.224.5000110.3C413 E415 C431 C434 D438 R441 V442C413-N436 PolarHBondContact SG-ND2 2.77Å; C413-N436 VanDerWaalsContact SG-ND2 3.43Å; E415-N436 HydrophobicContact CG-CB 4.38Å; C431-N436 HydrophobicContact CB-CB 4.17Å; C431-N436 WeakPolarHBondContact CB-O 3.39Å; C431-N436 PolarHBondContact N-O 3.23Å; C434-N436 PolarHBondContact O-N 3.31Å; C434-N436 WeakPolarHBondContact SG-CB 3.3Å; N436-D438 WeakPolarHBondContact OD1-CB 3.34Å; N436-D438 PolarHBondContact OD1-N 3.38Å; N436-R441 PolarHBondContact ND2-O 3.43Å; N436-V442 WeakPolarHBondContact ND2-CG1 3.37Å
437H83.5Confident82Confident142 Ų14254.7 Ų54.766%0.65730%0.297SS*.  trans-132.111-179.856.7-83.9000111.2G435 A439G435-H437 PolarHBondContact O-N 3.32Å; G435-H437 PolarHBondContact O-ND1 2.78Å; H437-A439 PolarHBondContact O-N 3.19Å
438D81.9Confident82.3Confident68 Ų6848.9 Ų48.936%0.36428%0.278SS..  trans-75.6111.1175179.7-11.7000109.4N436 S440 R441 V442N436-D438 WeakPolarHBondContact OD1-CB 3.34Å; N436-D438 PolarHBondContact OD1-N 3.38Å; D438-S440 VanDerWaalsContact CG-OG 3.23Å; D438-S440 PolarHBondContact O-N 3.3Å; D438-S440 WeakPolarHBondContact OD1-CB 3.37Å; D438-S440 PolarHBondContact OD1-N 2.78Å; D438-S440 PolarHBondContact OD1-OG 2.91Å; D438-S440 PolarHBondContact OD2-OG 2.95Å; D438-R441 HydrophobicContact CB-CB 4.2Å; D438-R441 HydrophobicContact CB-CG 4.3Å; D438-R441 CarbonylContact O-C 3.53Å; D438-R441 PolarHBondContact O-N 2.63Å; D438-R441 WeakPolarHBondContact OD2-CG 3.28Å; D438-V442 WeakPolarHBondContact O-CG1 3.12Å; D438-V442 WeakPolarHBondContact O-CG2 3.18Å; D438-V442 PolarHBondContact O-N 3.29Å
439A76.5Confident82.1Confident68 Ų6849.7 Ų49.756%0.56228%0.281SS*.THydrogen-bonded Turntrans-55.2-25179.400000113.6H437H437-A439 PolarHBondContact O-N 3.19Å
440S78.8Confident81.1Confident90 Ų9048.4 Ų48.463%0.62928%0.275SS*.THydrogen-bonded Turntrans-80.6-18176.776.70000113.6D438D438-S440 VanDerWaalsContact CG-OG 3.23Å; D438-S440 PolarHBondContact O-N 3.3Å; D438-S440 WeakPolarHBondContact OD1-CB 3.37Å; D438-S440 PolarHBondContact OD1-N 2.78Å; D438-S440 PolarHBondContact OD1-OG 2.91Å; D438-S440 PolarHBondContact OD2-OG 2.95Å
441R84.4Confident80.2Confident111 Ų11149.5 Ų49.542%0.41928%0.277SS..SBendtrans-112.413.4-177.4-57.5-168.976.5178.45.1113Y414 E415 N436 D438Y414-R441 VanDerWaalsContact CB-O 3.28Å; Y414-R441 WeakPolarHBondContact CB-O 3.42Å; Y414-R441 VanDerWaalsContact CD2-C 3.43Å; Y414-R441 PolarHBondContact N-O 2.91Å; E415-R441 HydrophobicContact CG-CB 4.3Å; E415-R441 VanDerWaalsContact CG-CZ 3.45Å; E415-R441 WeakPolarHBondContact OE1-CD 3.44Å; E415-R441 IonicContact OE1-CZ 2.7Å; E415-R441 IonicContact OE1-NE 3.74Å; E415-R441 PolarHBondContact OE1-NE 3.35Å; E415-R441 IonicContact OE1-NH1 2.69Å; E415-R441 PolarHBondContact OE1-NH1 3.29Å; E415-R441 IonicContact OE1-NH2 3.77Å; N436-R441 PolarHBondContact ND2-O 3.43Å; D438-R441 HydrophobicContact CB-CB 4.2Å; D438-R441 HydrophobicContact CB-CG 4.3Å; D438-R441 CarbonylContact O-C 3.53Å; D438-R441 PolarHBondContact O-N 2.63Å; D438-R441 WeakPolarHBondContact OD2-CG 3.28Å
442V82.8Confident79.4Confident13 Ų1349.9 Ų49.98%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-133.9152.2176.5-55.30000108.9E412 F422 N436 D438 V444E412-V442 CarbonylContact O-C 3.54Å; E412-V442 WeakPolarHBondContact O-CA 3.48Å; F422-V442 HydrophobicContact CE2-CB 3.73Å; F422-V442 HydrophobicContact CE2-CG1 3.61Å; F422-V442 HydrophobicContact CZ-CB 4.26Å; F422-V442 HydrophobicContact CZ-CG1 4.21Å; N436-V442 WeakPolarHBondContact ND2-CG1 3.37Å; D438-V442 WeakPolarHBondContact O-CG1 3.12Å; D438-V442 WeakPolarHBondContact O-CG2 3.18Å; D438-V442 PolarHBondContact O-N 3.29Å; V442-V444 HydrophobicContact CG2-CG2 4.48Å
443S83.5Confident78.4Confident14 Ų1448.5 Ų48.510%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-126.5107.2169.4153.80000108D411 E412 Y414D411-S443 CarbonylContact C-O 3.59Å; D411-S443 VanDerWaalsContact CA-O 3.25Å; D411-S443 WeakPolarHBondContact CA-O 3.32Å; E412-S443 PolarHBondContact N-O 3.39Å; E412-S443 PolarHBondContact O-N 2.89Å; Y414-S443 WeakPolarHBondContact OH-CB 3.09Å
444V81Confident77.1Confident4 Ų444 Ų442%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-103.6116.2174.4175.10000107.4D411 F422 F429 V442 S454 P455D411-V444 HydrophobicContact CB-CG2 4.47Å; D411-V444 VanDerWaalsContact OD1-CA 3.28Å; D411-V444 WeakPolarHBondContact OD1-CA 3.41Å; D411-V444 VanDerWaalsContact OD1-CG1 3.28Å; D411-V444 WeakPolarHBondContact OD1-CG1 3.21Å; F422-V444 HydrophobicContact CD2-CG2 4.25Å; F429-V444 HydrophobicContact CB-CG2 3.72Å; F429-V444 HydrophobicContact CD1-CG1 3.98Å; F429-V444 HydrophobicContact CD1-CG2 4.28Å; F429-V444 HydrophobicContact CD2-CB 4.24Å; F429-V444 HydrophobicContact CD2-CG1 3.82Å; F429-V444 HydrophobicContact CD2-CG2 3.96Å; F429-V444 HydrophobicContact CE1-CG1 3.9Å; F429-V444 HydrophobicContact CE2-CG1 3.76Å; F429-V444 HydrophobicContact CG-CB 4.37Å; F429-V444 HydrophobicContact CG-CG1 3.94Å; F429-V444 HydrophobicContact CG-CG2 3.71Å; F429-V444 HydrophobicContact CZ-CG1 3.8Å; V442-V444 HydrophobicContact CG2-CG2 4.48Å; V444-S454 VanDerWaalsContact O-CA 3.25Å; V444-S454 WeakPolarHBondContact O-CA 3.09Å; V444-S454 WeakPolarHBondContact O-CB 3.02Å; V444-P455 HydrophobicContact CG1-CG 4.1Å
445T80.4Confident75.3Confident9 Ų942.6 Ų42.66%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-116.9125.5178.7-57.20000110.3T93 M130 I410 L452T93-T445 HydrophobicContact CG2-CG2 4.21Å; M130-T445 HydrophobicContact CE-CG2 4.26Å; I410-T445 PolarHBondContact N-O 3.43Å; I410-T445 PolarHBondContact O-N 3.35Å; T445-L452 HydrophobicContact CG2-CB 3.98Å; T445-L452 HydrophobicContact CG2-CD1 4.3Å
446R75.5Confident73.2Confident41 Ų4144.1 Ų44.116%0.15525%0.251CS..EExtended strand (participates in β ladder)trans-130.8159174.6-63.3-66.4177.6-76.7-4.9110.2D411 V448 L452 G453 P455D411-R446 VanDerWaalsContact CG-NH2 3.26Å; D411-R446 IonicContact OD1-CZ 2.87Å; D411-R446 VanDerWaalsContact OD1-CZ 3.26Å; D411-R446 IonicContact OD1-NH1 3.77Å; D411-R446 PolarHBondContact OD1-NH1 2.91Å; D411-R446 IonicContact OD1-NH2 2.74Å; D411-R446 PolarHBondContact OD1-NH2 2.97Å; D411-R446 IonicContact OD2-CZ 2.7Å; D411-R446 IonicContact OD2-NH1 3.19Å; D411-R446 IonicContact OD2-NH2 2.67Å; D411-R446 PolarHBondContact OD2-NH2 3.11Å; R446-V448 HydrophobicContact CB-CG2 4.23Å; R446-L452 WeakPolarHBondContact O-CA 3.49Å; R446-G453 PolarHBondContact N-O 2.92Å; R446-G453 PolarHBondContact O-N 2.8Å; R446-G453 VanDerWaalsContact O-O 3.11Å; R446-P455 HydrophobicContact CB-CG 3.95Å; R446-P455 HydrophobicContact CG-CG 3.62Å
447R75.2Confident71.3Confident12 Ų1247.1 Ų47.15%0.04528%0.277CS..EExtended strand (participates in β ladder)trans-107.399162.6-168.5-177.5-49.1-163.27.8108M130 D133 N407 L452M130-R447 HydrophobicContact SD-CB 3.68Å; D133-R447 VanDerWaalsContact CG-NH1 3.29Å; D133-R447 IonicContact OD1-CZ 3.03Å; D133-R447 VanDerWaalsContact OD1-CZ 3.26Å; D133-R447 IonicContact OD1-NH1 3.14Å; D133-R447 PolarHBondContact OD1-NH1 2.93Å; D133-R447 IonicContact OD1-NH2 2.77Å; D133-R447 PolarHBondContact OD1-NH2 3.14Å; D133-R447 IonicContact OD2-CZ 2.82Å; D133-R447 IonicContact OD2-NH1 3.87Å; D133-R447 PolarHBondContact OD2-NH1 3.4Å; N407-R447 WeakPolarHBondContact OD1-CB 3.39Å; N407-R447 WeakPolarHBondContact OD1-CD 3.4Å; N407-R447 PolarHBondContact OD1-NE 2.94Å; N407-R447 VanDerWaalsContact OD1-NE 3.12Å; R447-L452 HydrophobicContact CB-CD2 3.85Å; R447-L452 HydrophobicContact CG-CD2 4.36Å
448V65.3Low69.3Low82 Ų8247.4 Ų47.450%0.49727%0.272SS..SBendtrans-84.7-34.1-178.7-175.60000111R446R446-V448 HydrophobicContact CB-CG2 4.23Å
449C66.2Low67.7Low32 Ų3249.3 Ų49.322%0.21629%0.288CS..SBendtrans-131.8-99176.6-63.60000110.9E316 Y377E316-C449 HydrophobicContact CG-CB 4.46Å; E316-C449 WeakPolarHBondContact OE2-CB 3.24Å; Y377-C449 WeakPolarHBondContact CE2-O 3.49Å
450G60.5Low66.5Low0 Ų050 Ų500%028%0.279CS..SBendtrans-96.5-35.7-177.200000113.9E316E316-G450 WeakPolarHBondContact OE2-CA 3.16Å; E316-G450 PolarHBondContact OE2-N 3.06Å
451Y67.9Low65.5Low52 Ų5248.3 Ų48.320%0.20426%0.262CS..SBendtrans-117161.4-172.2-59.5-77.4000113.1F96 C153 E316F96-Y451 AromaticContact CE1-CD1 3.81Å; F96-Y451 HydrophobicContact CE1-CD1 3.81Å; F96-Y451 AromaticContact CE1-CE1 3.84Å; F96-Y451 HydrophobicContact CE1-CE1 3.84Å; F96-Y451 AromaticContact CZ-CD1 3.7Å; F96-Y451 HydrophobicContact CZ-CD1 3.7Å; F96-Y451 AromaticContact CZ-CE1 3.87Å; F96-Y451 HydrophobicContact CZ-CE1 3.87Å; F96-Y451 HydrophobicContact CZ-CG 4.44Å; C153-Y451 HydrophobicContact CB-CE1 4.4Å; C153-Y451 WeakPolarHBondContact SG-CE1 3.44Å; C153-Y451 PolarHBondContact SG-OH 2.99Å; E316-Y451 HydrophobicContact CG-CD2 4.49Å; E316-Y451 PolarHBondContact OE2-N 3.24Å
452L74.5Confident64.7Low7 Ų745.6 Ų45.64%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-73.5138.5169.3-54.8-172.9000109.5T93 V95 M130 Y131 T445 R446 R447T93-L452 HydrophobicContact CG2-CD1 4.21Å; V95-L452 HydrophobicContact CB-CB 4.5Å; V95-L452 HydrophobicContact CG1-CB 4.25Å; V95-L452 WeakPolarHBondContact CG1-O 3.45Å; V95-L452 HydrophobicContact CG2-CB 4.24Å; V95-L452 WeakPolarHBondContact CG2-O 3.31Å; M130-L452 HydrophobicContact CB-CD1 4.3Å; M130-L452 HydrophobicContact CB-CD2 4.11Å; M130-L452 HydrophobicContact CE-CD2 3.81Å; M130-L452 HydrophobicContact CG-CD2 4.08Å; M130-L452 HydrophobicContact SD-CD2 3.26Å; M130-L452 WeakPolarHBondContact SD-CD2 3.37Å; Y131-L452 HydrophobicContact CD2-CD1 3.72Å; Y131-L452 HydrophobicContact CD2-CG 4.42Å; Y131-L452 HydrophobicContact CE2-CD1 3.49Å; Y131-L452 VanDerWaalsContact CE2-CD1 3.49Å; Y131-L452 HydrophobicContact CE2-CG 3.73Å; T445-L452 HydrophobicContact CG2-CB 3.98Å; T445-L452 HydrophobicContact CG2-CD1 4.3Å; R446-L452 WeakPolarHBondContact O-CA 3.49Å; R447-L452 HydrophobicContact CB-CD2 3.85Å; R447-L452 HydrophobicContact CG-CD2 4.36Å
453G66.7Low63.9Low30 Ų3048 Ų4831%0.30929%0.285SS..EExtended strand (participates in β ladder)trans-157.3163.7173.300000111.1R446R446-G453 PolarHBondContact N-O 2.92Å; R446-G453 PolarHBondContact O-N 2.8Å; R446-G453 VanDerWaalsContact O-O 3.11Å
454S64Low63.1Low47 Ų4751 Ų5133%0.32930%0.299SS..  trans-78.9125163171.50000108.3V444 D456 A457V444-S454 VanDerWaalsContact O-CA 3.25Å; V444-S454 WeakPolarHBondContact O-CA 3.09Å; V444-S454 WeakPolarHBondContact O-CB 3.02Å; S454-D456 PolarHBondContact O-N 3.42Å; S454-D456 PolarHBondContact OG-N 2.85Å; S454-A457 PolarHBondContact O-N 2.97Å
455P55.5Low62.8Low26 Ų2651.1 Ų51.117%0.16930%0.299CS..G310 helixtrans-56.3-30.2176-20.530.5000112.5F429 V444 R446 A457 R458F429-P455 HydrophobicContact CE2-CB 3.99Å; F429-P455 HydrophobicContact CE2-CG 3.99Å; F429-P455 HydrophobicContact CZ-CB 4.2Å; F429-P455 HydrophobicContact CZ-CG 3.94Å; V444-P455 HydrophobicContact CG1-CG 4.1Å; R446-P455 HydrophobicContact CB-CG 3.95Å; R446-P455 HydrophobicContact CG-CG 3.62Å; P455-A457 VanDerWaalsContact C-N 3.33Å; P455-R458 WeakPolarHBondContact O-CG 3.5Å
456D46.2Very low62.8Low70 Ų7054 Ų5437%0.37431%0.314SS..G310 helixtrans-79.4-16.4178.8-62.5-19.1000112.4F429 S454 R458F429-D456 WeakPolarHBondContact CD2-OD2 3.48Å; S454-D456 PolarHBondContact O-N 3.42Å; S454-D456 PolarHBondContact OG-N 2.85Å; D456-R458 VanDerWaalsContact C-N 3.28Å; D456-R458 PolarHBondContact O-N 3.5Å
457A46.8Very low63.1Low71 Ų7158.1 Ų58.159%0.58734%0.335SS*.G310 helixtrans-89.924.2179.400000113.9S454 P455S454-A457 PolarHBondContact O-N 2.97Å; P455-A457 VanDerWaalsContact C-N 3.33Å
458R41.9Very low63.5Low148 Ų14859.4 Ų59.456%0.55834%0.342SS*.  trans-65.8163.7175.6-86-167.6-160.1-155.49.7111.8P455 D456 N461P455-R458 WeakPolarHBondContact O-CG 3.5Å; D456-R458 VanDerWaalsContact C-N 3.28Å; D456-R458 PolarHBondContact O-N 3.5Å; R458-N461 PolarHBondContact O-ND2 3.45Å
459P48.6Very low64.7Low109 Ų10955.7 Ų55.771%0.70832%0.32SS*.SBendtrans-54.5165.6-145.631.1-35.5000114N461P459-N461 WeakPolarHBondContact O-CA 3.46Å; P459-N461 WeakPolarHBondContact O-CB 3.33Å; P459-N461 PolarHBondContact O-N 3.4Å; P459-N461 PolarHBondContact O-ND2 3.48Å
460F51.8Low65.8Low83 Ų8359.5 Ų59.536%0.36434%0.338SS..SBendtrans-35.298.7-178.3-164.4-91000111.6M464 E465 I468 L501F460-M464 HydrophobicContact CB-CE 4.38Å; F460-M464 HydrophobicContact CD2-CB 4.37Å; F460-M464 HydrophobicContact CD2-CE 3.67Å; F460-M464 HydrophobicContact CE2-CB 4.5Å; F460-M464 HydrophobicContact CE2-CE 4.41Å; F460-M464 HydrophobicContact CG-CE 4.44Å; F460-E465 HydrophobicContact CD1-CG 4.23Å; F460-E465 HydrophobicContact CE1-CG 3.3Å; F460-E465 HydrophobicContact CZ-CG 3.64Å; F460-I468 HydrophobicContact CE2-CD1 3.54Å; F460-I468 HydrophobicContact CZ-CD1 3.88Å; F460-L501 HydrophobicContact CE1-CB 4.41Å; F460-L501 HydrophobicContact CE1-CD2 4.43Å; F460-L501 HydrophobicContact CE2-CD2 4.39Å; F460-L501 HydrophobicContact CZ-CB 4.39Å; F460-L501 HydrophobicContact CZ-CD1 3.97Å; F460-L501 HydrophobicContact CZ-CD2 3.71Å; F460-L501 HydrophobicContact CZ-CG 4.22Å
461N57.7Low67.1Low53 Ų5362.2 Ų62.228%0.28335%0.352SS..  trans-120.8175.3-170.759.838000108.4R458 P459 A463 M464 E465R458-N461 PolarHBondContact O-ND2 3.45Å; P459-N461 WeakPolarHBondContact O-CA 3.46Å; P459-N461 WeakPolarHBondContact O-CB 3.33Å; P459-N461 PolarHBondContact O-N 3.4Å; P459-N461 PolarHBondContact O-ND2 3.48Å; N461-A463 PolarHBondContact O-N 3.21Å; N461-A463 VanDerWaalsContact O-N 3.17Å; N461-A463 WeakPolarHBondContact OD1-CA 3.34Å; N461-A463 WeakPolarHBondContact OD1-CB 3.17Å; N461-A463 PolarHBondContact OD1-N 2.89Å; N461-M464 PolarHBondContact O-N 2.89Å; N461-M464 VanDerWaalsContact O-N 3.09Å; N461-M464 PolarHBondContact OD1-N 2.55Å; N461-E465 PolarHBondContact O-N 2.75Å
462A66.4Low68.1Low55 Ų5560 Ų6046%0.45534%0.344SS..Hα-helixtrans-55.6-34.3179.400000112.7E465 D466A462-E465 WeakPolarHBondContact O-CB 3.23Å; A462-E465 PolarHBondContact O-N 2.59Å; A462-D466 PolarHBondContact O-N 2.77Å
463A65.9Low68.8Low62 Ų6262.8 Ų62.851%0.51236%0.359SS..Hα-helixtrans-69.5-37.8178.300000112.7N461 D466 Q467N461-A463 PolarHBondContact O-N 3.21Å; N461-A463 VanDerWaalsContact O-N 3.17Å; N461-A463 WeakPolarHBondContact OD1-CA 3.34Å; N461-A463 WeakPolarHBondContact OD1-CB 3.17Å; N461-A463 PolarHBondContact OD1-N 2.89Å; A463-D466 PolarHBondContact O-N 2.63Å; A463-Q467 WeakPolarHBondContact O-CB 3.4Å; A463-Q467 PolarHBondContact O-N 3.45Å
464M67.2Low69.8Low79 Ų7962.6 Ų62.639%0.38935%0.351SS..Hα-helixtrans-66.2-40.2171.2-95.1169.371.900112F460 N461 Q467 I468F460-M464 HydrophobicContact CB-CE 4.38Å; F460-M464 HydrophobicContact CD2-CB 4.37Å; F460-M464 HydrophobicContact CD2-CE 3.67Å; F460-M464 HydrophobicContact CE2-CB 4.5Å; F460-M464 HydrophobicContact CE2-CE 4.41Å; F460-M464 HydrophobicContact CG-CE 4.44Å; N461-M464 PolarHBondContact O-N 2.89Å; N461-M464 VanDerWaalsContact O-N 3.09Å; N461-M464 PolarHBondContact OD1-N 2.55Å; M464-Q467 PolarHBondContact O-N 3.22Å; M464-I468 WeakPolarHBondContact O-CG1 3.3Å; M464-I468 PolarHBondContact O-N 3.5Å
465E74.6Confident70.8Confident5 Ų566.5 Ų66.52%0.02337%0.373CS..Hα-helixtrans-57.6-49.5170.8-71.6176-171.900110.6F460 N461 A462 Q467 I468 I469 K500 L501 R504F460-E465 HydrophobicContact CD1-CG 4.23Å; F460-E465 HydrophobicContact CE1-CG 3.3Å; F460-E465 HydrophobicContact CZ-CG 3.64Å; N461-E465 PolarHBondContact O-N 2.75Å; A462-E465 WeakPolarHBondContact O-CB 3.23Å; A462-E465 PolarHBondContact O-N 2.59Å; E465-Q467 VanDerWaalsContact C-N 3.26Å; E465-Q467 PolarHBondContact O-N 3.33Å; E465-I468 WeakPolarHBondContact O-CB 3.47Å; E465-I468 PolarHBondContact O-N 3.19Å; E465-I468 VanDerWaalsContact O-N 3.11Å; E465-I469 WeakPolarHBondContact O-CG1 3.13Å; E465-I469 PolarHBondContact O-N 3.44Å; E465-K500 VanDerWaalsContact CD-NZ 3.34Å; E465-K500 WeakPolarHBondContact OE1-CE 3.48Å; E465-K500 IonicContact OE1-NZ 2.69Å; E465-K500 PolarHBondContact OE1-NZ 2.88Å; E465-K500 IonicContact OE2-NZ 3.8Å; E465-K500 PolarHBondContact OE2-NZ 3.46Å; E465-K500 VanDerWaalsContact OE2-NZ 3.16Å; E465-L501 HydrophobicContact CG-CD1 4.24Å; E465-R504 WeakPolarHBondContact OE2-CD 3.42Å; E465-R504 IonicContact OE2-CZ 3.5Å; E465-R504 IonicContact OE2-NE 3.34Å; E465-R504 IonicContact OE2-NH1 3.19Å; E465-R504 PolarHBondContact OE2-NH1 3.4Å
466D80.8Confident72.2Confident70 Ų7075.2 Ų75.237%0.37440%0.402SS..Hα-helixtrans-59-39.7179.6-66.1-18.2000111.6A462 A463 I469 N470 R504A462-D466 PolarHBondContact O-N 2.77Å; A463-D466 PolarHBondContact O-N 2.63Å; D466-I469 PolarHBondContact O-N 2.93Å; D466-N470 WeakPolarHBondContact O-CB 3.47Å; D466-N470 VanDerWaalsContact O-CG 3.24Å; D466-N470 PolarHBondContact O-N 3.33Å; D466-N470 PolarHBondContact O-ND2 3.13Å; D466-R504 IonicContact OD1-CZ 2.82Å; D466-R504 IonicContact OD1-NH1 3.89Å; D466-R504 PolarHBondContact OD1-NH1 2.87Å; D466-R504 IonicContact OD1-NH2 3.27Å; D466-R504 PolarHBondContact OD1-NH2 3.47Å
467Q81Confident73.6Confident127 Ų12776.6 Ų76.659%0.59341%0.408SS*.Hα-helixtrans-66.1-41176.8-173.51540.600112.2A463 M464 E465 I469 N470 D471A463-Q467 WeakPolarHBondContact O-CB 3.4Å; A463-Q467 PolarHBondContact O-N 3.45Å; M464-Q467 PolarHBondContact O-N 3.22Å; E465-Q467 VanDerWaalsContact C-N 3.26Å; E465-Q467 PolarHBondContact O-N 3.33Å; Q467-I469 VanDerWaalsContact C-N 3.35Å; Q467-N470 PolarHBondContact O-N 3.18Å; Q467-D471 WeakPolarHBondContact O-CB 3.35Å; Q467-D471 PolarHBondContact O-N 3.49Å
468I83.8Confident75Confident39 Ų3982.9 Ų82.920%0.242%0.423CS..Hα-helixtrans-61.1-45.1173.9-70.7167000110.7F460 M464 E465 D471 L472 I482 L501 I505F460-I468 HydrophobicContact CE2-CD1 3.54Å; F460-I468 HydrophobicContact CZ-CD1 3.88Å; M464-I468 WeakPolarHBondContact O-CG1 3.3Å; M464-I468 PolarHBondContact O-N 3.5Å; E465-I468 WeakPolarHBondContact O-CB 3.47Å; E465-I468 PolarHBondContact O-N 3.19Å; E465-I468 VanDerWaalsContact O-N 3.11Å; I468-D471 PolarHBondContact O-N 3.42Å; I468-L472 HydrophobicContact CG2-CD1 3.85Å; I468-L472 HydrophobicContact CG2-CG 4.38Å; I468-L472 WeakPolarHBondContact O-CB 3.5Å; I468-L472 VanDerWaalsContact O-CG 3.29Å; I468-L472 WeakPolarHBondContact O-CG 3.43Å; I468-L472 PolarHBondContact O-N 2.82Å; I468-I482 HydrophobicContact CG2-CD1 3.68Å; I468-L501 HydrophobicContact CD1-CD1 4.46Å; I468-L501 HydrophobicContact CG2-CD1 4.36Å; I468-I505 HydrophobicContact CG2-CD1 4.34Å
469I91.1Very high77Confident5 Ų579.4 Ų79.43%0.02641%0.409CS..Hα-helixtrans-60.7-46.4177.2-64.1-57.1000110.7E465 D466 Q467 D471 L472 N473 R504 I505 E508E465-I469 WeakPolarHBondContact O-CG1 3.13Å; E465-I469 PolarHBondContact O-N 3.44Å; D466-I469 PolarHBondContact O-N 2.93Å; Q467-I469 VanDerWaalsContact C-N 3.35Å; I469-D471 PolarHBondContact O-N 3.06Å; I469-L472 PolarHBondContact O-N 3.41Å; I469-N473 WeakPolarHBondContact O-CB 3.12Å; I469-N473 PolarHBondContact O-N 3.28Å; I469-N473 PolarHBondContact O-ND2 2.88Å; I469-R504 HydrophobicContact CD1-CB 4.16Å; I469-I505 HydrophobicContact CD1-CB 4.31Å; I469-I505 HydrophobicContact CD1-CG1 3.63Å; I469-E508 HydrophobicContact CD1-CB 4.34Å; I469-E508 HydrophobicContact CG2-CB 3.76Å
470N89.1Confident79Confident111 Ų11181 Ų8159%0.59441%0.408SS*.Hα-helixtrans-62.5-42.5177.6-75.3-31.3000112D466 Q467 N473 D474D466-N470 WeakPolarHBondContact O-CB 3.47Å; D466-N470 VanDerWaalsContact O-CG 3.24Å; D466-N470 PolarHBondContact O-N 3.33Å; D466-N470 PolarHBondContact O-ND2 3.13Å; Q467-N470 PolarHBondContact O-N 3.18Å; N470-N473 CarbonylContact O-C 3.57Å; N470-N473 PolarHBondContact O-N 2.89Å; N470-D474 PolarHBondContact O-N 3.45Å
471D86.7Confident80.8Confident58 Ų5878 Ų7831%0.3140%0.4SS..Hα-helixtrans-63.8-45.1176.1-90.9-36.6000111.5Q467 I468 I469 N473 D474 R479Q467-D471 WeakPolarHBondContact O-CB 3.35Å; Q467-D471 PolarHBondContact O-N 3.49Å; I468-D471 PolarHBondContact O-N 3.42Å; I469-D471 PolarHBondContact O-N 3.06Å; D471-N473 PolarHBondContact O-N 2.84Å; D471-D474 PolarHBondContact O-N 3.11Å; D471-R479 WeakPolarHBondContact O-CD 3.2Å; D471-R479 PolarHBondContact O-NH1 2.86Å; D471-R479 IonicContact OD1-CZ 2.7Å; D471-R479 IonicContact OD1-NH1 3.34Å; D471-R479 PolarHBondContact OD1-NH1 2.76Å; D471-R479 IonicContact OD1-NH2 3.44Å; D471-R479 PolarHBondContact OD1-NH2 3.43Å; D471-R479 IonicContact OD2-NH2 3.16Å
472L89Confident82.5Confident6 Ų676.9 Ų76.93%0.03139%0.394CS..Hα-helixtrans-61.2-36.6177.1-74.7171.7000111.8I468 I469 G481 I482 I505 C509 K512I468-L472 HydrophobicContact CG2-CD1 3.85Å; I468-L472 HydrophobicContact CG2-CG 4.38Å; I468-L472 WeakPolarHBondContact O-CB 3.5Å; I468-L472 VanDerWaalsContact O-CG 3.29Å; I468-L472 WeakPolarHBondContact O-CG 3.43Å; I468-L472 PolarHBondContact O-N 2.82Å; I469-L472 PolarHBondContact O-N 3.41Å; L472-G481 WeakPolarHBondContact CD2-O 3.21Å; L472-I482 HydrophobicContact CD1-CB 4.4Å; L472-I482 HydrophobicContact CD2-CB 4.24Å; L472-I505 HydrophobicContact CD1-CD1 3.9Å; L472-I505 HydrophobicContact CD1-CG1 3.9Å; L472-I505 HydrophobicContact CD1-CG2 3.94Å; L472-C509 HydrophobicContact CB-CB 4.23Å; L472-K512 HydrophobicContact CB-CG 4.44Å; L472-K512 WeakPolarHBondContact O-CE 3.44Å; L472-K512 PolarHBondContact O-NZ 2.97Å
473N90.3Very high83.6Confident65 Ų6577.7 Ų77.735%0.34840%0.396SS..Hα-helixtrans-84.8-9.1178.4-74.8-29.9000114.6I469 N470 D471 T475 E508 C509I469-N473 WeakPolarHBondContact O-CB 3.12Å; I469-N473 PolarHBondContact O-N 3.28Å; I469-N473 PolarHBondContact O-ND2 2.88Å; N470-N473 CarbonylContact O-C 3.57Å; N470-N473 PolarHBondContact O-N 2.89Å; D471-N473 PolarHBondContact O-N 2.84Å; N473-T475 PolarHBondContact O-N 3.28Å; N473-T475 VanDerWaalsContact O-N 3.1Å; N473-E508 PolarHBondContact ND2-O 3.11Å; N473-E508 PolarHBondContact OD1-O 3.11Å; N473-C509 WeakPolarHBondContact OD1-CA 3.01Å
474D86.8Confident84.6Confident26 Ų2675.6 Ų75.614%0.13938%0.376CS..  trans-64.4114.2179.2-169.1-14.6000110.7N470 D471 R476 I477N470-D474 PolarHBondContact O-N 3.45Å; D471-D474 PolarHBondContact O-N 3.11Å; D474-R476 VanDerWaalsContact C-N 3.31Å; D474-R476 VanDerWaalsContact OD1-CB 3.23Å; D474-R476 WeakPolarHBondContact OD1-CB 3.42Å; D474-R476 WeakPolarHBondContact OD1-CG 3.29Å; D474-R476 IonicContact OD1-CZ 2.65Å; D474-R476 PolarHBondContact OD1-N 2.91Å; D474-R476 IonicContact OD1-NE 2.84Å; D474-R476 PolarHBondContact OD1-NE 3.21Å; D474-R476 IonicContact OD1-NH2 3.34Å; D474-R476 IonicContact OD2-CZ 2.92Å; D474-R476 IonicContact OD2-NE 2.78Å; D474-R476 PolarHBondContact OD2-NE 3.3Å; D474-R476 VanDerWaalsContact OD2-NE 3.16Å; D474-R476 IonicContact OD2-NH2 3.16Å; D474-R476 PolarHBondContact OD2-NH2 2.86Å; D474-I477 CarbonylContact O-C 3.41Å
475T86.1Confident85.4Confident129 Ų12975.9 Ų75.979%0.79139%0.386SS*.SBendtrans-79.9-14.5-178.154.70000113.2N473 I477N473-T475 PolarHBondContact O-N 3.28Å; N473-T475 VanDerWaalsContact O-N 3.1Å; T475-I477 VanDerWaalsContact C-N 3.32Å
476R84.1Confident84.9Confident209 Ų20977.8 Ų77.879%0.78941%0.407SS*.SBendtrans-71.1-31.9177.5-57.8170.6-65.2-177.82.7111.4D474D474-R476 VanDerWaalsContact C-N 3.31Å; D474-R476 VanDerWaalsContact OD1-CB 3.23Å; D474-R476 WeakPolarHBondContact OD1-CB 3.42Å; D474-R476 WeakPolarHBondContact OD1-CG 3.29Å; D474-R476 IonicContact OD1-CZ 2.65Å; D474-R476 PolarHBondContact OD1-N 2.91Å; D474-R476 IonicContact OD1-NE 2.84Å; D474-R476 PolarHBondContact OD1-NE 3.21Å; D474-R476 IonicContact OD1-NH2 3.34Å; D474-R476 IonicContact OD2-CZ 2.92Å; D474-R476 IonicContact OD2-NE 2.78Å; D474-R476 PolarHBondContact OD2-NE 3.3Å; D474-R476 VanDerWaalsContact OD2-NE 3.16Å; D474-R476 IonicContact OD2-NH2 3.16Å; D474-R476 PolarHBondContact OD2-NH2 2.86Å
477I75.8Confident84.2Confident98 Ų9877.5 Ų77.550%0.50342%0.421SS..SBendtrans-121.599.5176.1-56.5177.9000107.6D474 T475 R479D474-I477 CarbonylContact O-C 3.41Å; T475-I477 VanDerWaalsContact C-N 3.32Å; I477-R479 HydrophobicContact CG2-CG 4.37Å; I477-R479 PolarHBondContact O-N 3.01Å
478K77.1Confident84.2Confident203 Ų20373.2 Ų73.288%0.88340%0.402SS*.  trans-63106.1176.5-88.8-172174.3-178.20110.6
479R84.4Confident84.2Confident75 Ų7571.7 Ų71.728%0.28339%0.394SS..  trans-98.3132.8168.1-63.1172.2178.1105.9-15.5109.1D471 I477 K512D471-R479 WeakPolarHBondContact O-CD 3.2Å; D471-R479 PolarHBondContact O-NH1 2.86Å; D471-R479 IonicContact OD1-CZ 2.7Å; D471-R479 IonicContact OD1-NH1 3.34Å; D471-R479 PolarHBondContact OD1-NH1 2.76Å; D471-R479 IonicContact OD1-NH2 3.44Å; D471-R479 PolarHBondContact OD1-NH2 3.43Å; D471-R479 IonicContact OD2-NH2 3.16Å; I477-R479 HydrophobicContact CG2-CG 4.37Å; I477-R479 PolarHBondContact O-N 3.01Å; R479-K512 PolarHBondContact O-NZ 3.23Å
480Q89.2Confident84.2Confident143 Ų14371.4 Ų71.467%0.66839%0.393SS*.  trans-65.3-44.1175.7-168.7-178.7-38.800110.4K512 D513Q480-K512 WeakPolarHBondContact O-CA 3.38Å; Q480-K512 VanDerWaalsContact O-CD 3.31Å; Q480-K512 WeakPolarHBondContact O-CD 3.49Å; Q480-D513 WeakPolarHBondContact CG-OD1 3.46Å; Q480-D513 PolarHBondContact NE2-OD2 2.66Å; Q480-D513 PolarHBondContact O-N 3.11Å; Q480-D513 VanDerWaalsContact O-OD1 3.11Å
481G91.1Very high84.1Confident20 Ų2069.3 Ų69.321%0.20638%0.38CS..EExtended strand (participates in β ladder)trans176.2-143.7178.200000111L472 D513L472-G481 WeakPolarHBondContact CD2-O 3.21Å; G481-D513 CarbonylContact C-O 3.59Å; G481-D513 VanDerWaalsContact CA-O 3.23Å; G481-D513 WeakPolarHBondContact CA-O 3.41Å; G481-D513 VanDerWaalsContact CA-OD1 3.25Å; G481-D513 WeakPolarHBondContact CA-OD1 3.22Å; G481-D513 PolarHBondContact N-OD1 3.35Å
482I92.2Very high84Confident29 Ų2969.8 Ų69.815%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-125.9144.8-177.9-163.4166.3000111.9I468 L472 L484 I505 D513 I514 W515I468-I482 HydrophobicContact CG2-CD1 3.68Å; L472-I482 HydrophobicContact CD1-CB 4.4Å; L472-I482 HydrophobicContact CD2-CB 4.24Å; I482-L484 HydrophobicContact CD1-CD2 4.15Å; I482-L484 HydrophobicContact CG1-CD2 4.32Å; I482-I505 HydrophobicContact CD1-CD1 4.1Å; I482-I505 HydrophobicContact CG2-CD1 3.78Å; I482-D513 PolarHBondContact N-O 2.75Å; I482-I514 HydrophobicContact CG2-CB 4.33Å; I482-I514 HydrophobicContact CG2-CG1 4.15Å; I482-I514 HydrophobicContact CG2-CG2 3.94Å; I482-W515 PolarHBondContact O-N 3.27Å
483S90.4Very high83.6Confident73 Ų7376.7 Ų76.751%0.5142%0.418SS..EExtended strand (participates in β ladder)trans-111.5119.2170.5-63.60000109.8
484L86.9Confident83.3Confident17 Ų1776.2 Ų76.29%0.08942%0.416CS..EExtended strand (participates in β ladder)trans-95.1108.6172.2-55.8178.7000108.4I482 P489 I498 L501 V502 I514 W515 V516 W517I482-L484 HydrophobicContact CD1-CD2 4.15Å; I482-L484 HydrophobicContact CG1-CD2 4.32Å; L484-P489 HydrophobicContact CB-CB 4.35Å; L484-P489 HydrophobicContact CB-CG 4.09Å; L484-I498 HydrophobicContact CD1-CD1 4.49Å; L484-I498 HydrophobicContact CD1-CG2 4.01Å; L484-L501 HydrophobicContact CD2-CD2 4.17Å; L484-V502 HydrophobicContact CD1-CG2 3.75Å; L484-I514 HydrophobicContact CD1-CG2 4.3Å; L484-W515 PolarHBondContact N-O 3.31Å; L484-V516 HydrophobicContact CB-CG2 4.18Å; L484-V516 HydrophobicContact CD1-CG2 4.07Å; L484-V516 HydrophobicContact CG-CG2 4.49Å; L484-V516 WeakPolarHBondContact O-CA 3.33Å; L484-W517 PolarHBondContact O-N 2.95Å
485S82.7Confident83.4Confident85 Ų8575.4 Ų75.459%0.59441%0.412SS*.  trans-144.7152.6-179.4790000110.7
486G64.6Low83.6Confident45 Ų4573.2 Ų73.246%0.46440%0.399SS..SBendtrans88.5148.5-177.300000113.2D488G486-D488 PolarHBondContact O-N 2.9Å
487G65.9Low83.6Confident65 Ų6567.8 Ų67.867%0.6739%0.386SS*.SBendtrans63.410.1-179.400000116.4N494G487-N494 PolarHBondContact O-ND2 2.85Å
488D82Confident84.3Confident37 Ų3764.6 Ų64.620%0.19837%0.37CS..  trans44.397.9-164.9-156.9-38.9000113.6G486 L490 H491 N494 T518 G519G486-D488 PolarHBondContact O-N 2.9Å; D488-L490 PolarHBondContact O-N 3.04Å; D488-L490 VanDerWaalsContact O-N 3.1Å; D488-L490 PolarHBondContact OD1-N 2.59Å; D488-H491 HydrophobicContact CB-CB 4.2Å; D488-H491 VanDerWaalsContact O-CB 3.28Å; D488-H491 WeakPolarHBondContact O-CB 3.19Å; D488-H491 PolarHBondContact O-N 2.82Å; D488-H491 PolarHBondContact OD1-N 2.77Å; D488-N494 PolarHBondContact O-ND2 2.94Å; D488-T518 PolarHBondContact OD1-OG1 3.07Å; D488-T518 PolarHBondContact OD2-OG1 2.95Å; D488-G519 WeakPolarHBondContact OD2-CA 3.18Å; D488-G519 PolarHBondContact OD2-N 3.03Å
489P82.3Confident85.1Confident6 Ų656 Ų564%0.03933%0.333CS..THydrogen-bonded Turntrans-56.1-27.9179.5-23.433.3000113.8L484 I498 V516 W517L484-P489 HydrophobicContact CB-CB 4.35Å; L484-P489 HydrophobicContact CB-CG 4.09Å; P489-I498 HydrophobicContact CB-CD1 4.48Å; P489-I498 HydrophobicContact CB-CG1 4.43Å; P489-V516 HydrophobicContact CB-CG1 3.95Å; P489-V516 HydrophobicContact CG-CG1 4.08Å; P489-W517 WeakPolarHBondContact CD-O 3.45Å
490L91.6Very high85.4Confident0 Ų056.9 Ų56.90%034%0.339CS..THydrogen-bonded Turntrans-96.26.4179-60-175.3000112.7D488 V516 T518 Y520 L525 Q529 V532 V533 L539D488-L490 PolarHBondContact O-N 3.04Å; D488-L490 VanDerWaalsContact O-N 3.1Å; D488-L490 PolarHBondContact OD1-N 2.59Å; L490-V516 HydrophobicContact CG-CG1 4.36Å; L490-T518 HydrophobicContact CD1-CG2 3.94Å; L490-Y520 HydrophobicContact CB-CD2 4.4Å; L490-L525 HydrophobicContact CB-CD2 4.47Å; L490-L525 HydrophobicContact CD1-CD1 3.69Å; L490-L525 HydrophobicContact CD1-CD2 3.75Å; L490-L525 HydrophobicContact CD1-CG 4.41Å; L490-Q529 HydrophobicContact CB-CG 4.28Å; L490-Q529 WeakPolarHBondContact O-CG 3.33Å; L490-Q529 PolarHBondContact O-NE2 2.92Å; L490-V532 HydrophobicContact CD2-CB 3.89Å; L490-V532 HydrophobicContact CD2-CG1 3.93Å; L490-V532 HydrophobicContact CD2-CG2 4.33Å; L490-V533 HydrophobicContact CD1-CG2 4.08Å; L490-L539 HydrophobicContact CD1-CD1 4.15Å
491H87.5Confident85.6Confident67 Ų6750.2 Ų50.231%0.3131%0.308SS..SBendtrans-55.7134169.9-172.5-97.5000109.5D488 Q493 N494 V495D488-H491 HydrophobicContact CB-CB 4.2Å; D488-H491 VanDerWaalsContact O-CB 3.28Å; D488-H491 WeakPolarHBondContact O-CB 3.19Å; D488-H491 PolarHBondContact O-N 2.82Å; D488-H491 PolarHBondContact OD1-N 2.77Å; H491-Q493 PolarHBondContact ND1-N 3.39Å; H491-Q493 PolarHBondContact O-N 2.79Å; H491-N494 PolarHBondContact O-N 3.08Å; H491-V495 PolarHBondContact O-N 2.89Å
492P84.8Confident85.7Confident68 Ų6849.3 Ų49.344%0.44230%0.298SS..THydrogen-bonded Turntrans-53.2-27.2-171.9-30.635.3000115.5
493Q81.2Confident85.9Confident151 Ų15152.8 Ų52.871%0.70631%0.314SS*.THydrogen-bonded Turntrans-76.6-24.3176.6-64.5179.4-6.100113.9H491H491-Q493 PolarHBondContact ND1-N 3.39Å; H491-Q493 PolarHBondContact O-N 2.79Å
494N82.8Confident86.1Confident55 Ų5551.4 Ų51.429%0.29430%0.298SS..THydrogen-bonded Turntrans-92.6-23.2-178.2-60.6-17.1000112G487 D488 H491 P496 D497 I498G487-N494 PolarHBondContact O-ND2 2.85Å; D488-N494 PolarHBondContact O-ND2 2.94Å; H491-N494 PolarHBondContact O-N 3.08Å; N494-P496 VanDerWaalsContact C-CD 3.44Å; N494-D497 PolarHBondContact O-N 2.69Å; N494-I498 HydrophobicContact CB-CG1 4.29Å; N494-I498 WeakPolarHBondContact O-CG1 3.43Å; N494-I498 PolarHBondContact O-N 3.04Å
495V90Very high86.5Confident9 Ų950.7 Ų50.76%0.05529%0.294CS..Hα-helixtrans-50-44.9-175.8171.10000113.5H491 D497 L499 A528 Q529 V532H491-V495 PolarHBondContact O-N 2.89Å; V495-D497 PolarHBondContact O-N 3.1Å; V495-L499 WeakPolarHBondContact O-CB 3.1Å; V495-L499 PolarHBondContact O-N 3.37Å; V495-A528 HydrophobicContact CG1-CB 4.17Å; V495-A528 WeakPolarHBondContact CG1-O 3.37Å; V495-Q529 HydrophobicContact CG2-CG 3.76Å; V495-V532 HydrophobicContact CG1-CG2 4.15Å
496P88.7Confident87Confident82 Ų8250.6 Ų50.653%0.53228%0.281SS..Hα-helixtrans-60.5-45.2-178.9-24.135.1000113.5N494 K500N494-P496 VanDerWaalsContact C-CD 3.44Å; P496-K500 PolarHBondContact O-N 3.31Å
497D85Confident88.5Confident96 Ų9652.5 Ų52.551%0.51329%0.291SS..Hα-helixtrans-74.3-39.8-177.9-61.6-47.7000111.4N494 V495 K500 L501N494-D497 PolarHBondContact O-N 2.69Å; V495-D497 PolarHBondContact O-N 3.1Å; D497-K500 PolarHBondContact O-N 3.46Å; D497-L501 PolarHBondContact O-N 3.04Å
498I90.3Very high90Very high31 Ų3153.1 Ų53.116%0.15928%0.277CS..Hα-helixtrans-65-44175.9-66.5-64.5000110.8L484 P489 N494 K500 L501 V502 V532L484-I498 HydrophobicContact CD1-CD1 4.49Å; L484-I498 HydrophobicContact CD1-CG2 4.01Å; P489-I498 HydrophobicContact CB-CD1 4.48Å; P489-I498 HydrophobicContact CB-CG1 4.43Å; N494-I498 HydrophobicContact CB-CG1 4.29Å; N494-I498 WeakPolarHBondContact O-CG1 3.43Å; N494-I498 PolarHBondContact O-N 3.04Å; I498-K500 VanDerWaalsContact C-N 3.29Å; I498-K500 PolarHBondContact O-N 3.06Å; I498-L501 PolarHBondContact O-N 2.86Å; I498-V502 HydrophobicContact CG2-CG2 4.07Å; I498-V502 WeakPolarHBondContact O-CB 3.16Å; I498-V502 WeakPolarHBondContact O-CG2 3.39Å; I498-V502 PolarHBondContact O-N 3.13Å; I498-V532 HydrophobicContact CG2-CG1 3.74Å; I498-V532 HydrophobicContact CG2-CG2 4.36Å
499L93.7Very high90.5Very high22 Ų2251.5 Ų51.512%0.11527%0.269CS..Hα-helixtrans-57.5-46.3177-17760000110.8V495 V502 Q503 Q531 V532 L535V495-L499 WeakPolarHBondContact O-CB 3.1Å; V495-L499 PolarHBondContact O-N 3.37Å; L499-V502 PolarHBondContact O-N 2.71Å; L499-Q503 HydrophobicContact CD1-CG 4.38Å; L499-Q503 WeakPolarHBondContact O-CB 3.42Å; L499-Q503 VanDerWaalsContact O-CG 3.25Å; L499-Q503 WeakPolarHBondContact O-CG 3.35Å; L499-Q503 PolarHBondContact O-N 3.1Å; L499-Q531 HydrophobicContact CD1-CB 4Å; L499-Q531 HydrophobicContact CD2-CB 4.25Å; L499-V532 HydrophobicContact CB-CG2 3.9Å; L499-V532 HydrophobicContact CD1-CG2 3.96Å; L499-L535 HydrophobicContact CD1-CD1 3.85Å
500K91.5Very high91Very high93 Ų9356.3 Ų56.340%0.40430%0.3SS..Hα-helixtrans-60.1-47.1178-174.6-173.7168.2-135.90111.8E465 P496 D497 I498 Q503 R504E465-K500 VanDerWaalsContact CD-NZ 3.34Å; E465-K500 WeakPolarHBondContact OE1-CE 3.48Å; E465-K500 IonicContact OE1-NZ 2.69Å; E465-K500 PolarHBondContact OE1-NZ 2.88Å; E465-K500 IonicContact OE2-NZ 3.8Å; E465-K500 PolarHBondContact OE2-NZ 3.46Å; E465-K500 VanDerWaalsContact OE2-NZ 3.16Å; P496-K500 PolarHBondContact O-N 3.31Å; D497-K500 PolarHBondContact O-N 3.46Å; I498-K500 VanDerWaalsContact C-N 3.29Å; I498-K500 PolarHBondContact O-N 3.06Å; K500-Q503 PolarHBondContact O-N 3.13Å; K500-R504 WeakPolarHBondContact O-CG 3.33Å; K500-R504 PolarHBondContact O-N 3.35Å; K500-R504 VanDerWaalsContact O-N 3.11Å
501L91.9Very high90.9Very high4 Ų460.3 Ų60.32%0.02134%0.341CS..Hα-helixtrans-61.2-47.617717561.7000111.9F460 E465 I468 L484 D497 I498 Q503 R504 I505F460-L501 HydrophobicContact CE1-CB 4.41Å; F460-L501 HydrophobicContact CE1-CD2 4.43Å; F460-L501 HydrophobicContact CE2-CD2 4.39Å; F460-L501 HydrophobicContact CZ-CB 4.39Å; F460-L501 HydrophobicContact CZ-CD1 3.97Å; F460-L501 HydrophobicContact CZ-CD2 3.71Å; F460-L501 HydrophobicContact CZ-CG 4.22Å; E465-L501 HydrophobicContact CG-CD1 4.24Å; I468-L501 HydrophobicContact CD1-CD1 4.46Å; I468-L501 HydrophobicContact CG2-CD1 4.36Å; L484-L501 HydrophobicContact CD2-CD2 4.17Å; D497-L501 PolarHBondContact O-N 3.04Å; I498-L501 PolarHBondContact O-N 2.86Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; L501-Q503 PolarHBondContact O-N 2.92Å; L501-R504 WeakPolarHBondContact O-CB 3.46Å; L501-R504 PolarHBondContact O-N 3.37Å; L501-R504 VanDerWaalsContact O-N 3.16Å; L501-I505 HydrophobicContact CD1-CD1 3.89Å; L501-I505 HydrophobicContact CD1-CG1 4.11Å; L501-I505 HydrophobicContact CD2-CD1 4.46Å; L501-I505 HydrophobicContact CG-CD1 3.87Å; L501-I505 HydrophobicContact CG-CG1 4.44Å; L501-I505 WeakPolarHBondContact O-CG1 3.48Å; L501-I505 PolarHBondContact O-N 2.98Å
502V94.4Very high91.2Very high0 Ų058.9 Ų58.90%033%0.334CS..Hα-helixtrans-64.6-38.6-177.4174.60000111L484 I498 L499 I505 R506 I514 V532 L535 I536L484-V502 HydrophobicContact CD1-CG2 3.75Å; I498-V502 HydrophobicContact CG2-CG2 4.07Å; I498-V502 WeakPolarHBondContact O-CB 3.16Å; I498-V502 WeakPolarHBondContact O-CG2 3.39Å; I498-V502 PolarHBondContact O-N 3.13Å; L499-V502 PolarHBondContact O-N 2.71Å; V502-I505 PolarHBondContact O-N 2.95Å; V502-R506 WeakPolarHBondContact O-CB 3.36Å; V502-R506 PolarHBondContact O-N 3.11Å; V502-I514 HydrophobicContact CG1-CD1 3.77Å; V502-I514 HydrophobicContact CG2-CG2 4.38Å; V502-V532 HydrophobicContact CG2-CG1 4.27Å; V502-L535 HydrophobicContact CG1-CB 3.43Å; V502-L535 VanDerWaalsContact CG1-CB 3.43Å; V502-L535 HydrophobicContact CG1-CD1 4.33Å; V502-I536 HydrophobicContact CG1-CG2 3.88Å; V502-I536 HydrophobicContact CG2-CG2 4.39Å
503Q95.5Very high91.7Very high102 Ų10256.9 Ų56.948%0.47732%0.319SS..Hα-helixtrans-59.8-44.7172.5-76.5174.3-14.300111.8L499 K500 L501 R506 A507 L535L499-Q503 HydrophobicContact CD1-CG 4.38Å; L499-Q503 WeakPolarHBondContact O-CB 3.42Å; L499-Q503 VanDerWaalsContact O-CG 3.25Å; L499-Q503 WeakPolarHBondContact O-CG 3.35Å; L499-Q503 PolarHBondContact O-N 3.1Å; K500-Q503 PolarHBondContact O-N 3.13Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; L501-Q503 PolarHBondContact O-N 2.92Å; Q503-R506 PolarHBondContact O-N 3.34Å; Q503-A507 PolarHBondContact O-N 2.88Å; Q503-L535 HydrophobicContact CB-CD1 4.48Å; Q503-L535 HydrophobicContact CG-CD1 3.41Å; Q503-L535 VanDerWaalsContact CG-CD1 3.41Å
504R94.7Very high92.4Very high45 Ų4549.7 Ų49.717%0.1729%0.286CS..Hα-helixtrans-62.8-47.6176.3-73.5-168.367-173.5-2.8112.4E465 D466 I469 K500 L501 R506 A507 E508E465-R504 WeakPolarHBondContact OE2-CD 3.42Å; E465-R504 IonicContact OE2-CZ 3.5Å; E465-R504 IonicContact OE2-NE 3.34Å; E465-R504 IonicContact OE2-NH1 3.19Å; E465-R504 PolarHBondContact OE2-NH1 3.4Å; D466-R504 IonicContact OD1-CZ 2.82Å; D466-R504 IonicContact OD1-NH1 3.89Å; D466-R504 PolarHBondContact OD1-NH1 2.87Å; D466-R504 IonicContact OD1-NH2 3.27Å; D466-R504 PolarHBondContact OD1-NH2 3.47Å; I469-R504 HydrophobicContact CD1-CB 4.16Å; K500-R504 WeakPolarHBondContact O-CG 3.33Å; K500-R504 PolarHBondContact O-N 3.35Å; K500-R504 VanDerWaalsContact O-N 3.11Å; L501-R504 WeakPolarHBondContact O-CB 3.46Å; L501-R504 PolarHBondContact O-N 3.37Å; L501-R504 VanDerWaalsContact O-N 3.16Å; R504-R506 VanDerWaalsContact C-N 3.27Å; R504-R506 PolarHBondContact O-N 3.08Å; R504-A507 PolarHBondContact O-N 2.84Å; R504-A507 VanDerWaalsContact O-N 3.09Å; R504-E508 WeakPolarHBondContact CB-OE1 3.4Å; R504-E508 IonicContact CZ-OE1 2.72Å; R504-E508 IonicContact NE-OE1 2.78Å; R504-E508 PolarHBondContact NE-OE1 2.81Å; R504-E508 IonicContact NH2-OE1 3.7Å; R504-E508 PolarHBondContact NH2-OE1 2.91Å; R504-E508 IonicContact NH2-OE2 2.71Å; R504-E508 PolarHBondContact NH2-OE2 3.44Å; R504-E508 WeakPolarHBondContact O-CB 3.32Å; R504-E508 PolarHBondContact O-N 3.34Å
505I95Very high93Very high1 Ų148.4 Ų48.41%0.00528%0.277CS..Hα-helixtrans-59-41.6178.3-65.8173.3000110.7I468 I469 L472 I482 L501 V502 A507 C509 I514I468-I505 HydrophobicContact CG2-CD1 4.34Å; I469-I505 HydrophobicContact CD1-CB 4.31Å; I469-I505 HydrophobicContact CD1-CG1 3.63Å; L472-I505 HydrophobicContact CD1-CD1 3.9Å; L472-I505 HydrophobicContact CD1-CG1 3.9Å; L472-I505 HydrophobicContact CD1-CG2 3.94Å; I482-I505 HydrophobicContact CD1-CD1 4.1Å; I482-I505 HydrophobicContact CG2-CD1 3.78Å; L501-I505 HydrophobicContact CD1-CD1 3.89Å; L501-I505 HydrophobicContact CD1-CG1 4.11Å; L501-I505 HydrophobicContact CD2-CD1 4.46Å; L501-I505 HydrophobicContact CG-CD1 3.87Å; L501-I505 HydrophobicContact CG-CG1 4.44Å; L501-I505 WeakPolarHBondContact O-CG1 3.48Å; L501-I505 PolarHBondContact O-N 2.98Å; V502-I505 PolarHBondContact O-N 2.95Å; I505-A507 VanDerWaalsContact C-N 3.34Å; I505-A507 PolarHBondContact O-N 2.96Å; I505-C509 HydrophobicContact CG2-CB 4.09Å; I505-C509 WeakPolarHBondContact O-CA 3.35Å; I505-C509 VanDerWaalsContact O-CB 3.29Å; I505-C509 WeakPolarHBondContact O-CB 3.33Å; I505-C509 PolarHBondContact O-N 3.34Å; I505-I514 HydrophobicContact CB-CD1 4.01Å; I505-I514 HydrophobicContact CG2-CD1 3.67Å; I505-I514 HydrophobicContact CG2-CG1 3.96Å
506R94.4Very high93.2Very high84 Ų8448 Ų4832%0.31727%0.274SS..Hα-helixtrans-62.8-38.7176-82.9-66-165.6-148.1-11.6113.5V502 Q503 R504 I514 L535 N537 R567V502-R506 WeakPolarHBondContact O-CB 3.36Å; V502-R506 PolarHBondContact O-N 3.11Å; Q503-R506 PolarHBondContact O-N 3.34Å; R504-R506 VanDerWaalsContact C-N 3.27Å; R504-R506 PolarHBondContact O-N 3.08Å; R506-I514 HydrophobicContact CG-CD1 4.21Å; R506-L535 HydrophobicContact CG-CB 4.46Å; R506-L535 PolarHBondContact NE-O 2.68Å; R506-L535 PolarHBondContact NH2-O 3.48Å; R506-N537 PolarHBondContact NH1-OD1 2.9Å; R506-N537 PolarHBondContact NH2-OD1 2.85Å; R506-R567 VanDerWaalsContact NH2-CZ 3.32Å
507A95.3Very high93.5Very high84 Ų8446.8 Ų46.869%0.69426%0.259SS*.Hα-helixtrans-77.6-38.8-179.400000112.7Q503 R504 I505Q503-A507 PolarHBondContact O-N 2.88Å; R504-A507 PolarHBondContact O-N 2.84Å; R504-A507 VanDerWaalsContact O-N 3.09Å; I505-A507 VanDerWaalsContact C-N 3.34Å; I505-A507 PolarHBondContact O-N 2.96Å
508E96.5Very high93.8Very high79 Ų7942.5 Ų42.537%0.36924%0.236SC..Hα-helixtrans-107.9-16.6-165-60.4176.1-113.500113.6I469 N473 R504 P510I469-E508 HydrophobicContact CD1-CB 4.34Å; I469-E508 HydrophobicContact CG2-CB 3.76Å; N473-E508 PolarHBondContact ND2-O 3.11Å; N473-E508 PolarHBondContact OD1-O 3.11Å; R504-E508 WeakPolarHBondContact CB-OE1 3.4Å; R504-E508 IonicContact CZ-OE1 2.72Å; R504-E508 IonicContact NE-OE1 2.78Å; R504-E508 PolarHBondContact NE-OE1 2.81Å; R504-E508 IonicContact NH2-OE1 3.7Å; R504-E508 PolarHBondContact NH2-OE1 2.91Å; R504-E508 IonicContact NH2-OE2 2.71Å; R504-E508 PolarHBondContact NH2-OE2 3.44Å; R504-E508 WeakPolarHBondContact O-CB 3.32Å; R504-E508 PolarHBondContact O-N 3.34Å; E508-P510 VanDerWaalsContact C-CD 3.47Å; E508-P510 WeakPolarHBondContact O-CD 3.31Å
509C94.6Very high93.8Very high3 Ų342.1 Ų42.12%0.0224%0.24CC..SBendtrans-122.669.1-177.2-560000111.9L472 N473 I505 G511 K512L472-C509 HydrophobicContact CB-CB 4.23Å; N473-C509 WeakPolarHBondContact OD1-CA 3.01Å; I505-C509 HydrophobicContact CG2-CB 4.09Å; I505-C509 WeakPolarHBondContact O-CA 3.35Å; I505-C509 VanDerWaalsContact O-CB 3.29Å; I505-C509 WeakPolarHBondContact O-CB 3.33Å; I505-C509 PolarHBondContact O-N 3.34Å; C509-G511 PolarHBondContact O-N 3.19Å; C509-K512 HydrophobicContact CB-CB 4.17Å; C509-K512 HydrophobicContact CB-CG 3.71Å; C509-K512 WeakPolarHBondContact O-CB 3.47Å; C509-K512 WeakPolarHBondContact O-CG 3.26Å; C509-K512 PolarHBondContact O-N 3.43Å
510P91.1Very high93.8Very high107 Ų10744.2 Ų44.270%0.69525%0.247SC*.THydrogen-bonded Turntrans-60.4135.4-176.323.2-31.8000112.1E508 K512E508-P510 VanDerWaalsContact C-CD 3.47Å; E508-P510 WeakPolarHBondContact O-CD 3.31Å; P510-K512 VanDerWaalsContact C-N 3.31Å; P510-K512 PolarHBondContact O-N 3.11Å
511G91Very high93.9Very high83 Ų8344.6 Ų44.686%0.85625%0.248SC*.THydrogen-bonded Turntrans81.20.5179.600000115.4C509C509-G511 PolarHBondContact O-N 3.19Å
512K93.3Very high94.1Very high38 Ų3846.8 Ų46.817%0.16526%0.26CS..  trans-83.5132.9173.6-57.7-57172.3159.50111.1L472 R479 Q480 C509 P510L472-K512 HydrophobicContact CB-CG 4.44Å; L472-K512 WeakPolarHBondContact O-CE 3.44Å; L472-K512 PolarHBondContact O-NZ 2.97Å; R479-K512 PolarHBondContact O-NZ 3.23Å; Q480-K512 WeakPolarHBondContact O-CA 3.38Å; Q480-K512 VanDerWaalsContact O-CD 3.31Å; Q480-K512 WeakPolarHBondContact O-CD 3.49Å; C509-K512 HydrophobicContact CB-CB 4.17Å; C509-K512 HydrophobicContact CB-CG 3.71Å; C509-K512 WeakPolarHBondContact O-CB 3.47Å; C509-K512 WeakPolarHBondContact O-CG 3.26Å; C509-K512 PolarHBondContact O-N 3.43Å; P510-K512 VanDerWaalsContact C-N 3.31Å; P510-K512 PolarHBondContact O-N 3.11Å
513D94.5Very high94.1Very high25 Ų2553.4 Ų53.413%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-85.6146.9174.661.1-14.8000111.8Q480 G481 I482 W515 N537Q480-D513 WeakPolarHBondContact CG-OD1 3.46Å; Q480-D513 PolarHBondContact NE2-OD2 2.66Å; Q480-D513 PolarHBondContact O-N 3.11Å; Q480-D513 VanDerWaalsContact O-OD1 3.11Å; G481-D513 CarbonylContact C-O 3.59Å; G481-D513 VanDerWaalsContact CA-O 3.23Å; G481-D513 WeakPolarHBondContact CA-O 3.41Å; G481-D513 VanDerWaalsContact CA-OD1 3.25Å; G481-D513 WeakPolarHBondContact CA-OD1 3.22Å; G481-D513 PolarHBondContact N-OD1 3.35Å; I482-D513 PolarHBondContact N-O 2.75Å; D513-W515 PolarHBondContact OD2-NE1 2.63Å; D513-N537 WeakPolarHBondContact CA-OD1 3.27Å; D513-N537 HydrophobicContact CB-CB 4.05Å
514I96.2Very high94Very high0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-118.6117.3179-51.6176.6000107.5I482 L484 V502 I505 R506 V516 I536 N537 V538I482-I514 HydrophobicContact CG2-CB 4.33Å; I482-I514 HydrophobicContact CG2-CG1 4.15Å; I482-I514 HydrophobicContact CG2-CG2 3.94Å; L484-I514 HydrophobicContact CD1-CG2 4.3Å; V502-I514 HydrophobicContact CG1-CD1 3.77Å; V502-I514 HydrophobicContact CG2-CG2 4.38Å; I505-I514 HydrophobicContact CB-CD1 4.01Å; I505-I514 HydrophobicContact CG2-CD1 3.67Å; I505-I514 HydrophobicContact CG2-CG1 3.96Å; R506-I514 HydrophobicContact CG-CD1 4.21Å; I514-V516 HydrophobicContact CG2-CG2 4.5Å; I514-I536 HydrophobicContact CB-CB 4.08Å; I514-I536 HydrophobicContact CB-CG2 4.1Å; I514-I536 HydrophobicContact CG2-CB 4.03Å; I514-I536 HydrophobicContact CG2-CG2 3.57Å; I514-N537 PolarHBondContact N-OD1 3.04Å; I514-N537 PolarHBondContact O-N 2.88Å; I514-V538 PolarHBondContact O-N 2.98Å; I514-V538 VanDerWaalsContact O-N 3.13Å
515W96Very high94Very high29 Ų2952.8 Ų52.811%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-104.9137.9175.9-71.361.2000109.8I482 L484 D513 W517 V538 V540 W555I482-W515 PolarHBondContact O-N 3.27Å; L484-W515 PolarHBondContact N-O 3.31Å; D513-W515 PolarHBondContact OD2-NE1 2.63Å; W515-W517 HydrophobicContact CB-CE3 4.36Å; W515-W517 HydrophobicContact CB-CH2 3.95Å; W515-W517 HydrophobicContact CB-CZ3 3.49Å; W515-W517 VanDerWaalsContact CB-CZ3 3.49Å; W515-W517 HydrophobicContact CD2-CH2 4.13Å; W515-W517 AromaticContact CE3-CH2 3.46Å; W515-W517 HydrophobicContact CE3-CH2 3.46Å; W515-W517 VanDerWaalsContact CE3-CH2 3.46Å; W515-W517 AromaticContact CE3-CZ2 3.91Å; W515-W517 HydrophobicContact CE3-CZ2 3.91Å; W515-W517 HydrophobicContact CE3-CZ3 4.17Å; W515-W517 HydrophobicContact CG-CH2 4.38Å; W515-W517 HydrophobicContact CG-CZ3 4.37Å; W515-W517 HydrophobicContact CZ3-CH2 4.28Å; W515-W517 HydrophobicContact CZ3-CZ2 4.38Å; W515-V538 CarbonylContact C-O 3.59Å; W515-V538 WeakPolarHBondContact CA-O 3.24Å; W515-V538 HydrophobicContact CD2-CB 3.64Å; W515-V538 HydrophobicContact CD2-CG1 3.98Å; W515-V538 HydrophobicContact CD2-CG2 3.96Å; W515-V538 HydrophobicContact CE3-CB 3.83Å; W515-V538 HydrophobicContact CE3-CG1 3.61Å; W515-V538 HydrophobicContact CE3-CG2 4.39Å; W515-V538 HydrophobicContact CG-CB 4Å; W515-V538 HydrophobicContact CG-CG2 4.44Å; W515-V538 HydrophobicContact CH2-CB 4.48Å; W515-V538 HydrophobicContact CH2-CG1 4.09Å; W515-V538 HydrophobicContact CH2-CG2 4.26Å; W515-V538 HydrophobicContact CZ2-CB 4.32Å; W515-V538 HydrophobicContact CZ2-CG1 4.42Å; W515-V538 HydrophobicContact CZ2-CG2 3.81Å; W515-V538 HydrophobicContact CZ3-CB 4.26Å; W515-V538 HydrophobicContact CZ3-CG1 3.68Å; W515-V540 HydrophobicContact CE3-CG2 4.45Å; W515-W555 AromaticContact CH2-CD1 3.45Å; W515-W555 VanDerWaalsContact CH2-CD1 3.45Å; W515-W555 HydrophobicContact CH2-CD2 4.4Å; W515-W555 AromaticContact CH2-CG 3.9Å; W515-W555 HydrophobicContact CH2-CG 3.9Å; W515-W555 AromaticContact CH2-NE1 3.74Å; W515-W555 HydrophobicContact CZ3-CB 3.85Å; W515-W555 AromaticContact CZ3-CD1 3.66Å; W515-W555 HydrophobicContact CZ3-CD2 4.36Å; W515-W555 AromaticContact CZ3-CG 3.68Å; W515-W555 HydrophobicContact CZ3-CG 3.68Å
516V94.6Very high94Very high0 Ų056.2 Ų56.20%031%0.313CS..EExtended strand (participates in β ladder)trans-129.9129.5177.11800000109.9L484 P489 L490 I514 I536 V538 L539 V540L484-V516 HydrophobicContact CB-CG2 4.18Å; L484-V516 HydrophobicContact CD1-CG2 4.07Å; L484-V516 HydrophobicContact CG-CG2 4.49Å; L484-V516 WeakPolarHBondContact O-CA 3.33Å; P489-V516 HydrophobicContact CB-CG1 3.95Å; P489-V516 HydrophobicContact CG-CG1 4.08Å; L490-V516 HydrophobicContact CG-CG1 4.36Å; I514-V516 HydrophobicContact CG2-CG2 4.5Å; V516-I536 HydrophobicContact CB-CD1 3.62Å; V516-I536 HydrophobicContact CG2-CB 4.2Å; V516-I536 HydrophobicContact CG2-CD1 3.44Å; V516-I536 VanDerWaalsContact CG2-CD1 3.44Å; V516-I536 HydrophobicContact CG2-CG1 4.39Å; V516-I536 HydrophobicContact CG2-CG2 3.7Å; V516-V538 PolarHBondContact N-O 3.33Å; V516-L539 HydrophobicContact CB-CD1 4.05Å; V516-L539 HydrophobicContact CG1-CD1 4.07Å; V516-L539 CarbonylContact O-C 3.57Å; V516-V540 PolarHBondContact O-N 3.24Å
517W93.3Very high94.1Very high56 Ų5656.1 Ų56.121%0.21233%0.33CS..EExtended strand (participates in β ladder)trans-102.9130.6167.3-77.9-101.6000109.8L484 P489 W515 V540 W555L484-W517 PolarHBondContact O-N 2.95Å; P489-W517 WeakPolarHBondContact CD-O 3.45Å; W515-W517 HydrophobicContact CB-CE3 4.36Å; W515-W517 HydrophobicContact CB-CH2 3.95Å; W515-W517 HydrophobicContact CB-CZ3 3.49Å; W515-W517 VanDerWaalsContact CB-CZ3 3.49Å; W515-W517 HydrophobicContact CD2-CH2 4.13Å; W515-W517 AromaticContact CE3-CH2 3.46Å; W515-W517 HydrophobicContact CE3-CH2 3.46Å; W515-W517 VanDerWaalsContact CE3-CH2 3.46Å; W515-W517 AromaticContact CE3-CZ2 3.91Å; W515-W517 HydrophobicContact CE3-CZ2 3.91Å; W515-W517 HydrophobicContact CE3-CZ3 4.17Å; W515-W517 HydrophobicContact CG-CH2 4.38Å; W515-W517 HydrophobicContact CG-CZ3 4.37Å; W515-W517 HydrophobicContact CZ3-CH2 4.28Å; W515-W517 HydrophobicContact CZ3-CZ2 4.38Å; W517-V540 WeakPolarHBondContact CA-O 3.48Å; W517-V540 VanDerWaalsContact CD1-CB 3.45Å; W517-V540 HydrophobicContact CD2-CB 4.21Å; W517-V540 HydrophobicContact CD2-CG2 4.2Å; W517-V540 HydrophobicContact CG-CB 3.92Å; W517-V540 HydrophobicContact CG-CG1 4.43Å; W517-V540 HydrophobicContact CG-CG2 4.43Å; W517-V540 HydrophobicContact CZ2-CG2 3.99Å; W517-W555 HydrophobicContact CZ2-CB 4.3Å; W517-W555 WeakPolarHBondContact CZ2-O 3.43Å; W517-W555 PolarHBondContact NE1-O 2.95Å
518T91.9Very high94Very high7 Ų754.2 Ų54.24%0.04332%0.315CS..  trans-136.3150.1178.7-175.70000111.6D488 L490 Y520 L539 V540 D541 G542D488-T518 PolarHBondContact OD1-OG1 3.07Å; D488-T518 PolarHBondContact OD2-OG1 2.95Å; L490-T518 HydrophobicContact CD1-CG2 3.94Å; T518-Y520 VanDerWaalsContact C-N 3.32Å; T518-Y520 WeakPolarHBondContact CG2-O 3.44Å; T518-Y520 WeakPolarHBondContact OG1-CD2 3.48Å; T518-Y520 PolarHBondContact OG1-N 3Å; T518-L539 HydrophobicContact CG2-CD1 3.8Å; T518-L539 HydrophobicContact CG2-CG 4.43Å; T518-V540 PolarHBondContact N-O 3.24Å; T518-D541 HydrophobicContact CG2-CB 4.23Å; T518-G542 PolarHBondContact O-N 2.95Å
519G90.6Very high94Very high22 Ų2250.7 Ų50.723%0.22730%0.298CS..SBendtrans-80.1-13.5172.900000113.6D488 K543D488-G519 WeakPolarHBondContact OD2-CA 3.18Å; D488-G519 PolarHBondContact OD2-N 3.03Å; G519-K543 WeakPolarHBondContact O-CG 3.36Å; G519-K543 PolarHBondContact O-N 3.29Å
520Y93.4Very high94.2Very high67 Ų6753.1 Ų53.126%0.26331%0.31SS..SBendtrans-78156.4173.2-63.1-81.7000110.8L490 T518 L525 D541 G542L490-Y520 HydrophobicContact CB-CD2 4.4Å; T518-Y520 VanDerWaalsContact C-N 3.32Å; T518-Y520 WeakPolarHBondContact CG2-O 3.44Å; T518-Y520 WeakPolarHBondContact OG1-CD2 3.48Å; T518-Y520 PolarHBondContact OG1-N 3Å; Y520-L525 HydrophobicContact CG-CD2 4.11Å; Y520-D541 WeakPolarHBondContact O-CB 3.49Å; Y520-G542 PolarHBondContact O-N 3.26Å
521K94.6Very high94.5Very high100 Ų10053 Ų5344%0.43530%0.3SS..  trans-88.1153.2164-63.4-178.4177.1-179.10110.7D523 E524K521-D523 WeakPolarHBondContact CB-OD1 3.41Å; K521-D523 PolarHBondContact O-N 3.11Å; K521-E524 HydrophobicContact CB-CG 3.99Å; K521-E524 PolarHBondContact N-OE2 2.89Å; K521-E524 WeakPolarHBondContact O-CB 3.41Å; K521-E524 PolarHBondContact O-N 2.64Å
522L95.2Very high94.7Very high51 Ų5149 Ų4927%0.26726%0.259SS..G310 helixtrans-54.9-36.9-179.6-179.665000112.8E524 L525 M530 V533 L539 D541L522-E524 VanDerWaalsContact C-N 3.27Å; L522-E524 PolarHBondContact O-N 2.95Å; L522-L525 HydrophobicContact CD1-CD1 4.12Å; L522-L525 PolarHBondContact O-N 3.41Å; L522-M530 HydrophobicContact CD1-CE 4.44Å; L522-M530 HydrophobicContact CD1-SD 4.06Å; L522-V533 HydrophobicContact CD1-CG1 4.14Å; L522-L539 HydrophobicContact CB-CD2 4.25Å; L522-L539 HydrophobicContact CD1-CD2 3.64Å; L522-L539 HydrophobicContact CG-CD2 4.47Å; L522-D541 PolarHBondContact N-OD2 2.81Å
523D94.3Very high94.9Very high139 Ų13947.4 Ų47.474%0.74325%0.253SS*.G310 helixtrans-76.1-9.717861.9-21.3000114.2K521K521-D523 WeakPolarHBondContact CB-OD1 3.41Å; K521-D523 PolarHBondContact O-N 3.11Å
524E94.4Very high94.9Very high113 Ų11351 Ų5153%0.52827%0.272SS..G310 helixtrans-95.2-8.2176.7-62.6172.8156.600112.6K521 L522K521-E524 HydrophobicContact CB-CG 3.99Å; K521-E524 PolarHBondContact N-OE2 2.89Å; K521-E524 WeakPolarHBondContact O-CB 3.41Å; K521-E524 PolarHBondContact O-N 2.64Å; L522-E524 VanDerWaalsContact C-N 3.27Å; L522-E524 PolarHBondContact O-N 2.95Å
525L94.6Very high95Very high21 Ų2153.1 Ų53.111%0.1128%0.283CS..  trans-75134.2-175-61.1-176.6000112.1L490 Y520 L522 Q529 M530 V533 L539L490-L525 HydrophobicContact CB-CD2 4.47Å; L490-L525 HydrophobicContact CD1-CD1 3.69Å; L490-L525 HydrophobicContact CD1-CD2 3.75Å; L490-L525 HydrophobicContact CD1-CG 4.41Å; Y520-L525 HydrophobicContact CG-CD2 4.11Å; L522-L525 HydrophobicContact CD1-CD1 4.12Å; L522-L525 PolarHBondContact O-N 3.41Å; L525-Q529 HydrophobicContact CB-CB 4.06Å; L525-Q529 HydrophobicContact CD2-CB 4.08Å; L525-Q529 HydrophobicContact CD2-CG 4.44Å; L525-Q529 HydrophobicContact CG-CB 4.48Å; L525-M530 HydrophobicContact CB-CG 4.1Å; L525-M530 HydrophobicContact CB-SD 3.92Å; L525-M530 HydrophobicContact CD1-SD 3.91Å; L525-V533 HydrophobicContact CD1-CG2 3.62Å; L525-L539 HydrophobicContact CD1-CD2 4.35Å
526N94.8Very high95Very high72 Ų7251.7 Ų51.739%0.38528%0.278SS..  trans-79.7171.8172.971.143.1000112A528 Q529 M530N526-A528 VanDerWaalsContact C-N 3.28Å; N526-A528 PolarHBondContact O-N 3.41Å; N526-A528 WeakPolarHBondContact OD1-CA 3.36Å; N526-A528 WeakPolarHBondContact OD1-CB 3.25Å; N526-A528 PolarHBondContact OD1-N 3.29Å; N526-Q529 PolarHBondContact ND2-OE1 3.03Å; N526-Q529 PolarHBondContact O-N 3.02Å; N526-Q529 PolarHBondContact OD1-N 3.38Å; N526-M530 WeakPolarHBondContact O-CG 3.5Å; N526-M530 PolarHBondContact O-N 3.15Å
527A95.5Very high95.1Very high82 Ų8252.8 Ų52.868%0.67828%0.283SS*.Hα-helixtrans-57.2-36.4-177.800000114M530 Q531A527-M530 PolarHBondContact O-N 3.35Å; A527-Q531 PolarHBondContact O-N 3.15Å
528A94Very high95.3Very high45 Ų4550.4 Ų50.437%0.37228%0.275SS..Hα-helixtrans-71.9-39.8179.400000111.8V495 N526 M530 Q531V495-A528 HydrophobicContact CG1-CB 4.17Å; V495-A528 WeakPolarHBondContact CG1-O 3.37Å; N526-A528 VanDerWaalsContact C-N 3.28Å; N526-A528 PolarHBondContact O-N 3.41Å; N526-A528 WeakPolarHBondContact OD1-CA 3.36Å; N526-A528 WeakPolarHBondContact OD1-CB 3.25Å; N526-A528 PolarHBondContact OD1-N 3.29Å; A528-M530 VanDerWaalsContact C-N 3.33Å; A528-Q531 WeakPolarHBondContact O-CB 3.32Å; A528-Q531 PolarHBondContact O-N 2.93Å
529Q97.1Very high95.5Very high5 Ų550.1 Ų50.12%0.02327%0.273CS..Hα-helixtrans-64.9-40.2173.6-67.9165.8-57.300110.9L490 V495 L525 N526 Q531 V532 V533L490-Q529 HydrophobicContact CB-CG 4.28Å; L490-Q529 WeakPolarHBondContact O-CG 3.33Å; L490-Q529 PolarHBondContact O-NE2 2.92Å; V495-Q529 HydrophobicContact CG2-CG 3.76Å; L525-Q529 HydrophobicContact CB-CB 4.06Å; L525-Q529 HydrophobicContact CD2-CB 4.08Å; L525-Q529 HydrophobicContact CD2-CG 4.44Å; L525-Q529 HydrophobicContact CG-CB 4.48Å; N526-Q529 PolarHBondContact ND2-OE1 3.03Å; N526-Q529 PolarHBondContact O-N 3.02Å; N526-Q529 PolarHBondContact OD1-N 3.38Å; Q529-Q531 VanDerWaalsContact C-N 3.26Å; Q529-Q531 PolarHBondContact O-N 3.4Å; Q529-V532 WeakPolarHBondContact O-CB 3.44Å; Q529-V532 PolarHBondContact O-N 2.95Å; Q529-V533 PolarHBondContact O-N 3.37Å
530M97.3Very high95.8Very high54 Ų5449 Ų4927%0.26626%0.262SS..Hα-helixtrans-62-31177.7-76.6-54.6-55.700113.2L522 L525 N526 A527 A528 V532 V533 D534L522-M530 HydrophobicContact CD1-CE 4.44Å; L522-M530 HydrophobicContact CD1-SD 4.06Å; L525-M530 HydrophobicContact CB-CG 4.1Å; L525-M530 HydrophobicContact CB-SD 3.92Å; L525-M530 HydrophobicContact CD1-SD 3.91Å; N526-M530 WeakPolarHBondContact O-CG 3.5Å; N526-M530 PolarHBondContact O-N 3.15Å; A527-M530 PolarHBondContact O-N 3.35Å; A528-M530 VanDerWaalsContact C-N 3.33Å; M530-V532 PolarHBondContact O-N 3.28Å; M530-V533 HydrophobicContact CE-CB 4.01Å; M530-V533 HydrophobicContact CE-CG1 3.94Å; M530-V533 PolarHBondContact O-N 3.46Å; M530-V533 VanDerWaalsContact O-N 3.07Å; M530-V533 HydrophobicContact SD-CB 4.11Å; M530-V533 HydrophobicContact SD-CG1 4.33Å; M530-V533 HydrophobicContact SD-CG2 4.23Å; M530-D534 WeakPolarHBondContact O-CB 3.25Å; M530-D534 PolarHBondContact O-N 2.94Å
531Q97Very high95.8Very high103 Ų10346.2 Ų46.248%0.48125%0.252SS..Hα-helixtrans-59.2-32.6172.8-71.3178.3-5.600113.2L499 A527 A528 Q529L499-Q531 HydrophobicContact CD1-CB 4Å; L499-Q531 HydrophobicContact CD2-CB 4.25Å; A527-Q531 PolarHBondContact O-N 3.15Å; A528-Q531 WeakPolarHBondContact O-CB 3.32Å; A528-Q531 PolarHBondContact O-N 2.93Å; Q529-Q531 VanDerWaalsContact C-N 3.26Å; Q529-Q531 PolarHBondContact O-N 3.4Å
532V96.5Very high95.7Very high0 Ų041.6 Ų41.60%023%0.232CC..Hα-helixtrans-71.7-47.9173.4-179.20000109.5L490 V495 I498 L499 V502 Q529 M530 D534 L535 I536L490-V532 HydrophobicContact CD2-CB 3.89Å; L490-V532 HydrophobicContact CD2-CG1 3.93Å; L490-V532 HydrophobicContact CD2-CG2 4.33Å; V495-V532 HydrophobicContact CG1-CG2 4.15Å; I498-V532 HydrophobicContact CG2-CG1 3.74Å; I498-V532 HydrophobicContact CG2-CG2 4.36Å; L499-V532 HydrophobicContact CB-CG2 3.9Å; L499-V532 HydrophobicContact CD1-CG2 3.96Å; V502-V532 HydrophobicContact CG2-CG1 4.27Å; Q529-V532 WeakPolarHBondContact O-CB 3.44Å; Q529-V532 PolarHBondContact O-N 2.95Å; M530-V532 PolarHBondContact O-N 3.28Å; V532-D534 PolarHBondContact O-N 3.12Å; V532-L535 WeakPolarHBondContact O-CA 3.28Å; V532-L535 PolarHBondContact O-N 3.46Å; V532-I536 HydrophobicContact CG1-CG2 4.32Å; V532-I536 WeakPolarHBondContact O-CG2 3.26Å; V532-I536 PolarHBondContact O-N 3.38Å
533V96.7Very high95.3Very high5 Ų546.5 Ų46.53%0.0325%0.251CS..Hα-helixtrans-58.6-38.1-179.6179.60000111.5L490 L522 L525 Q529 M530 L535 I536 L539 L566 R567L490-V533 HydrophobicContact CD1-CG2 4.08Å; L522-V533 HydrophobicContact CD1-CG1 4.14Å; L525-V533 HydrophobicContact CD1-CG2 3.62Å; Q529-V533 PolarHBondContact O-N 3.37Å; M530-V533 HydrophobicContact CE-CB 4.01Å; M530-V533 HydrophobicContact CE-CG1 3.94Å; M530-V533 PolarHBondContact O-N 3.46Å; M530-V533 VanDerWaalsContact O-N 3.07Å; M530-V533 HydrophobicContact SD-CB 4.11Å; M530-V533 HydrophobicContact SD-CG1 4.33Å; M530-V533 HydrophobicContact SD-CG2 4.23Å; V533-L535 PolarHBondContact O-N 2.72Å; V533-I536 WeakPolarHBondContact O-CG1 3.41Å; V533-I536 PolarHBondContact O-N 3.26Å; V533-L539 HydrophobicContact CG1-CD2 4.45Å; V533-L539 HydrophobicContact CG2-CD2 4.39Å; V533-L566 HydrophobicContact CG1-CD1 3.53Å; V533-R567 PolarHBondContact O-NH2 3.17Å
534D96Very high94.9Very high99 Ų9944.7 Ų44.753%0.52924%0.237SC..THydrogen-bonded Turntrans-65-5.6174.8-70.2-18.2000113.7M530 V532 R567M530-D534 WeakPolarHBondContact O-CB 3.25Å; M530-D534 PolarHBondContact O-N 2.94Å; V532-D534 PolarHBondContact O-N 3.12Å; D534-R567 VanDerWaalsContact O-CZ 3.27Å; D534-R567 PolarHBondContact O-NH1 2.86Å; D534-R567 PolarHBondContact O-NH2 3.02Å
535L96.3Very high94.5Very high45 Ų4541.8 Ų41.824%0.23623%0.227CC..THydrogen-bonded Turntrans-117.1-6.7174.7-61.3173.8000115.2L499 V502 Q503 R506 V532 V533L499-L535 HydrophobicContact CD1-CD1 3.85Å; V502-L535 HydrophobicContact CG1-CB 3.43Å; V502-L535 VanDerWaalsContact CG1-CB 3.43Å; V502-L535 HydrophobicContact CG1-CD1 4.33Å; Q503-L535 HydrophobicContact CB-CD1 4.48Å; Q503-L535 HydrophobicContact CG-CD1 3.41Å; Q503-L535 VanDerWaalsContact CG-CD1 3.41Å; R506-L535 HydrophobicContact CG-CB 4.46Å; R506-L535 PolarHBondContact NE-O 2.68Å; R506-L535 PolarHBondContact NH2-O 3.48Å; V532-L535 WeakPolarHBondContact O-CA 3.28Å; V532-L535 PolarHBondContact O-N 3.46Å; V533-L535 PolarHBondContact O-N 2.72Å
536I96.4Very high94.2Very high0 Ų046.5 Ų46.50%025%0.248CC..  trans-99.6166.7179.672.4-177.4000114.2V502 I514 V516 V532 V533 L539 L566 R567V502-I536 HydrophobicContact CG1-CG2 3.88Å; V502-I536 HydrophobicContact CG2-CG2 4.39Å; I514-I536 HydrophobicContact CB-CB 4.08Å; I514-I536 HydrophobicContact CB-CG2 4.1Å; I514-I536 HydrophobicContact CG2-CB 4.03Å; I514-I536 HydrophobicContact CG2-CG2 3.57Å; V516-I536 HydrophobicContact CB-CD1 3.62Å; V516-I536 HydrophobicContact CG2-CB 4.2Å; V516-I536 HydrophobicContact CG2-CD1 3.44Å; V516-I536 VanDerWaalsContact CG2-CD1 3.44Å; V516-I536 HydrophobicContact CG2-CG1 4.39Å; V516-I536 HydrophobicContact CG2-CG2 3.7Å; V532-I536 HydrophobicContact CG1-CG2 4.32Å; V532-I536 WeakPolarHBondContact O-CG2 3.26Å; V532-I536 PolarHBondContact O-N 3.38Å; V533-I536 WeakPolarHBondContact O-CG1 3.41Å; V533-I536 PolarHBondContact O-N 3.26Å; I536-L539 HydrophobicContact CD1-CB 4.09Å; I536-L539 HydrophobicContact CD1-CD1 4Å; I536-L566 HydrophobicContact CD1-CD1 4.35Å; I536-L566 HydrophobicContact CG1-CD1 3.86Å; I536-R567 VanDerWaalsContact O-CZ 3.22Å; I536-R567 PolarHBondContact O-NE 3.11Å; I536-R567 PolarHBondContact O-NH2 3.26Å
537N97.5Very high94Very high23 Ų2350.3 Ų50.312%0.12327%0.269CS..SBendtrans-93.6-41.9179.6-7484000113R506 D513 I514 L566 R567R506-N537 PolarHBondContact NH1-OD1 2.9Å; R506-N537 PolarHBondContact NH2-OD1 2.85Å; D513-N537 WeakPolarHBondContact CA-OD1 3.27Å; D513-N537 HydrophobicContact CB-CB 4.05Å; I514-N537 PolarHBondContact N-OD1 3.04Å; I514-N537 PolarHBondContact O-N 2.88Å; N537-L566 WeakPolarHBondContact O-CB 3.35Å; N537-L566 PolarHBondContact O-N 3.06Å; N537-R567 PolarHBondContact ND2-O 2.95Å; N537-R567 VanDerWaalsContact ND2-O 3.08Å
538V96.8Very high93.7Very high6 Ų649.9 Ų49.94%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-133.2128.8-176.9-174.70000109.7I514 W515 V516 V540 V563 H564I514-V538 PolarHBondContact O-N 2.98Å; I514-V538 VanDerWaalsContact O-N 3.13Å; W515-V538 CarbonylContact C-O 3.59Å; W515-V538 WeakPolarHBondContact CA-O 3.24Å; W515-V538 HydrophobicContact CD2-CB 3.64Å; W515-V538 HydrophobicContact CD2-CG1 3.98Å; W515-V538 HydrophobicContact CD2-CG2 3.96Å; W515-V538 HydrophobicContact CE3-CB 3.83Å; W515-V538 HydrophobicContact CE3-CG1 3.61Å; W515-V538 HydrophobicContact CE3-CG2 4.39Å; W515-V538 HydrophobicContact CG-CB 4Å; W515-V538 HydrophobicContact CG-CG2 4.44Å; W515-V538 HydrophobicContact CH2-CB 4.48Å; W515-V538 HydrophobicContact CH2-CG1 4.09Å; W515-V538 HydrophobicContact CH2-CG2 4.26Å; W515-V538 HydrophobicContact CZ2-CB 4.32Å; W515-V538 HydrophobicContact CZ2-CG1 4.42Å; W515-V538 HydrophobicContact CZ2-CG2 3.81Å; W515-V538 HydrophobicContact CZ3-CB 4.26Å; W515-V538 HydrophobicContact CZ3-CG1 3.68Å; V516-V538 PolarHBondContact N-O 3.33Å; V538-V540 HydrophobicContact CG1-CG2 4.41Å; V538-V563 HydrophobicContact CG1-CG1 3.66Å; V538-H564 WeakPolarHBondContact CA-O 3.47Å
539L97.1Very high93.4Very high0 Ų053.5 Ų53.50%026%0.262CS..EExtended strand (participates in β ladder)trans-109.5126.6169.8-177.372.5000108.6L490 V516 T518 L522 L525 V533 I536 D541 H564 L566L490-L539 HydrophobicContact CD1-CD1 4.15Å; V516-L539 HydrophobicContact CB-CD1 4.05Å; V516-L539 HydrophobicContact CG1-CD1 4.07Å; V516-L539 CarbonylContact O-C 3.57Å; T518-L539 HydrophobicContact CG2-CD1 3.8Å; T518-L539 HydrophobicContact CG2-CG 4.43Å; L522-L539 HydrophobicContact CB-CD2 4.25Å; L522-L539 HydrophobicContact CD1-CD2 3.64Å; L522-L539 HydrophobicContact CG-CD2 4.47Å; L525-L539 HydrophobicContact CD1-CD2 4.35Å; V533-L539 HydrophobicContact CG1-CD2 4.45Å; V533-L539 HydrophobicContact CG2-CD2 4.39Å; I536-L539 HydrophobicContact CD1-CB 4.09Å; I536-L539 HydrophobicContact CD1-CD1 4Å; L539-D541 HydrophobicContact CD2-CB 4.27Å; L539-D541 HydrophobicContact CG-CB 4.38Å; L539-H564 HydrophobicContact CB-CB 4.28Å; L539-H564 PolarHBondContact N-O 3.28Å; L539-H564 PolarHBondContact O-N 3.01Å; L539-L566 HydrophobicContact CB-CD1 4.25Å
540V95.3Very high92.9Very high0 Ų056.1 Ų56.10%028%0.276CS..EExtended strand (participates in β ladder)trans-106.4107167.7-173.50000107.5W515 V516 W517 T518 V538 R556 Q561 V562 V563W515-V540 HydrophobicContact CE3-CG2 4.45Å; V516-V540 PolarHBondContact O-N 3.24Å; W517-V540 WeakPolarHBondContact CA-O 3.48Å; W517-V540 VanDerWaalsContact CD1-CB 3.45Å; W517-V540 HydrophobicContact CD2-CB 4.21Å; W517-V540 HydrophobicContact CD2-CG2 4.2Å; W517-V540 HydrophobicContact CG-CB 3.92Å; W517-V540 HydrophobicContact CG-CG1 4.43Å; W517-V540 HydrophobicContact CG-CG2 4.43Å; W517-V540 HydrophobicContact CZ2-CG2 3.99Å; T518-V540 PolarHBondContact N-O 3.24Å; V538-V540 HydrophobicContact CG1-CG2 4.41Å; V540-R556 HydrophobicContact CG1-CB 4.1Å; V540-Q561 HydrophobicContact CG1-CB 4.4Å; V540-V562 CarbonylContact C-O 3.55Å; V540-V562 WeakPolarHBondContact CA-O 3.48Å; V540-V563 HydrophobicContact CG1-CG2 4.38Å; V540-V563 HydrophobicContact CG2-CG1 4.34Å; V540-V563 HydrophobicContact CG2-CG2 4.21Å
541D95.1Very high92.1Very high8 Ų859.2 Ų59.24%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-100.2164.3-172.886.6-3.4000112.6T518 Y520 L522 L539 Q561 V562 H564T518-D541 HydrophobicContact CG2-CB 4.23Å; Y520-D541 WeakPolarHBondContact O-CB 3.49Å; L522-D541 PolarHBondContact N-OD2 2.81Å; L539-D541 HydrophobicContact CD2-CB 4.27Å; L539-D541 HydrophobicContact CG-CB 4.38Å; D541-Q561 WeakPolarHBondContact O-CA 3.33Å; D541-Q561 VanDerWaalsContact O-CB 3.22Å; D541-Q561 WeakPolarHBondContact O-CB 3.41Å; D541-V562 PolarHBondContact N-O 3.41Å; D541-V562 PolarHBondContact O-N 3.22Å; D541-V562 VanDerWaalsContact OD1-CB 3.26Å; D541-V562 WeakPolarHBondContact OD1-CB 3.47Å; D541-V562 PolarHBondContact OD1-N 3.39Å; D541-H564 VanDerWaalsContact CG-NE2 3.27Å; D541-H564 IonicContact OD1-NE2 3.79Å; D541-H564 IonicContact OD2-CD2 2.94Å; D541-H564 IonicContact OD2-CE1 3.78Å; D541-H564 IonicContact OD2-NE2 3.85Å; D541-H564 PolarHBondContact OD2-NE2 2.92Å
542G91.7Very high91.6Very high3 Ų358.6 Ų58.63%0.03131%0.307CS..SBendtrans91.1143175.200000114.9T518 Y520 Q561T518-G542 PolarHBondContact O-N 2.95Å; Y520-G542 PolarHBondContact O-N 3.26Å; G542-Q561 WeakPolarHBondContact O-CG 3.5Å; G542-Q561 PolarHBondContact O-NE2 3.34Å
543K87.8Confident90.9Very high153 Ų15360.5 Ų60.567%0.66532%0.318SS*.  trans-60.1143.5174.4-61.1-174.7-178.5168.80111G519 V545 N560G519-K543 WeakPolarHBondContact O-CG 3.36Å; G519-K543 PolarHBondContact O-N 3.29Å; K543-V545 PolarHBondContact O-N 2.99Å; K543-N560 PolarHBondContact O-ND2 3.47Å; K543-N560 PolarHBondContact O-OD1 3.06Å
544F84Confident90.2Very high101 Ų10166.1 Ų66.144%0.44335%0.346SS..  trans-67.6122.5166.7176.4-95.7000109.9Q546 K549 G557F544-Q546 HydrophobicContact CE1-CB 4.42Å; F544-Q546 VanDerWaalsContact CE1-OE1 3.3Å; F544-K549 HydrophobicContact CE2-CB 4.49Å; F544-K549 HydrophobicContact CE2-CG 4.4Å; F544-K549 HydrophobicContact CZ-CB 4.22Å; F544-K549 HydrophobicContact CZ-CD 4.3Å; F544-K549 HydrophobicContact CZ-CG 4.22Å; F544-G557 WeakPolarHBondContact CE2-O 3.31Å
545V87.1Confident89.7Confident52 Ų5269.1 Ų69.132%0.31535%0.35SS..  trans-112.2119.5175.7-179.50000109K543 D547 L548 K549 S558K543-V545 PolarHBondContact O-N 2.99Å; V545-D547 VanDerWaalsContact C-N 3.33Å; V545-D547 HydrophobicContact CG1-CB 4.48Å; V545-D547 PolarHBondContact O-N 2.87Å; V545-L548 HydrophobicContact CB-CB 4.17Å; V545-L548 HydrophobicContact CB-CD1 4.17Å; V545-L548 HydrophobicContact CB-CG 4.29Å; V545-L548 HydrophobicContact CG1-CB 4.3Å; V545-L548 HydrophobicContact CG1-CD1 4.18Å; V545-L548 HydrophobicContact CG1-CG 4.03Å; V545-L548 CarbonylContact O-C 3.51Å; V545-L548 PolarHBondContact O-N 2.87Å; V545-L548 VanDerWaalsContact O-N 3.12Å; V545-K549 PolarHBondContact O-N 2.98Å; V545-S558 PolarHBondContact N-OG 3.24Å; V545-S558 PolarHBondContact O-OG 3.09Å
546Q87.4Confident89.3Confident120 Ų12070.9 Ų70.956%0.56135%0.354SS*.G310 helixtrans-60.5-40-174.5-176.165.532.700112.7F544 L548 K549F544-Q546 HydrophobicContact CE1-CB 4.42Å; F544-Q546 VanDerWaalsContact CE1-OE1 3.3Å; Q546-L548 PolarHBondContact O-N 3.17Å; Q546-K549 WeakPolarHBondContact O-CB 3.42Å; Q546-K549 PolarHBondContact O-N 3.34Å; Q546-K549 VanDerWaalsContact O-N 3.1Å
547D90.4Very high88.6Confident153 Ų15372.2 Ų72.282%0.81837%0.367SS*.G310 helixtrans-68-19-179.7-60.2-25.3000113.1V545V545-D547 VanDerWaalsContact C-N 3.33Å; V545-D547 HydrophobicContact CG1-CB 4.48Å; V545-D547 PolarHBondContact O-N 2.87Å
548L90.1Very high88.1Confident72 Ų7271.1 Ų71.138%0.37736%0.362SS..G310 helixtrans-10410.9178.6-64-177.4000111.8V545 Q546 D550 S558 S559 N560V545-L548 HydrophobicContact CB-CB 4.17Å; V545-L548 HydrophobicContact CB-CD1 4.17Å; V545-L548 HydrophobicContact CB-CG 4.29Å; V545-L548 HydrophobicContact CG1-CB 4.3Å; V545-L548 HydrophobicContact CG1-CD1 4.18Å; V545-L548 HydrophobicContact CG1-CG 4.03Å; V545-L548 CarbonylContact O-C 3.51Å; V545-L548 PolarHBondContact O-N 2.87Å; V545-L548 VanDerWaalsContact O-N 3.12Å; Q546-L548 PolarHBondContact O-N 3.17Å; L548-D550 PolarHBondContact O-N 2.96Å; L548-S558 VanDerWaalsContact CB-OG 3.22Å; L548-S558 WeakPolarHBondContact CB-OG 3.32Å; L548-S558 WeakPolarHBondContact O-CA 3.31Å; L548-S558 PolarHBondContact O-OG 3.49Å; L548-S559 WeakPolarHBondContact CB-OG 3.28Å; L548-S559 PolarHBondContact O-N 3.36Å; L548-N560 HydrophobicContact CD1-CB 3.74Å
549K87.9Confident88Confident122 Ų12273.9 Ų73.953%0.5338%0.381SS..BIsolated β-bridgetrans-63.1124.6179179.6-174.8175.8-178.70110.1F544 V545 Q546 G557F544-K549 HydrophobicContact CE2-CB 4.49Å; F544-K549 HydrophobicContact CE2-CG 4.4Å; F544-K549 HydrophobicContact CZ-CB 4.22Å; F544-K549 HydrophobicContact CZ-CD 4.3Å; F544-K549 HydrophobicContact CZ-CG 4.22Å; V545-K549 PolarHBondContact O-N 2.98Å; Q546-K549 WeakPolarHBondContact O-CB 3.42Å; Q546-K549 PolarHBondContact O-N 3.34Å; Q546-K549 VanDerWaalsContact O-N 3.1Å; K549-G557 WeakPolarHBondContact CA-O 3.29Å
550D86.9Confident87.8Confident59 Ų5976.4 Ų76.432%0.31640%0.395SS..  trans-138.8107.5174.4177.4-0.5000109.3L548 S552 L553 G557L548-D550 PolarHBondContact O-N 2.96Å; D550-S552 PolarHBondContact O-N 3.3Å; D550-S552 VanDerWaalsContact OD1-CB 3.27Å; D550-S552 WeakPolarHBondContact OD1-CB 3.46Å; D550-S552 PolarHBondContact OD1-N 2.99Å; D550-S552 PolarHBondContact OD1-OG 2.91Å; D550-S552 PolarHBondContact OD2-OG 3.46Å; D550-S552 VanDerWaalsContact OD2-OG 3.08Å; D550-L553 HydrophobicContact CB-CD1 3.74Å; D550-L553 HydrophobicContact CB-CG 3.78Å; D550-L553 WeakPolarHBondContact O-CB 3.44Å; D550-L553 WeakPolarHBondContact O-CG 3.42Å; D550-L553 PolarHBondContact O-N 2.98Å; D550-L553 VanDerWaalsContact O-N 3.15Å; D550-G557 PolarHBondContact N-O 3.49Å
551P79.6Confident87.7Confident120 Ų12077.1 Ų77.178%0.77940%0.398SS*.THydrogen-bonded Turntrans-69.4-9.1-178.628.5-32.9000113.7L553P551-L553 VanDerWaalsContact C-N 3.28Å
552S86.3Confident87.7Confident89 Ų8979.9 Ų79.962%0.62242%0.415SS*.THydrogen-bonded Turntrans-78.8-14172.976.80000113D550 I554D550-S552 PolarHBondContact O-N 3.3Å; D550-S552 VanDerWaalsContact OD1-CB 3.27Å; D550-S552 WeakPolarHBondContact OD1-CB 3.46Å; D550-S552 PolarHBondContact OD1-N 2.99Å; D550-S552 PolarHBondContact OD1-OG 2.91Å; D550-S552 PolarHBondContact OD2-OG 3.46Å; D550-S552 VanDerWaalsContact OD2-OG 3.08Å; S552-I554 PolarHBondContact O-N 3.44Å
553L81.6Confident88Confident41 Ų4181.2 Ų81.222%0.21542%0.422CS..SBendtrans-71.4129.6179.5-63.4173.2000111.2D550 P551 R556D550-L553 HydrophobicContact CB-CD1 3.74Å; D550-L553 HydrophobicContact CB-CG 3.78Å; D550-L553 WeakPolarHBondContact O-CB 3.44Å; D550-L553 WeakPolarHBondContact O-CG 3.42Å; D550-L553 PolarHBondContact O-N 2.98Å; D550-L553 VanDerWaalsContact O-N 3.15Å; P551-L553 VanDerWaalsContact C-N 3.28Å; L553-R556 HydrophobicContact CB-CG 3.82Å; L553-R556 WeakPolarHBondContact CB-O 3.41Å; L553-R556 HydrophobicContact CD1-CG 4.21Å
554I83Confident88.4Confident122 Ų12276 Ų7663%0.62640%0.4SS*.SBendtrans-81.5124.8-179.9-55.5178.4000108.7S552 R556S552-I554 PolarHBondContact O-N 3.44Å; I554-R556 PolarHBondContact O-N 2.83Å
555W84.9Confident88.9Confident163 Ų16378 Ų7862%0.61741%0.41SS*.SBendtrans66.84.4176.2-46.9133.1000117.8W515 W517W515-W555 AromaticContact CH2-CD1 3.45Å; W515-W555 VanDerWaalsContact CH2-CD1 3.45Å; W515-W555 HydrophobicContact CH2-CD2 4.4Å; W515-W555 AromaticContact CH2-CG 3.9Å; W515-W555 HydrophobicContact CH2-CG 3.9Å; W515-W555 AromaticContact CH2-NE1 3.74Å; W515-W555 HydrophobicContact CZ3-CB 3.85Å; W515-W555 AromaticContact CZ3-CD1 3.66Å; W515-W555 HydrophobicContact CZ3-CD2 4.36Å; W515-W555 AromaticContact CZ3-CG 3.68Å; W515-W555 HydrophobicContact CZ3-CG 3.68Å; W517-W555 HydrophobicContact CZ2-CB 4.3Å; W517-W555 WeakPolarHBondContact CZ2-O 3.43Å; W517-W555 PolarHBondContact NE1-O 2.95Å
556R88.5Confident89.2Confident82 Ų8278.7 Ų78.731%0.30941%0.412SS..  trans-140.2148.3177.258.4-177.1168-160.6-4.1110.5V540 L553 I554 Q561V540-R556 HydrophobicContact CG1-CB 4.1Å; L553-R556 HydrophobicContact CB-CG 3.82Å; L553-R556 WeakPolarHBondContact CB-O 3.41Å; L553-R556 HydrophobicContact CD1-CG 4.21Å; I554-R556 PolarHBondContact O-N 2.83Å; R556-Q561 HydrophobicContact CB-CB 3.96Å; R556-Q561 WeakPolarHBondContact CD-O 3.42Å; R556-Q561 PolarHBondContact NH1-O 3.43Å
557G82.1Confident89.2Confident28 Ų2880.6 Ų80.629%0.28941%0.414SS..SBendtrans-92.4-18.5-176.300000113.6F544 K549 D550F544-G557 WeakPolarHBondContact CE2-O 3.31Å; K549-G557 WeakPolarHBondContact CA-O 3.29Å; D550-G557 PolarHBondContact N-O 3.49Å
558S87.5Confident89.1Confident0 Ų077 Ų770%039%0.394CS..BIsolated β-bridgetrans-139.7140.6-171.6-165.20000111.3V545 L548 N560 Q561V545-S558 PolarHBondContact N-OG 3.24Å; V545-S558 PolarHBondContact O-OG 3.09Å; L548-S558 VanDerWaalsContact CB-OG 3.22Å; L548-S558 WeakPolarHBondContact CB-OG 3.32Å; L548-S558 WeakPolarHBondContact O-CA 3.31Å; L548-S558 PolarHBondContact O-OG 3.49Å; S558-N560 WeakPolarHBondContact CB-OD1 3.19Å; S558-N560 PolarHBondContact O-N 2.85Å; S558-N560 PolarHBondContact OG-OD1 3.29Å; S558-Q561 VanDerWaalsContact N-OE1 3.14Å; S558-Q561 WeakPolarHBondContact O-CB 3.33Å; S558-Q561 PolarHBondContact O-N 2.94Å
559S93.1Very high89.1Confident64 Ų6477.3 Ų77.345%0.44840%0.395SS..THydrogen-bonded Turntrans-67.7-16.8-170.764.80000114.5L548 Q561L548-S559 WeakPolarHBondContact CB-OG 3.28Å; L548-S559 PolarHBondContact O-N 3.36Å; S559-Q561 VanDerWaalsContact C-N 3.32Å
560N93.8Very high89.1Confident53 Ų5374.8 Ų74.828%0.28339%0.388SS..THydrogen-bonded Turntrans-78.9-12.117369.6-75.6000114.1K543 L548 S558K543-N560 PolarHBondContact O-ND2 3.47Å; K543-N560 PolarHBondContact O-OD1 3.06Å; L548-N560 HydrophobicContact CD1-CB 3.74Å; S558-N560 WeakPolarHBondContact CB-OD1 3.19Å; S558-N560 PolarHBondContact O-N 2.85Å; S558-N560 PolarHBondContact OG-OD1 3.29Å
561Q93.8Very high89.3Confident15 Ų1575.7 Ų75.77%0.0739%0.392CS..  trans-79.4137.6-178.6-62-175.5-66.600110.2V540 D541 G542 R556 S558 S559V540-Q561 HydrophobicContact CG1-CB 4.4Å; D541-Q561 WeakPolarHBondContact O-CA 3.33Å; D541-Q561 VanDerWaalsContact O-CB 3.22Å; D541-Q561 WeakPolarHBondContact O-CB 3.41Å; G542-Q561 WeakPolarHBondContact O-CG 3.5Å; G542-Q561 PolarHBondContact O-NE2 3.34Å; R556-Q561 HydrophobicContact CB-CB 3.96Å; R556-Q561 WeakPolarHBondContact CD-O 3.42Å; R556-Q561 PolarHBondContact NH1-O 3.43Å; S558-Q561 VanDerWaalsContact N-OE1 3.14Å; S558-Q561 WeakPolarHBondContact O-CB 3.33Å; S558-Q561 PolarHBondContact O-N 2.94Å; S559-Q561 VanDerWaalsContact C-N 3.32Å
562V95.1Very high89.9Confident65 Ų6572.9 Ų72.939%0.39437%0.368SS..EExtended strand (participates in β ladder)trans-110.1133.5-178.6-171.40000109.9V540 D541V540-V562 CarbonylContact C-O 3.55Å; V540-V562 WeakPolarHBondContact CA-O 3.48Å; D541-V562 PolarHBondContact N-O 3.41Å; D541-V562 PolarHBondContact O-N 3.22Å; D541-V562 VanDerWaalsContact OD1-CB 3.26Å; D541-V562 WeakPolarHBondContact OD1-CB 3.47Å; D541-V562 PolarHBondContact OD1-N 3.39Å
563V96.3Very high90.1Very high31 Ų3171.9 Ų71.919%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-95.4114.3173.4-174.60000107.9V538 V540V538-V563 HydrophobicContact CG1-CG1 3.66Å; V540-V563 HydrophobicContact CG1-CG2 4.38Å; V540-V563 HydrophobicContact CG2-CG1 4.34Å; V540-V563 HydrophobicContact CG2-CG2 4.21Å
564H96.6Very high90.7Very high45 Ų4574.1 Ų74.121%0.20836%0.36CS..EExtended strand (participates in β ladder)trans-103113.7177-56.9-85.4000109.3V538 L539 D541 L566V538-H564 WeakPolarHBondContact CA-O 3.47Å; L539-H564 HydrophobicContact CB-CB 4.28Å; L539-H564 PolarHBondContact N-O 3.28Å; L539-H564 PolarHBondContact O-N 3.01Å; D541-H564 VanDerWaalsContact CG-NE2 3.27Å; D541-H564 IonicContact OD1-NE2 3.79Å; D541-H564 IonicContact OD2-CD2 2.94Å; D541-H564 IonicContact OD2-CE1 3.78Å; D541-H564 IonicContact OD2-NE2 3.85Å; D541-H564 PolarHBondContact OD2-NE2 2.92Å; H564-L566 HydrophobicContact CB-CD2 4.04Å
565H95.7Very high91.3Very high141 Ų14170.4 Ų70.465%0.65334%0.34SS*.EExtended strand (participates in β ladder)trans-87.2109.1170.3-66.7-80.4000108.8
566L93.6Very high91.9Very high67 Ų6762.7 Ų62.735%0.35132%0.317SS..  trans-92.6-22.4-171.4-56.6174.9000112.5V533 I536 N537 L539 H564V533-L566 HydrophobicContact CG1-CD1 3.53Å; I536-L566 HydrophobicContact CD1-CD1 4.35Å; I536-L566 HydrophobicContact CG1-CD1 3.86Å; N537-L566 WeakPolarHBondContact O-CB 3.35Å; N537-L566 PolarHBondContact O-N 3.06Å; L539-L566 HydrophobicContact CB-CD1 4.25Å; H564-L566 HydrophobicContact CB-CD2 4.04Å
567R86.1Confident92.2Very high161 Ų16160.9 Ų60.961%0.60832%0.317SS*.  trans-174.50179.140.7-179.6155.7-150.1-26113R506 V533 D534 I536 N537R506-R567 VanDerWaalsContact NH2-CZ 3.32Å; V533-R567 PolarHBondContact O-NH2 3.17Å; D534-R567 VanDerWaalsContact O-CZ 3.27Å; D534-R567 PolarHBondContact O-NH1 2.86Å; D534-R567 PolarHBondContact O-NH2 3.02Å; I536-R567 VanDerWaalsContact O-CZ 3.22Å; I536-R567 PolarHBondContact O-NE 3.11Å; I536-R567 PolarHBondContact O-NH2 3.26Å; N537-R567 PolarHBondContact ND2-O 2.95Å; N537-R567 VanDerWaalsContact ND2-O 3.08Å

Retrieved 567 of 567 residues in 2987.7 ms (Link to these results)

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