A0A5K4F7L6_SCHMA Loading...

JmjC domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7L6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 654 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
1M69.4Low88Confident165 Ų16558.8 Ų58.881%0.81330%0.298SS*.  0159.10-66.4-178.9-16300108.8A223M1-A223 WeakPolarHBondContact CB-O 3.11Å
2A83.1Confident88.6Confident24 Ų2462.4 Ų62.420%0.19832%0.315CS..PPolyproline II helixtrans-63.7147.6171.400000110.3E8 F9 M12A2-E8 HydrophobicContact CB-CB 3.79Å; A2-F9 HydrophobicContact CB-CB 3.89Å; A2-M12 HydrophobicContact CB-CE 3.34Å
3L87.5Confident89.1Confident81 Ų8158.2 Ų58.242%0.42429%0.294SS..PPolyproline II helixtrans-73.6138.1178.3-63.4175000109.9G5 S6 F9 R222 A223L3-G5 PolarHBondContact O-N 3.28Å; L3-S6 VanDerWaalsContact O-CB 3.27Å; L3-S6 WeakPolarHBondContact O-CB 3.46Å; L3-S6 PolarHBondContact O-N 3.46Å; L3-S6 PolarHBondContact O-OG 3.2Å; L3-F9 WeakPolarHBondContact O-CB 3.25Å; L3-R222 HydrophobicContact CB-CG 4.36Å; L3-R222 HydrophobicContact CD2-CG 4.27Å; L3-A223 HydrophobicContact CD2-CB 4.07Å
4S86.5Confident89.6Confident1 Ų160.4 Ų60.41%0.00731%0.307CS..THydrogen-bonded Turntrans-46.5131.3172.9-64.20000111.2S6 Q87 D178 R222S4-S6 VanDerWaalsContact C-N 3.32Å; S4-S6 PolarHBondContact O-N 3.22Å; S4-Q87 VanDerWaalsContact O-CG 3.23Å; S4-Q87 WeakPolarHBondContact O-CG 3.4Å; S4-D178 WeakPolarHBondContact CB-OD2 3.01Å; S4-D178 PolarHBondContact OG-OD2 3.36Å; S4-R222 PolarHBondContact N-O 3.49Å; S4-R222 PolarHBondContact OG-O 2.96Å
5G84.7Confident90Very high2 Ų261.9 Ų61.92%0.02133%0.332CS..THydrogen-bonded Turntrans82.5-8.2-17800000116.1L3L3-G5 PolarHBondContact O-N 3.28Å
6S90.3Very high90.3Very high17 Ų1763.6 Ų63.612%0.11933%0.332CS..SBendtrans-67.6161.3171.697.20000111.1L3 S4 E8 F9 V10L3-S6 VanDerWaalsContact O-CB 3.27Å; L3-S6 WeakPolarHBondContact O-CB 3.46Å; L3-S6 PolarHBondContact O-N 3.46Å; L3-S6 PolarHBondContact O-OG 3.2Å; S4-S6 VanDerWaalsContact C-N 3.32Å; S4-S6 PolarHBondContact O-N 3.22Å; S6-E8 VanDerWaalsContact C-N 3.3Å; S6-E8 WeakPolarHBondContact CB-OE2 3.33Å; S6-E8 PolarHBondContact O-N 3.03Å; S6-E8 PolarHBondContact OG-N 2.97Å; S6-E8 PolarHBondContact OG-OE2 3.13Å; S6-F9 PolarHBondContact O-N 3.21Å; S6-F9 PolarHBondContact OG-N 2.93Å; S6-F9 VanDerWaalsContact OG-N 3.14Å; S6-V10 WeakPolarHBondContact O-CG2 3.38Å; S6-V10 PolarHBondContact O-N 3.03Å
7K91.3Very high90.5Very high128 Ų12870.9 Ų70.956%0.55736%0.364SS*.Hα-helixtrans-60.8-44.2177.5-174.5-173.6172.6-168.60110.8F9 V10 D11K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 3.46Å; K7-V10 PolarHBondContact O-N 3.23Å; K7-D11 VanDerWaalsContact O-CG 3.25Å; K7-D11 PolarHBondContact O-N 3.5Å
8E93.1Very high90.8Very high115 Ų11569.4 Ų69.454%0.53736%0.355SS..Hα-helixtrans-62.2-39.6178.9-54.770.6-151.200111A2 S6 D11 M12A2-E8 HydrophobicContact CB-CB 3.79Å; S6-E8 VanDerWaalsContact C-N 3.3Å; S6-E8 WeakPolarHBondContact CB-OE2 3.33Å; S6-E8 PolarHBondContact O-N 3.03Å; S6-E8 PolarHBondContact OG-N 2.97Å; S6-E8 PolarHBondContact OG-OE2 3.13Å; E8-D11 PolarHBondContact O-N 3Å; E8-M12 WeakPolarHBondContact O-CG 3.4Å; E8-M12 PolarHBondContact O-N 3.39Å
9F93.6Very high91.1Very high13 Ų1369.6 Ų69.66%0.05736%0.359CS..Hα-helixtrans-63.1-46.6173.7173.8-88.8000111.8A2 L3 S6 K7 D11 M12 L13 Y176 F225A2-F9 HydrophobicContact CB-CB 3.89Å; L3-F9 WeakPolarHBondContact O-CB 3.25Å; S6-F9 PolarHBondContact O-N 3.21Å; S6-F9 PolarHBondContact OG-N 2.93Å; S6-F9 VanDerWaalsContact OG-N 3.14Å; K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 3.46Å; F9-D11 VanDerWaalsContact C-N 3.35Å; F9-D11 PolarHBondContact O-N 3.45Å; F9-M12 PolarHBondContact O-N 3.27Å; F9-L13 HydrophobicContact CE1-CB 4.41Å; F9-L13 HydrophobicContact CE1-CD2 4.22Å; F9-L13 WeakPolarHBondContact O-CB 3.02Å; F9-L13 PolarHBondContact O-N 3.15Å; F9-Y176 HydrophobicContact CD1-CD1 4.33Å; F9-Y176 HydrophobicContact CD1-CE1 4.31Å; F9-Y176 AromaticContact CE1-CD1 3.71Å; F9-Y176 HydrophobicContact CE1-CD1 3.71Å; F9-Y176 HydrophobicContact CE1-CD2 4.33Å; F9-Y176 AromaticContact CE1-CE1 3.34Å; F9-Y176 HydrophobicContact CE1-CE1 3.34Å; F9-Y176 HydrophobicContact CE1-CE2 4.03Å; F9-Y176 HydrophobicContact CE1-CG 4.17Å; F9-Y176 AromaticContact CE1-CZ 3.52Å; F9-Y176 AromaticContact CZ-CE1 3.75Å; F9-Y176 HydrophobicContact CZ-CE1 3.75Å; F9-Y176 AromaticContact CZ-CZ 3.75Å; F9-F225 AromaticContact CE2-CD2 3.77Å; F9-F225 HydrophobicContact CE2-CD2 3.77Å; F9-F225 HydrophobicContact CE2-CE2 4.42Å; F9-F225 AromaticContact CZ-CD2 3.71Å; F9-F225 HydrophobicContact CZ-CD2 3.71Å; F9-F225 AromaticContact CZ-CE2 3.96Å; F9-F225 HydrophobicContact CZ-CE2 3.96Å
10V93.5Very high91.3Very high13 Ų1369.2 Ų69.28%0.07936%0.363CS..Hα-helixtrans-63.5-41.6178.3172.20000111S6 K7 M12 L13 L14 Y269S6-V10 WeakPolarHBondContact O-CG2 3.38Å; S6-V10 PolarHBondContact O-N 3.03Å; K7-V10 PolarHBondContact O-N 3.23Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 3.13Å; V10-L13 WeakPolarHBondContact O-CB 3.46Å; V10-L13 PolarHBondContact O-N 2.89Å; V10-L14 HydrophobicContact CG1-CD1 3.89Å; V10-L14 HydrophobicContact CG1-CG 4.25Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 2.92Å; V10-L14 PolarHBondContact O-N 2.98Å; V10-Y269 HydrophobicContact CG1-CD2 4.28Å; V10-Y269 HydrophobicContact CG1-CE2 3.6Å
11D95.3Very high91.5Very high88 Ų8865.9 Ų65.947%0.47135%0.346SS..Hα-helixtrans-60.6-41.9176.5-68-22000110.9K7 E8 F9 A15K7-D11 VanDerWaalsContact O-CG 3.25Å; K7-D11 PolarHBondContact O-N 3.5Å; E8-D11 PolarHBondContact O-N 3Å; F9-D11 VanDerWaalsContact C-N 3.35Å; F9-D11 PolarHBondContact O-N 3.45Å; D11-A15 WeakPolarHBondContact O-CB 3.38Å; D11-A15 PolarHBondContact O-N 3.39Å; D11-A15 VanDerWaalsContact O-N 3.13Å
12M95Very high92.4Very high102 Ų10263.2 Ų63.250%0.50234%0.335SS..Hα-helixtrans-67.2-41.5173.5-71.2-173.5-58.600113A2 E8 F9 V10 L14 A15 R16A2-M12 HydrophobicContact CB-CE 3.34Å; E8-M12 WeakPolarHBondContact O-CG 3.4Å; E8-M12 PolarHBondContact O-N 3.39Å; F9-M12 PolarHBondContact O-N 3.27Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 3.13Å; M12-L14 VanDerWaalsContact C-N 3.3Å; M12-L14 PolarHBondContact O-N 3.26Å; M12-A15 PolarHBondContact O-N 3.15Å; M12-R16 PolarHBondContact O-N 3.17Å; M12-R16 VanDerWaalsContact O-N 3.14Å
13L95.1Very high92.7Very high7 Ų768.5 Ų68.54%0.03736%0.36CS..Hα-helixtrans-59.9-42.1177.7177.969.4000111F9 V10 R16 F18 Y176 Y200 F225F9-L13 HydrophobicContact CE1-CB 4.41Å; F9-L13 HydrophobicContact CE1-CD2 4.22Å; F9-L13 WeakPolarHBondContact O-CB 3.02Å; F9-L13 PolarHBondContact O-N 3.15Å; V10-L13 WeakPolarHBondContact O-CB 3.46Å; V10-L13 PolarHBondContact O-N 2.89Å; L13-R16 PolarHBondContact O-N 3.4Å; L13-F18 HydrophobicContact CD1-CE2 3.9Å; L13-F18 HydrophobicContact CD1-CZ 3.82Å; L13-Y176 HydrophobicContact CD2-CD2 3.73Å; L13-Y176 HydrophobicContact CD2-CE2 3.59Å; L13-Y200 HydrophobicContact CD1-CE1 4.22Å; L13-Y200 HydrophobicContact CD1-CE2 4.14Å; L13-Y200 HydrophobicContact CD2-CE2 3.84Å; L13-Y200 HydrophobicContact CG-CE2 4.24Å; L13-F225 HydrophobicContact CD1-CE2 3.95Å; L13-F225 HydrophobicContact CD1-CZ 3.93Å
14L95.5Very high92.9Very high90 Ų9066.8 Ų66.847%0.47135%0.35SS..Hα-helixtrans-74.9-26180-66.2176.4000113.4V10 M12 R16 Y269V10-L14 HydrophobicContact CG1-CD1 3.89Å; V10-L14 HydrophobicContact CG1-CG 4.25Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 2.92Å; V10-L14 PolarHBondContact O-N 2.98Å; M12-L14 VanDerWaalsContact C-N 3.3Å; M12-L14 PolarHBondContact O-N 3.26Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-Y269 HydrophobicContact CD1-CE1 4.34Å; L14-Y269 HydrophobicContact CD2-CD1 3.89Å; L14-Y269 HydrophobicContact CD2-CE1 3.56Å; L14-Y269 HydrophobicContact CG-CE1 4.46Å
15A96.2Very high93.3Very high83 Ų8367.3 Ų67.369%0.68635%0.353SS*.Hα-helixtrans-79.6-1617400000113.1D11 M12D11-A15 WeakPolarHBondContact O-CB 3.38Å; D11-A15 PolarHBondContact O-N 3.39Å; D11-A15 VanDerWaalsContact O-N 3.13Å; M12-A15 PolarHBondContact O-N 3.15Å
16R94.9Very high93.9Very high89 Ų8970.6 Ų70.634%0.33637%0.369SS..SBendtrans-81.5133.1-178-173.9167.5-179.2157.41.5111.4M12 L13 L14 F18 F225 D228M12-R16 PolarHBondContact O-N 3.17Å; M12-R16 VanDerWaalsContact O-N 3.14Å; L13-R16 PolarHBondContact O-N 3.4Å; L14-R16 VanDerWaalsContact C-N 3.33Å; R16-F18 HydrophobicContact CB-CE2 3.82Å; R16-F18 HydrophobicContact CB-CZ 4.07Å; R16-F18 HydrophobicContact CG-CD2 4.49Å; R16-F18 HydrophobicContact CG-CE1 4.2Å; R16-F18 HydrophobicContact CG-CE2 3.92Å; R16-F18 HydrophobicContact CG-CZ 3.78Å; R16-F18 WeakPolarHBondContact O-CD2 3.46Å; R16-F225 VanDerWaalsContact NH1-CD1 3.25Å; R16-D228 IonicContact CZ-OD1 2.68Å; R16-D228 VanDerWaalsContact NH1-CG 3.27Å; R16-D228 IonicContact NH1-OD1 3.72Å; R16-D228 PolarHBondContact NH1-OD1 3.31Å; R16-D228 IonicContact NH1-OD2 2.9Å; R16-D228 PolarHBondContact NH1-OD2 3.15Å; R16-D228 IonicContact NH2-OD1 3.59Å; R16-D228 PolarHBondContact NH2-OD1 3.33Å
17E94Very high94.2Very high188 Ų18873.2 Ų73.288%0.87938%0.381SS*.  trans-79.4133.6173.1-65.3-173.8169.700111
18F95.4Very high94.5Very high43 Ų4368.1 Ų68.119%0.18936%0.36CS..  trans-127.9151.8177.6-66.6-75.3000109.7L13 R16 Y200 F225 V247 C249L13-F18 HydrophobicContact CD1-CE2 3.9Å; L13-F18 HydrophobicContact CD1-CZ 3.82Å; R16-F18 HydrophobicContact CB-CE2 3.82Å; R16-F18 HydrophobicContact CB-CZ 4.07Å; R16-F18 HydrophobicContact CG-CD2 4.49Å; R16-F18 HydrophobicContact CG-CE1 4.2Å; R16-F18 HydrophobicContact CG-CE2 3.92Å; R16-F18 HydrophobicContact CG-CZ 3.78Å; R16-F18 WeakPolarHBondContact O-CD2 3.46Å; F18-Y200 HydrophobicContact CD1-CD1 4.37Å; F18-Y200 AromaticContact CD2-CD1 3.91Å; F18-Y200 HydrophobicContact CD2-CD1 3.91Å; F18-Y200 AromaticContact CD2-CE1 3.5Å; F18-Y200 HydrophobicContact CD2-CE1 3.5Å; F18-Y200 VanDerWaalsContact CD2-CE1 3.5Å; F18-Y200 HydrophobicContact CE1-CD1 4.36Å; F18-Y200 AromaticContact CE2-CD1 3.91Å; F18-Y200 HydrophobicContact CE2-CD1 3.91Å; F18-Y200 AromaticContact CE2-CE1 3.46Å; F18-Y200 HydrophobicContact CE2-CE1 3.46Å; F18-Y200 VanDerWaalsContact CE2-CE1 3.46Å; F18-Y200 HydrophobicContact CG-CD1 4.12Å; F18-Y200 HydrophobicContact CG-CE1 4.15Å; F18-Y200 HydrophobicContact CZ-CD1 4.13Å; F18-Y200 HydrophobicContact CZ-CE1 4.09Å; F18-F225 HydrophobicContact CE1-CE1 4.22Å; F18-F225 HydrophobicContact CE1-CZ 4.18Å; F18-F225 HydrophobicContact CZ-CE1 4.17Å; F18-F225 AromaticContact CZ-CZ 3.88Å; F18-F225 HydrophobicContact CZ-CZ 3.88Å; F18-V247 HydrophobicContact CD1-CB 3.74Å; F18-V247 HydrophobicContact CD1-CG1 3.77Å; F18-V247 HydrophobicContact CE1-CB 4.07Å; F18-V247 HydrophobicContact CE1-CG1 3.94Å; F18-V247 HydrophobicContact CE1-CG2 4.48Å; F18-C249 HydrophobicContact CB-CB 3.75Å
19T96.3Very high94.6Very high73 Ų7367.9 Ų67.945%0.44836%0.362SS..EExtended strand (participates in β ladder)trans-71139.5-179.9-53.30000110.3T246 V247 Y248 C249T19-T246 HydrophobicContact CG2-CG2 4.25Å; T19-V247 PolarHBondContact N-O 3.04Å; T19-Y248 HydrophobicContact CG2-CD1 4.08Å; T19-Y248 HydrophobicContact CG2-CE1 4.04Å; T19-Y248 CarbonylContact O-C 3.53Å; T19-Y248 WeakPolarHBondContact O-CA 3.09Å; T19-C249 PolarHBondContact O-N 2.98Å
20S95.6Very high94.8Very high62 Ų6267.4 Ų67.443%0.43436%0.361SS..EExtended strand (participates in β ladder)trans-60.5141.5173.1-1750000110.9D22S20-D22 VanDerWaalsContact C-N 3.27Å; S20-D22 PolarHBondContact O-N 3.14Å; S20-D22 PolarHBondContact OG-N 3.09Å; S20-D22 PolarHBondContact OG-OD2 3.38Å
21A94.7Very high94.9Very high0 Ų071.3 Ų71.30%039%0.388CS..SBendtrans-81.11.1177.500000114.4D23 Q24 V25 C249 L250A21-D23 VanDerWaalsContact C-N 3.27Å; A21-D23 PolarHBondContact O-N 3.45Å; A21-D23 VanDerWaalsContact O-N 3.14Å; A21-Q24 CarbonylContact O-C 3.59Å; A21-Q24 PolarHBondContact O-N 3.12Å; A21-V25 HydrophobicContact CB-CG2 3.71Å; A21-V25 VanDerWaalsContact O-CG2 3.26Å; A21-V25 WeakPolarHBondContact O-CG2 3.33Å; A21-V25 PolarHBondContact O-N 3.27Å; A21-C249 WeakPolarHBondContact CB-O 3.18Å; A21-C249 PolarHBondContact N-O 3.4Å; A21-C249 VanDerWaalsContact N-O 3.14Å; A21-L250 HydrophobicContact CB-CB 3.71Å; A21-L250 HydrophobicContact CB-CD1 4.14Å; A21-L250 HydrophobicContact CB-CG 4.4Å
22D88.5Confident95Very high109 Ų10970.8 Ų70.858%0.58339%0.385SS*.THydrogen-bonded Turntrans-53.9-37.5-172.2-65.8-40.4000113.9S20S20-D22 VanDerWaalsContact C-N 3.27Å; S20-D22 PolarHBondContact O-N 3.14Å; S20-D22 PolarHBondContact OG-N 3.09Å; S20-D22 PolarHBondContact OG-OD2 3.38Å
23D89.1Confident95.1Very high135 Ų13566.1 Ų66.172%0.72236%0.362SS*.THydrogen-bonded Turntrans-84.2-10.1179.4-64.3-36.8000114A21 K45A21-D23 VanDerWaalsContact C-N 3.27Å; A21-D23 PolarHBondContact O-N 3.45Å; A21-D23 VanDerWaalsContact O-N 3.14Å; D23-K45 PolarHBondContact O-NZ 2.93Å
24Q92.2Very high95.2Very high45 Ų4567.3 Ų67.321%0.2137%0.371CS..THydrogen-bonded Turntrans-108.2-6.1-178.8-61.2-53.9-3700113.6A21 K45 Y248A21-Q24 CarbonylContact O-C 3.59Å; A21-Q24 PolarHBondContact O-N 3.12Å; Q24-K45 WeakPolarHBondContact O-CB 3.43Å; Q24-Y248 HydrophobicContact CB-CD1 4.38Å; Q24-Y248 HydrophobicContact CB-CD2 4.43Å; Q24-Y248 HydrophobicContact CB-CG 4.33Å; Q24-Y248 HydrophobicContact CG-CD1 3.65Å; Q24-Y248 HydrophobicContact CG-CD2 3.88Å; Q24-Y248 HydrophobicContact CG-CE1 3.37Å; Q24-Y248 HydrophobicContact CG-CE2 3.61Å; Q24-Y248 HydrophobicContact CG-CG 3.89Å
25V95.4Very high95.2Very high12 Ų1263.2 Ų63.27%0.07335%0.35CS..SBendtrans-116.8125-177178.70000109A21 I27 P46 L48 L250A21-V25 HydrophobicContact CB-CG2 3.71Å; A21-V25 VanDerWaalsContact O-CG2 3.26Å; A21-V25 WeakPolarHBondContact O-CG2 3.33Å; A21-V25 PolarHBondContact O-N 3.27Å; V25-I27 PolarHBondContact O-N 3.48Å; V25-P46 CarbonylContact C-O 3.59Å; V25-P46 WeakPolarHBondContact CA-O 3.45Å; V25-P46 HydrophobicContact CG1-CB 4.49Å; V25-P46 HydrophobicContact CG2-CB 4.18Å; V25-L48 HydrophobicContact CG1-CB 3.55Å; V25-L250 HydrophobicContact CG1-CD2 4.29Å; V25-L250 HydrophobicContact CG2-CD1 4.18Å; V25-L250 HydrophobicContact CG2-CD2 3.75Å; V25-L250 HydrophobicContact CG2-CG 4.46Å
26L96.5Very high95.1Very high70 Ų7066.2 Ų66.237%0.36635%0.35SS..EExtended strand (participates in β ladder)trans-80.6115.4173.5-178.865000109.4M28 N41 P46 V47 L48L26-M28 HydrophobicContact CD2-CG 3.95Å; L26-M28 HydrophobicContact CD2-SD 3.65Å; L26-M28 HydrophobicContact CG-CG 3.82Å; L26-M28 HydrophobicContact CG-SD 4.2Å; L26-N41 VanDerWaalsContact CD2-ND2 3.31Å; L26-N41 WeakPolarHBondContact CD2-ND2 3.2Å; L26-P46 PolarHBondContact N-O 3.42Å; L26-V47 HydrophobicContact CB-CG2 4.33Å; L26-V47 HydrophobicContact CD2-CG2 4.42Å; L26-V47 CarbonylContact O-C 3.23Å; L26-V47 VanDerWaalsContact O-CA 3.25Å; L26-V47 WeakPolarHBondContact O-CA 3.42Å; L26-L48 PolarHBondContact O-N 3.42Å
27I96.6Very high95.2Very high72 Ų7263 Ų6337%0.36934%0.341SS..EExtended strand (participates in β ladder)trans-86123.3174.6-55.5-177.8000109V25 L48 R50V25-I27 PolarHBondContact O-N 3.48Å; I27-L48 WeakPolarHBondContact CA-O 3.34Å; I27-R50 HydrophobicContact CG2-CG 4.38Å
28M96.9Very high95.3Very high22 Ų2254.1 Ų54.111%0.10830%0.3CS..EExtended strand (participates in β ladder)trans-127.1152179.6-61.3-176.171.200111.4L26 D32 V33 F38 V47 L48 V49L26-M28 HydrophobicContact CD2-CG 3.95Å; L26-M28 HydrophobicContact CD2-SD 3.65Å; L26-M28 HydrophobicContact CG-CG 3.82Å; L26-M28 HydrophobicContact CG-SD 4.2Å; M28-D32 HydrophobicContact CE-CB 3.91Å; M28-D32 WeakPolarHBondContact CE-O 3.48Å; M28-V33 HydrophobicContact CB-CG2 3.86Å; M28-V33 HydrophobicContact CE-CG2 4.22Å; M28-V33 HydrophobicContact SD-CG2 4.17Å; M28-F38 HydrophobicContact SD-CE1 4.24Å; M28-V47 HydrophobicContact CB-CG1 4.08Å; M28-V47 HydrophobicContact CG-CG1 3.77Å; M28-V47 HydrophobicContact SD-CG1 3.57Å; M28-V47 VanDerWaalsContact SD-CG1 3.57Å; M28-V47 HydrophobicContact SD-CG2 4.41Å; M28-L48 PolarHBondContact N-O 2.76Å; M28-V49 WeakPolarHBondContact O-CA 3.45Å; M28-V49 WeakPolarHBondContact O-CG1 3.42Å
29N97.1Very high95.2Very high109 Ų10957.2 Ų57.258%0.58331%0.313SS*.  trans-79.8150.9163.3-53.8-60.6000109.1C31 D32N29-C31 PolarHBondContact O-N 3.34Å; N29-C31 VanDerWaalsContact O-N 3.15Å; N29-D32 WeakPolarHBondContact CB-OD2 3.46Å; N29-D32 PolarHBondContact ND2-OD2 3.5Å; N29-D32 VanDerWaalsContact ND2-OD2 3.11Å; N29-D32 PolarHBondContact O-N 2.82Å
30G96.7Very high95Very high3 Ų357.5 Ų57.53%0.03132%0.323CS..G310 helixtrans-63.1-25.3-176.700000113.9D32 V33 D53 G54G30-D32 VanDerWaalsContact C-N 3.27Å; G30-D32 PolarHBondContact O-N 3.35Å; G30-V33 PolarHBondContact O-N 3.1Å; G30-D53 WeakPolarHBondContact CA-O 3.42Å; G30-G54 VanDerWaalsContact C-C 3.46Å; G30-G54 CarbonylContact O-C 3.56Å; G30-G54 VanDerWaalsContact O-C 3.23Å
31C96.6Very high94.9Very high95 Ų9557.3 Ų57.364%0.64232%0.317SS*.G310 helixtrans-69.3-22.1173.8570000114.1N29N29-C31 PolarHBondContact O-N 3.34Å; N29-C31 VanDerWaalsContact O-N 3.15Å
32D96.9Very high94.8Very high77 Ų7757.9 Ų57.941%0.41232%0.322SS..G310 helixtrans-91.6-10.9-178.4-53.2-35.3000111.4M28 N29 G30 S34 S37M28-D32 HydrophobicContact CE-CB 3.91Å; M28-D32 WeakPolarHBondContact CE-O 3.48Å; N29-D32 WeakPolarHBondContact CB-OD2 3.46Å; N29-D32 PolarHBondContact ND2-OD2 3.5Å; N29-D32 VanDerWaalsContact ND2-OD2 3.11Å; N29-D32 PolarHBondContact O-N 2.82Å; G30-D32 VanDerWaalsContact C-N 3.27Å; G30-D32 PolarHBondContact O-N 3.35Å; D32-S34 PolarHBondContact O-N 3.1Å; D32-S37 VanDerWaalsContact O-CB 3.31Å; D32-S37 WeakPolarHBondContact O-CB 3.13Å; D32-S37 PolarHBondContact O-OG 3.23Å
33V97.5Very high95.2Very high5 Ų552.7 Ų52.73%0.0330%0.295CS..  trans-83.9112.4179.7175.90000110M28 G30 F38 V49 L55 V132 F259M28-V33 HydrophobicContact CB-CG2 3.86Å; M28-V33 HydrophobicContact CE-CG2 4.22Å; M28-V33 HydrophobicContact SD-CG2 4.17Å; G30-V33 PolarHBondContact O-N 3.1Å; V33-F38 HydrophobicContact CG1-CE1 3.91Å; V33-F38 HydrophobicContact CG1-CZ 4.01Å; V33-V49 HydrophobicContact CG2-CG2 3.8Å; V33-L55 HydrophobicContact CB-CD2 3.74Å; V33-L55 HydrophobicContact CG1-CD2 3.85Å; V33-L55 HydrophobicContact CG2-CD2 3.99Å; V33-V132 HydrophobicContact CG1-CB 3.89Å; V33-V132 HydrophobicContact CG1-CG1 3.58Å; V33-V132 HydrophobicContact CG1-CG2 4.25Å; V33-F259 HydrophobicContact CG1-CE2 4.13Å; V33-F259 HydrophobicContact CG1-CZ 4.2Å
34S96.9Very high95.5Very high31 Ų3150 Ų5022%0.21729%0.286CS..SBendtrans-151.6164.7179.8630000110.7D32 H36 S37 F38D32-S34 PolarHBondContact O-N 3.1Å; S34-H36 PolarHBondContact O-N 3.06Å; S34-S37 PolarHBondContact N-OG 3.22Å; S34-S37 PolarHBondContact O-N 3.07Å; S34-S37 PolarHBondContact O-OG 3.48Å; S34-S37 VanDerWaalsContact O-OG 3.1Å; S34-S37 PolarHBondContact OG-N 3.32Å; S34-S37 VanDerWaalsContact OG-N 3.11Å; S34-S37 PolarHBondContact OG-OG 3.12Å; S34-F38 PolarHBondContact O-N 3.14Å; S34-F38 VanDerWaalsContact O-N 3.13Å
35G95.1Very high95.7Very high4 Ų451.9 Ų51.94%0.04129%0.294CS..Hα-helixtrans-58.2-32.4172.500000112.4K39 E135G35-K39 WeakPolarHBondContact O-CB 3.42Å; G35-K39 WeakPolarHBondContact O-CD 3.41Å; G35-K39 VanDerWaalsContact O-CG 3.24Å; G35-K39 WeakPolarHBondContact O-CG 3.46Å; G35-K39 PolarHBondContact O-N 3.25Å; G35-E135 PolarHBondContact N-OE1 3.46Å; G35-E135 PolarHBondContact N-OE2 3.5Å; G35-E135 VanDerWaalsContact N-OE2 3.12Å
36H94.7Very high95.9Very high147 Ų14751.3 Ų51.368%0.68129%0.291SS*.Hα-helixtrans-67.6-47.5175.817973.5000112.5S34 F38 K39 A40S34-H36 PolarHBondContact O-N 3.06Å; H36-F38 VanDerWaalsContact C-N 3.32Å; H36-F38 PolarHBondContact O-N 2.86Å; H36-K39 PolarHBondContact O-N 2.71Å; H36-A40 WeakPolarHBondContact O-CB 3.37Å; H36-A40 PolarHBondContact O-N 3.36Å
37S95.9Very high95.9Very high22 Ų2248 Ų4815%0.15427%0.273CS..Hα-helixtrans-65.8-35.8-179.356.30000112.3D32 S34 A40 N41D32-S37 VanDerWaalsContact O-CB 3.31Å; D32-S37 WeakPolarHBondContact O-CB 3.13Å; D32-S37 PolarHBondContact O-OG 3.23Å; S34-S37 PolarHBondContact N-OG 3.22Å; S34-S37 PolarHBondContact O-N 3.07Å; S34-S37 PolarHBondContact O-OG 3.48Å; S34-S37 VanDerWaalsContact O-OG 3.1Å; S34-S37 PolarHBondContact OG-N 3.32Å; S34-S37 VanDerWaalsContact OG-N 3.11Å; S34-S37 PolarHBondContact OG-OG 3.12Å; S37-A40 PolarHBondContact O-N 3.08Å; S37-N41 PolarHBondContact O-N 3.06Å; S37-N41 PolarHBondContact O-ND2 3.38Å; S37-N41 PolarHBondContact O-OD1 3.32Å
38F96.2Very high96Very high0 Ų045.1 Ų45.10%026%0.259CS..Hα-helixtrans-69.2-37.3174.9-8128.1000112.3M28 V33 S34 H36 N41 G42 F43 V47 V132 L136 F259 L285M28-F38 HydrophobicContact SD-CE1 4.24Å; V33-F38 HydrophobicContact CG1-CE1 3.91Å; V33-F38 HydrophobicContact CG1-CZ 4.01Å; S34-F38 PolarHBondContact O-N 3.14Å; S34-F38 VanDerWaalsContact O-N 3.13Å; H36-F38 VanDerWaalsContact C-N 3.32Å; H36-F38 PolarHBondContact O-N 2.86Å; F38-N41 WeakPolarHBondContact CA-OD1 3.31Å; F38-N41 PolarHBondContact O-OD1 3.34Å; F38-G42 CarbonylContact O-C 3.48Å; F38-G42 WeakPolarHBondContact O-CA 3.26Å; F38-G42 PolarHBondContact O-N 3Å; F38-F43 HydrophobicContact CB-CB 4.07Å; F38-F43 HydrophobicContact CB-CG 4.48Å; F38-F43 HydrophobicContact CD2-CB 4.1Å; F38-F43 AromaticContact CD2-CD1 3.63Å; F38-F43 HydrophobicContact CD2-CD1 3.63Å; F38-F43 AromaticContact CD2-CD2 3.8Å; F38-F43 HydrophobicContact CD2-CD2 3.8Å; F38-F43 AromaticContact CD2-CE1 3.96Å; F38-F43 HydrophobicContact CD2-CE1 3.96Å; F38-F43 HydrophobicContact CD2-CE2 4.13Å; F38-F43 AromaticContact CD2-CG 3.57Å; F38-F43 HydrophobicContact CD2-CG 3.57Å; F38-F43 HydrophobicContact CD2-CZ 4.21Å; F38-F43 HydrophobicContact CE2-CD1 4.03Å; F38-F43 AromaticContact CE2-CD2 3.79Å; F38-F43 HydrophobicContact CE2-CD2 3.79Å; F38-F43 AromaticContact CE2-CE1 3.91Å; F38-F43 HydrophobicContact CE2-CE1 3.91Å; F38-F43 AromaticContact CE2-CE2 3.67Å; F38-F43 HydrophobicContact CE2-CE2 3.67Å; F38-F43 AromaticContact CE2-CG 4Å; F38-F43 HydrophobicContact CE2-CG 4Å; F38-F43 AromaticContact CE2-CZ 3.74Å; F38-F43 HydrophobicContact CE2-CZ 3.74Å; F38-F43 HydrophobicContact CG-CB 4.2Å; F38-F43 HydrophobicContact CG-CD2 4.35Å; F38-F43 HydrophobicContact CG-CG 4.12Å; F38-F43 HydrophobicContact CZ-CD2 4.3Å; F38-F43 HydrophobicContact CZ-CE2 4.16Å; F38-F43 PolarHBondContact O-N 2.81Å; F38-V47 HydrophobicContact CE1-CG1 4.35Å; F38-V47 HydrophobicContact CE1-CG2 4.04Å; F38-V47 HydrophobicContact CZ-CB 4.3Å; F38-V47 HydrophobicContact CZ-CG1 4.43Å; F38-V47 HydrophobicContact CZ-CG2 4.06Å; F38-V132 HydrophobicContact CD2-CG2 3.97Å; F38-V132 HydrophobicContact CE2-CG2 4.04Å; F38-V132 HydrophobicContact CG-CG2 4.24Å; F38-V132 HydrophobicContact CZ-CG2 4.4Å; F38-L136 HydrophobicContact CB-CD1 3.88Å; F38-L136 HydrophobicContact CD2-CD1 3.48Å; F38-L136 VanDerWaalsContact CD2-CD1 3.48Å; F38-L136 HydrophobicContact CE2-CD1 4.39Å; F38-L136 HydrophobicContact CG-CD1 4.07Å; F38-F259 HydrophobicContact CE2-CB 4.27Å; F38-F259 HydrophobicContact CE2-CD1 4.34Å; F38-F259 HydrophobicContact CE2-CG 4.24Å; F38-F259 HydrophobicContact CZ-CB 4.18Å; F38-F259 HydrophobicContact CZ-CD1 4.38Å; F38-F259 HydrophobicContact CZ-CD2 4.12Å; F38-F259 AromaticContact CZ-CG 3.98Å; F38-F259 HydrophobicContact CZ-CG 3.98Å; F38-L285 HydrophobicContact CB-CD1 4.3Å
39K93.6Very high96.1Very high109 Ų10944.1 Ų44.147%0.47425%0.253SS..Hα-helixtrans-63.9-43.2170.6-77.2167.8-177.4-175.70111.4G35 H36 G42 L285 F339G35-K39 WeakPolarHBondContact O-CB 3.42Å; G35-K39 WeakPolarHBondContact O-CD 3.41Å; G35-K39 VanDerWaalsContact O-CG 3.24Å; G35-K39 WeakPolarHBondContact O-CG 3.46Å; G35-K39 PolarHBondContact O-N 3.25Å; H36-K39 PolarHBondContact O-N 2.71Å; K39-G42 PolarHBondContact O-N 2.75Å; K39-L285 HydrophobicContact CB-CD2 4.41Å; K39-L285 HydrophobicContact CG-CD2 3.75Å; K39-F339 WeakPolarHBondContact O-CE2 3.26Å
40A93Very high96.1Very high79 Ų7946.7 Ų46.765%0.65326%0.255SS*.Hα-helixtrans-66.2-37.9-177.400000113.1H36 S37H36-A40 WeakPolarHBondContact O-CB 3.37Å; H36-A40 PolarHBondContact O-N 3.36Å; S37-A40 PolarHBondContact O-N 3.08Å
41N92.2Very high96.1Very high58 Ų5849 Ų4931%0.3127%0.27SS..Hα-helixtrans-93.3-0.817769.918.9000113.8L26 S37 F38 F43L26-N41 VanDerWaalsContact CD2-ND2 3.31Å; L26-N41 WeakPolarHBondContact CD2-ND2 3.2Å; S37-N41 PolarHBondContact O-N 3.06Å; S37-N41 PolarHBondContact O-ND2 3.38Å; S37-N41 PolarHBondContact O-OD1 3.32Å; F38-N41 WeakPolarHBondContact CA-OD1 3.31Å; F38-N41 PolarHBondContact O-OD1 3.34Å; N41-F43 PolarHBondContact O-N 3.06Å; N41-F43 WeakPolarHBondContact OD1-CA 3.34Å; N41-F43 PolarHBondContact OD1-N 3.15Å
42G94.3Very high96Very high11 Ų1147.2 Ų47.211%0.11325%0.252CS..THydrogen-bonded Turntrans70.20.7-176.600000115.6F38 K39 S44 H286F38-G42 CarbonylContact O-C 3.48Å; F38-G42 WeakPolarHBondContact O-CA 3.26Å; F38-G42 PolarHBondContact O-N 3Å; K39-G42 PolarHBondContact O-N 2.75Å; G42-S44 PolarHBondContact O-N 2.77Å; G42-H286 PolarHBondContact O-NE2 3.13Å
43F96.9Very high96Very high1 Ų149.3 Ų49.30%0.00426%0.263CS..THydrogen-bonded Turntrans45.745.5-175.1-173.4-148.5000111.6F38 N41 V47 F259 P261 F281 L285 H286F38-F43 HydrophobicContact CB-CB 4.07Å; F38-F43 HydrophobicContact CB-CG 4.48Å; F38-F43 HydrophobicContact CD2-CB 4.1Å; F38-F43 AromaticContact CD2-CD1 3.63Å; F38-F43 HydrophobicContact CD2-CD1 3.63Å; F38-F43 AromaticContact CD2-CD2 3.8Å; F38-F43 HydrophobicContact CD2-CD2 3.8Å; F38-F43 AromaticContact CD2-CE1 3.96Å; F38-F43 HydrophobicContact CD2-CE1 3.96Å; F38-F43 HydrophobicContact CD2-CE2 4.13Å; F38-F43 AromaticContact CD2-CG 3.57Å; F38-F43 HydrophobicContact CD2-CG 3.57Å; F38-F43 HydrophobicContact CD2-CZ 4.21Å; F38-F43 HydrophobicContact CE2-CD1 4.03Å; F38-F43 AromaticContact CE2-CD2 3.79Å; F38-F43 HydrophobicContact CE2-CD2 3.79Å; F38-F43 AromaticContact CE2-CE1 3.91Å; F38-F43 HydrophobicContact CE2-CE1 3.91Å; F38-F43 AromaticContact CE2-CE2 3.67Å; F38-F43 HydrophobicContact CE2-CE2 3.67Å; F38-F43 AromaticContact CE2-CG 4Å; F38-F43 HydrophobicContact CE2-CG 4Å; F38-F43 AromaticContact CE2-CZ 3.74Å; F38-F43 HydrophobicContact CE2-CZ 3.74Å; F38-F43 HydrophobicContact CG-CB 4.2Å; F38-F43 HydrophobicContact CG-CD2 4.35Å; F38-F43 HydrophobicContact CG-CG 4.12Å; F38-F43 HydrophobicContact CZ-CD2 4.3Å; F38-F43 HydrophobicContact CZ-CE2 4.16Å; F38-F43 PolarHBondContact O-N 2.81Å; N41-F43 PolarHBondContact O-N 3.06Å; N41-F43 WeakPolarHBondContact OD1-CA 3.34Å; N41-F43 PolarHBondContact OD1-N 3.15Å; F43-V47 HydrophobicContact CD2-CG2 4.06Å; F43-V47 HydrophobicContact CE2-CG2 4.04Å; F43-F259 HydrophobicContact CE2-CB 3.82Å; F43-F259 HydrophobicContact CZ-CB 3.73Å; F43-P261 HydrophobicContact CD2-CB 4.5Å; F43-P261 HydrophobicContact CD2-CG 3.88Å; F43-P261 HydrophobicContact CE2-CB 4.42Å; F43-P261 HydrophobicContact CE2-CG 3.74Å; F43-P261 HydrophobicContact CG-CG 4.41Å; F43-P261 HydrophobicContact CZ-CB 4.44Å; F43-P261 HydrophobicContact CZ-CG 4.18Å; F43-P261 WeakPolarHBondContact O-CB 3.33Å; F43-P261 WeakPolarHBondContact O-CG 3.41Å; F43-F281 HydrophobicContact CE1-CE2 4.43Å; F43-F281 HydrophobicContact CE1-CZ 4.03Å; F43-L285 HydrophobicContact CB-CD1 3.87Å; F43-L285 HydrophobicContact CD1-CD1 4.4Å; F43-H286 AromaticContact CD1-CE1 3.74Å; F43-H286 PolarHBondContact O-CE1 2.85Å; F43-H286 PolarHBondContact O-NE2 3.08Å
44S95.2Very high96Very high77 Ų7750.8 Ų50.854%0.53828%0.28SS..  trans-86.5-20.3-174.655.20000113.8G42 W264G42-S44 PolarHBondContact O-N 2.77Å; S44-W264 PolarHBondContact O-NE1 3.04Å; S44-W264 VanDerWaalsContact O-NE1 3.08Å
45K96.5Very high96Very high86 Ų8649.5 Ų49.537%0.37427%0.27SS..SBendtrans-116.8151.3179.2-73.6-175.7173.8-169.20111.1D23 Q24 P261D23-K45 PolarHBondContact O-NZ 2.93Å; Q24-K45 WeakPolarHBondContact O-CB 3.43Å; K45-P261 VanDerWaalsContact C-CG 3.43Å; K45-P261 WeakPolarHBondContact O-CG 3.44Å
46P98Very high96.1Very high0 Ų056.1 Ų56.10%029%0.294CS..  trans-51.5141.3169.5-27.833.8000111.7V25 L26 L201 I258 F259 L260 W264V25-P46 CarbonylContact C-O 3.59Å; V25-P46 WeakPolarHBondContact CA-O 3.45Å; V25-P46 HydrophobicContact CG1-CB 4.49Å; V25-P46 HydrophobicContact CG2-CB 4.18Å; L26-P46 PolarHBondContact N-O 3.42Å; P46-L201 HydrophobicContact CG-CD1 4.15Å; P46-I258 HydrophobicContact CB-CD1 4.36Å; P46-F259 WeakPolarHBondContact CA-O 3.49Å; P46-L260 HydrophobicContact CB-CD2 4.03Å; P46-L260 HydrophobicContact CG-CD2 3.95Å; P46-W264 HydrophobicContact CG-CD2 3.94Å; P46-W264 HydrophobicContact CG-CE3 3.8Å; P46-W264 HydrophobicContact CG-CH2 3.96Å; P46-W264 HydrophobicContact CG-CZ2 4.13Å; P46-W264 HydrophobicContact CG-CZ3 3.79Å
47V98.3Very high96.2Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-114122.7176.7179.70000108.8L26 M28 F38 F43 V49 I258 F259L26-V47 HydrophobicContact CB-CG2 4.33Å; L26-V47 HydrophobicContact CD2-CG2 4.42Å; L26-V47 CarbonylContact O-C 3.23Å; L26-V47 VanDerWaalsContact O-CA 3.25Å; L26-V47 WeakPolarHBondContact O-CA 3.42Å; M28-V47 HydrophobicContact CB-CG1 4.08Å; M28-V47 HydrophobicContact CG-CG1 3.77Å; M28-V47 HydrophobicContact SD-CG1 3.57Å; M28-V47 VanDerWaalsContact SD-CG1 3.57Å; M28-V47 HydrophobicContact SD-CG2 4.41Å; F38-V47 HydrophobicContact CE1-CG1 4.35Å; F38-V47 HydrophobicContact CE1-CG2 4.04Å; F38-V47 HydrophobicContact CZ-CB 4.3Å; F38-V47 HydrophobicContact CZ-CG1 4.43Å; F38-V47 HydrophobicContact CZ-CG2 4.06Å; F43-V47 HydrophobicContact CD2-CG2 4.06Å; F43-V47 HydrophobicContact CE2-CG2 4.04Å; V47-V49 HydrophobicContact CG1-CG2 4.29Å; V47-I258 CarbonylContact O-C 3.56Å; V47-I258 VanDerWaalsContact O-CA 3.32Å; V47-I258 WeakPolarHBondContact O-CA 3.47Å; V47-F259 HydrophobicContact CB-CB 4.22Å; V47-F259 HydrophobicContact CB-CD2 4.29Å; V47-F259 HydrophobicContact CG1-CD2 4.37Å; V47-F259 PolarHBondContact N-O 3.24Å; V47-F259 PolarHBondContact O-N 2.69Å
48L98.3Very high96.2Very high12 Ų1254.6 Ų54.66%0.06328%0.283CS..EExtended strand (participates in β ladder)trans-105.4128.6174.6-179.566.8000110.3V25 L26 I27 M28 L250 I252 Q256 I258V25-L48 HydrophobicContact CG1-CB 3.55Å; L26-L48 PolarHBondContact O-N 3.42Å; I27-L48 WeakPolarHBondContact CA-O 3.34Å; M28-L48 PolarHBondContact N-O 2.76Å; L48-L250 HydrophobicContact CD2-CD1 4.36Å; L48-I252 HydrophobicContact CD1-CD1 3.68Å; L48-Q256 HydrophobicContact CD1-CB 4.24Å; L48-I258 HydrophobicContact CD1-CB 4.44Å
49V98.3Very high96.2Very high0 Ų055.7 Ų55.70%029%0.29CS..EExtended strand (participates in β ladder)trans-116.2117175.9-167.60000108.6M28 V33 V47 S51 L55 Q256 T257 F259M28-V49 WeakPolarHBondContact O-CA 3.45Å; M28-V49 WeakPolarHBondContact O-CG1 3.42Å; V33-V49 HydrophobicContact CG2-CG2 3.8Å; V47-V49 HydrophobicContact CG1-CG2 4.29Å; V49-S51 WeakPolarHBondContact CG1-O 3.44Å; V49-S51 PolarHBondContact O-N 3.27Å; V49-L55 HydrophobicContact CB-CD1 4.26Å; V49-L55 HydrophobicContact CG1-CD1 4.09Å; V49-L55 HydrophobicContact CG1-CD2 4.18Å; V49-L55 HydrophobicContact CG1-CG 4.18Å; V49-L55 HydrophobicContact CG2-CD2 4.21Å; V49-Q256 WeakPolarHBondContact O-CA 3.31Å; V49-T257 PolarHBondContact N-O 3.38Å; V49-T257 PolarHBondContact O-N 3.49Å; V49-F259 HydrophobicContact CG2-CD2 4.26Å; V49-F259 HydrophobicContact CG2-CE2 3.85Å
50R96.8Very high96.2Very high164 Ų16451.2 Ų51.262%0.61927%0.272SS*.SBendtrans-73.5-24.1-171.4-68.1179.4176.5161-2.7114.2I27I27-R50 HydrophobicContact CG2-CG 4.38Å
51S96.4Very high96.1Very high50 Ų5054 Ų5435%0.3528%0.275SS..SBendtrans-133.2145.6175.5176.30000110V49 D53V49-S51 WeakPolarHBondContact CG1-O 3.44Å; V49-S51 PolarHBondContact O-N 3.27Å; S51-D53 PolarHBondContact O-N 2.93Å; S51-D53 VanDerWaalsContact OG-CG 3.25Å; S51-D53 PolarHBondContact OG-N 2.78Å; S51-D53 PolarHBondContact OG-OD2 3.46Å
52K95.8Very high96Very high59 Ų5956.9 Ų56.926%0.25729%0.29SS..SBendtrans-64.7-16.317264.3-173.5175.6-1630113.6G54 L55 L57 V59 D62K52-G54 PolarHBondContact O-N 3Å; K52-L55 WeakPolarHBondContact O-CB 3.38Å; K52-L55 PolarHBondContact O-N 3.45Å; K52-L55 VanDerWaalsContact O-N 3.13Å; K52-L57 HydrophobicContact CB-CD2 4.09Å; K52-V59 HydrophobicContact CD-CG2 4.08Å; K52-D62 IonicContact NZ-OD1 2.67Å; K52-D62 PolarHBondContact NZ-OD1 3.04Å; K52-D62 VanDerWaalsContact NZ-OD1 3.11Å
53D96.8Very high95.9Very high120 Ų12061 Ų6164%0.64232%0.318SS*.THydrogen-bonded Turntrans-58.9130.5-178.9-61.6-36.1000111.7G30 S51 L55G30-D53 WeakPolarHBondContact CA-O 3.42Å; S51-D53 PolarHBondContact O-N 2.93Å; S51-D53 VanDerWaalsContact OG-CG 3.25Å; S51-D53 PolarHBondContact OG-N 2.78Å; S51-D53 PolarHBondContact OG-OD2 3.46Å; D53-L55 VanDerWaalsContact C-N 3.3Å; D53-L55 PolarHBondContact O-N 3.15Å
54G96.8Very high95.8Very high37 Ų3761.6 Ų61.638%0.38132%0.32SS..THydrogen-bonded Turntrans87.7-21.7-177.200000115G30 K52 R56G30-G54 VanDerWaalsContact C-C 3.46Å; G30-G54 CarbonylContact O-C 3.56Å; G30-G54 VanDerWaalsContact O-C 3.23Å; K52-G54 PolarHBondContact O-N 3Å; G54-R56 PolarHBondContact O-N 3.15Å
55L97.7Very high95.8Very high4 Ų459.4 Ų59.42%0.02131%0.305CS..THydrogen-bonded Turntrans-68.9-15.1178.4-68-178.2000114V33 V49 K52 D53 L57 P130 H131 T257 F259V33-L55 HydrophobicContact CB-CD2 3.74Å; V33-L55 HydrophobicContact CG1-CD2 3.85Å; V33-L55 HydrophobicContact CG2-CD2 3.99Å; V49-L55 HydrophobicContact CB-CD1 4.26Å; V49-L55 HydrophobicContact CG1-CD1 4.09Å; V49-L55 HydrophobicContact CG1-CD2 4.18Å; V49-L55 HydrophobicContact CG1-CG 4.18Å; V49-L55 HydrophobicContact CG2-CD2 4.21Å; K52-L55 WeakPolarHBondContact O-CB 3.38Å; K52-L55 PolarHBondContact O-N 3.45Å; K52-L55 VanDerWaalsContact O-N 3.13Å; D53-L55 VanDerWaalsContact C-N 3.3Å; D53-L55 PolarHBondContact O-N 3.15Å; L55-L57 HydrophobicContact CB-CB 3.94Å; L55-L57 PolarHBondContact O-N 3.06Å; L55-L57 VanDerWaalsContact O-N 3.09Å; L55-P130 HydrophobicContact CB-CB 4.32Å; L55-H131 PolarHBondContact O-N 3.34Å; L55-T257 HydrophobicContact CD1-CG2 4.14Å; L55-F259 HydrophobicContact CD2-CE2 4.22Å; L55-F259 HydrophobicContact CD2-CZ 4.22Å
56R96.7Very high95.7Very high143 Ų14356.9 Ų56.954%0.5429%0.294SS..THydrogen-bonded Turntrans53.922.6-166.9-58178.9-75.3-97.4-9.3112.6G54 H131G54-R56 PolarHBondContact O-N 3.15Å; R56-H131 HydrophobicContact CB-CB 4.01Å; R56-H131 PolarHBondContact NH2-CD2 3.29Å; R56-H131 VanDerWaalsContact NH2-CG 3.34Å
57L96.9Very high95.6Very high17 Ų1759.4 Ų59.49%0.08931%0.31CS..  trans-66.4128.2170.1170.759.7000108.5K52 L55 V59 H128 P130 W189 H191K52-L57 HydrophobicContact CB-CD2 4.09Å; L55-L57 HydrophobicContact CB-CB 3.94Å; L55-L57 PolarHBondContact O-N 3.06Å; L55-L57 VanDerWaalsContact O-N 3.09Å; L57-V59 HydrophobicContact CD1-CG1 3.77Å; L57-V59 HydrophobicContact CD2-CG1 4.32Å; L57-V59 HydrophobicContact CG-CG1 3.99Å; L57-H128 WeakPolarHBondContact CD1-O 3.34Å; L57-P130 HydrophobicContact CB-CG 4.37Å; L57-P130 HydrophobicContact CD1-CG 4.27Å; L57-W189 HydrophobicContact CD1-CH2 4.39Å; L57-W189 HydrophobicContact CD1-CZ3 3.97Å; L57-H191 HydrophobicContact CD2-CB 4.01Å; L57-H191 WeakPolarHBondContact CD2-ND1 3.43Å
58K96.2Very high95.4Very high120 Ų12060.5 Ų60.552%0.52232%0.316SS..BIsolated β-bridgetrans-106.7130.6166.7-59.6-166.1-164.3162.20108.7F126 V127 H128K58-F126 CarbonylContact C-O 3.55Å; K58-V127 CarbonylContact O-C 3.41Å; K58-V127 VanDerWaalsContact O-CA 3.24Å; K58-V127 WeakPolarHBondContact O-CA 3.47Å; K58-H128 HydrophobicContact CB-CB 3.99Å; K58-H128 VanDerWaalsContact CD-CD2 3.42Å; K58-H128 WeakPolarHBondContact CD-CD2 3.48Å; K58-H128 HydrophobicContact CG-CB 4.27Å; K58-H128 PolarHBondContact N-O 3.44Å; K58-H128 VanDerWaalsContact N-O 3.08Å; K58-H128 PolarHBondContact O-N 2.87Å
59V95.3Very high95.2Very high23 Ų2359.9 Ų59.914%0.13931%0.313CS..  trans-141.2161.7173.2-71.10000107.8K52 L57 F126 V127 M193 F277K52-V59 HydrophobicContact CD-CG2 4.08Å; L57-V59 HydrophobicContact CD1-CG1 3.77Å; L57-V59 HydrophobicContact CD2-CG1 4.32Å; L57-V59 HydrophobicContact CG-CG1 3.99Å; V59-F126 PolarHBondContact N-O 3.37Å; V59-V127 HydrophobicContact CG1-CG1 4.45Å; V59-M193 HydrophobicContact CB-CE 4.43Å; V59-M193 HydrophobicContact CB-SD 3.61Å; V59-M193 HydrophobicContact CG1-SD 4.13Å; V59-M193 HydrophobicContact CG2-CE 4.45Å; V59-M193 HydrophobicContact CG2-SD 3.67Å; V59-F277 HydrophobicContact CB-CD2 4.31Å; V59-F277 HydrophobicContact CG1-CD2 3.88Å
60P93.4Very high95Very high14 Ų1461.1 Ų61.19%0.09132%0.32CS..  trans-52.5169.2171-27.635.4000113.5F64 L123 V127 M193 F277P60-F64 HydrophobicContact CB-CB 3.62Å; P60-F64 HydrophobicContact CB-CD1 4.44Å; P60-F64 HydrophobicContact CB-CD2 3.45Å; P60-F64 VanDerWaalsContact CB-CD2 3.45Å; P60-F64 HydrophobicContact CB-CE2 4.18Å; P60-F64 HydrophobicContact CB-CG 3.6Å; P60-F64 HydrophobicContact CG-CD1 4.48Å; P60-F64 HydrophobicContact CG-CD2 3.77Å; P60-F64 HydrophobicContact CG-CE2 3.99Å; P60-F64 HydrophobicContact CG-CG 4.02Å; P60-F64 HydrophobicContact CG-CZ 4.48Å; P60-L123 HydrophobicContact CG-CD1 4.18Å; P60-V127 HydrophobicContact CG-CG2 4.5Å; P60-M193 HydrophobicContact CB-CE 4.29Å; P60-M193 WeakPolarHBondContact O-CE 3.21Å; P60-F277 HydrophobicContact CG-CE2 4.05Å; P60-F277 HydrophobicContact CG-CZ 4.2Å
61L92.4Very high94.8Very high138 Ų13861.8 Ų61.872%0.72332%0.323SS*.  trans-62.4154.4172.1-63.2174.2000110.5S63 F64L61-S63 PolarHBondContact O-N 3.3Å; L61-F64 WeakPolarHBondContact O-CB 3.46Å; L61-F64 PolarHBondContact O-N 3.45Å
62D89.6Confident94.5Very high118 Ų11862 Ų6263%0.63132%0.317SS*.THydrogen-bonded Turntrans-63.6-15-177.5-54.3-15.4000112.8K52 F64K52-D62 IonicContact NZ-OD1 2.67Å; K52-D62 PolarHBondContact NZ-OD1 3.04Å; K52-D62 VanDerWaalsContact NZ-OD1 3.11Å; D62-F64 VanDerWaalsContact C-N 3.26Å; D62-F64 PolarHBondContact O-N 3.29Å
63S92.5Very high94.3Very high99 Ų9959.3 Ų59.369%0.69231%0.306SS*.THydrogen-bonded Turntrans-77.6-3.517265.50000114.4L61 S65L61-S63 PolarHBondContact O-N 3.3Å; S63-S65 PolarHBondContact O-N 3.48Å
64F94.9Very high94.1Very high12 Ų1258.2 Ų58.25%0.05330%0.3CS..  trans-67.3120.4-179.1-174.5-85.8000110.8P60 L61 D62 D68 L69 F72 L123 M193 W194 L275 F277P60-F64 HydrophobicContact CB-CB 3.62Å; P60-F64 HydrophobicContact CB-CD1 4.44Å; P60-F64 HydrophobicContact CB-CD2 3.45Å; P60-F64 VanDerWaalsContact CB-CD2 3.45Å; P60-F64 HydrophobicContact CB-CE2 4.18Å; P60-F64 HydrophobicContact CB-CG 3.6Å; P60-F64 HydrophobicContact CG-CD1 4.48Å; P60-F64 HydrophobicContact CG-CD2 3.77Å; P60-F64 HydrophobicContact CG-CE2 3.99Å; P60-F64 HydrophobicContact CG-CG 4.02Å; P60-F64 HydrophobicContact CG-CZ 4.48Å; L61-F64 WeakPolarHBondContact O-CB 3.46Å; L61-F64 PolarHBondContact O-N 3.45Å; D62-F64 VanDerWaalsContact C-N 3.26Å; D62-F64 PolarHBondContact O-N 3.29Å; F64-D68 HydrophobicContact CD2-CB 3.81Å; F64-D68 HydrophobicContact CE1-CB 4.42Å; F64-D68 HydrophobicContact CE2-CB 3.65Å; F64-D68 HydrophobicContact CG-CB 4.3Å; F64-D68 HydrophobicContact CZ-CB 3.96Å; F64-L69 HydrophobicContact CE1-CD2 3.77Å; F64-L69 HydrophobicContact CE1-CG 4.16Å; F64-L69 HydrophobicContact CZ-CD2 3.89Å; F64-L69 HydrophobicContact CZ-CG 4.37Å; F64-F72 HydrophobicContact CD2-CE2 4.25Å; F64-F72 AromaticContact CE2-CD2 3.62Å; F64-F72 HydrophobicContact CE2-CD2 3.62Å; F64-F72 AromaticContact CE2-CE2 3.52Å; F64-F72 HydrophobicContact CE2-CE2 3.52Å; F64-F72 HydrophobicContact CE2-CZ 4.44Å; F64-F72 HydrophobicContact CZ-CD2 4.17Å; F64-F72 HydrophobicContact CZ-CE2 4.47Å; F64-L123 HydrophobicContact CE2-CD1 4.24Å; F64-L123 HydrophobicContact CZ-CD1 4.07Å; F64-M193 HydrophobicContact CB-CE 4.42Å; F64-W194 PolarHBondContact O-NE1 3.16Å; F64-L275 HydrophobicContact CD1-CD1 4.27Å; F64-L275 HydrophobicContact CE1-CD1 4.11Å; F64-F277 HydrophobicContact CE1-CZ 4.4Å
65S94.6Very high94Very high31 Ų3158.8 Ų58.822%0.21730%0.297CS..  trans-105.8169.2-176.971.30000112.2S63 T67 D68S63-S65 PolarHBondContact O-N 3.48Å; S65-T67 PolarHBondContact O-N 3.27Å; S65-T67 PolarHBondContact OG-N 2.77Å; S65-T67 PolarHBondContact OG-OG1 3.42Å; S65-D68 WeakPolarHBondContact CB-OD2 3.36Å; S65-D68 PolarHBondContact N-OD2 3.11Å; S65-D68 WeakPolarHBondContact O-CB 3.48Å; S65-D68 PolarHBondContact O-N 3.42Å; S65-D68 PolarHBondContact OG-N 3.22Å; S65-D68 PolarHBondContact OG-OD2 3.19Å
66H94.2Very high93.9Very high33 Ų3362.1 Ų62.115%0.15332%0.321CS..G310 helixtrans-59.8-29.5171.662.5-72.4000112.3D68 L69 V98 F101 S102 L170 W194H66-D68 VanDerWaalsContact C-N 3.25Å; H66-D68 PolarHBondContact O-N 3.5Å; H66-L69 WeakPolarHBondContact O-CB 3.44Å; H66-L69 WeakPolarHBondContact O-CG 3.22Å; H66-L69 PolarHBondContact O-N 3.18Å; H66-V98 WeakPolarHBondContact O-CG2 3.43Å; H66-F101 HydrophobicContact CB-CD1 4.15Å; H66-F101 HydrophobicContact CB-CE1 4.4Å; H66-F101 AromaticContact CD2-CD1 3.54Å; H66-F101 AromaticContact CE1-CD1 3.9Å; H66-F101 AromaticContact CG-CD1 3.54Å; H66-F101 AromaticContact ND1-CD1 3.8Å; H66-F101 AromaticContact ND1-CE1 3.99Å; H66-F101 AromaticContact NE2-CD1 3.77Å; H66-S102 PolarHBondContact NE2-OG 3.07Å; H66-L170 HydrophobicContact CB-CD1 3.82Å; H66-L170 HydrophobicContact CB-CD2 3.95Å; H66-W194 HydrophobicContact CB-CH2 4.48Å; H66-W194 HydrophobicContact CB-CZ2 4.32Å
67T95.5Very high93.7Very high54 Ų5457.1 Ų57.133%0.33131%0.306SS..G310 helixtrans-70.8-20.3175.8690000113.4S65 L69 T70 V98S65-T67 PolarHBondContact O-N 3.27Å; S65-T67 PolarHBondContact OG-N 2.77Å; S65-T67 PolarHBondContact OG-OG1 3.42Å; T67-L69 VanDerWaalsContact C-N 3.3Å; T67-T70 PolarHBondContact O-OG1 3.23Å; T67-T70 VanDerWaalsContact O-OG1 3.08Å; T67-V98 HydrophobicContact CG2-CG1 4.27Å
68D94.7Very high93.7Very high22 Ų2261.7 Ų61.712%0.11833%0.327CS..G310 helixtrans-75.9-22.1175.8-63.5-65.9000111.4F64 S65 H66 T70 R71 F72F64-D68 HydrophobicContact CD2-CB 3.81Å; F64-D68 HydrophobicContact CE1-CB 4.42Å; F64-D68 HydrophobicContact CE2-CB 3.65Å; F64-D68 HydrophobicContact CG-CB 4.3Å; F64-D68 HydrophobicContact CZ-CB 3.96Å; S65-D68 WeakPolarHBondContact CB-OD2 3.36Å; S65-D68 PolarHBondContact N-OD2 3.11Å; S65-D68 WeakPolarHBondContact O-CB 3.48Å; S65-D68 PolarHBondContact O-N 3.42Å; S65-D68 PolarHBondContact OG-N 3.22Å; S65-D68 PolarHBondContact OG-OD2 3.19Å; H66-D68 VanDerWaalsContact C-N 3.25Å; H66-D68 PolarHBondContact O-N 3.5Å; D68-T70 VanDerWaalsContact C-N 3.28Å; D68-T70 PolarHBondContact O-N 3.39Å; D68-R71 WeakPolarHBondContact O-CA 3.37Å; D68-R71 VanDerWaalsContact O-CB 3.29Å; D68-R71 WeakPolarHBondContact O-CB 3.33Å; D68-R71 PolarHBondContact O-N 3.32Å; D68-R71 IonicContact OD1-CZ 3.17Å; D68-R71 VanDerWaalsContact OD1-CZ 3.27Å; D68-R71 IonicContact OD1-NE 3.39Å; D68-R71 IonicContact OD1-NH1 3Å; D68-R71 PolarHBondContact OD1-NH1 2.97Å; D68-R71 IonicContact OD1-NH2 2.71Å; D68-F72 HydrophobicContact CB-CE2 4.39Å; D68-F72 VanDerWaalsContact O-CD2 3.23Å; D68-F72 WeakPolarHBondContact O-CD2 3.41Å; D68-F72 PolarHBondContact O-N 3.13Å
69L93.3Very high93.5Very high0 Ų056.1 Ų56.10%030%0.303CS..Hα-helixtrans-54.3-43.7179.5-68.8170.7000112.3F64 H66 T67 R71 F72 I73 L94 L123 C168 L170 L275F64-L69 HydrophobicContact CE1-CD2 3.77Å; F64-L69 HydrophobicContact CE1-CG 4.16Å; F64-L69 HydrophobicContact CZ-CD2 3.89Å; F64-L69 HydrophobicContact CZ-CG 4.37Å; H66-L69 WeakPolarHBondContact O-CB 3.44Å; H66-L69 WeakPolarHBondContact O-CG 3.22Å; H66-L69 PolarHBondContact O-N 3.18Å; T67-L69 VanDerWaalsContact C-N 3.3Å; L69-R71 PolarHBondContact O-N 3.35Å; L69-F72 PolarHBondContact O-N 3.03Å; L69-F72 VanDerWaalsContact O-N 3.08Å; L69-I73 PolarHBondContact O-N 3.16Å; L69-L94 HydrophobicContact CB-CD2 4.41Å; L69-L123 HydrophobicContact CD2-CD2 4.29Å; L69-C168 VanDerWaalsContact CD2-SG 3.56Å; L69-L170 HydrophobicContact CD1-CD2 4.2Å; L69-L275 HydrophobicContact CD1-CD1 4.21Å; L69-L275 HydrophobicContact CD2-CD1 4.46Å; L69-L275 HydrophobicContact CG-CD1 4.45Å
70T93.6Very high93.3Very high26 Ų2656.8 Ų56.816%0.1631%0.306CS..Hα-helixtrans-70.4-10.5179.254.50000113.6T67 D68 I73 P75 L94 V98T67-T70 PolarHBondContact O-OG1 3.23Å; T67-T70 VanDerWaalsContact O-OG1 3.08Å; D68-T70 VanDerWaalsContact C-N 3.28Å; D68-T70 PolarHBondContact O-N 3.39Å; T70-I73 CarbonylContact C-O 3.57Å; T70-I73 WeakPolarHBondContact CA-O 3.25Å; T70-P75 HydrophobicContact CG2-CB 4.32Å; T70-L94 HydrophobicContact CG2-CD2 4.23Å; T70-L94 HydrophobicContact CG2-CG 4.03Å; T70-V98 HydrophobicContact CG2-CB 4.31Å; T70-V98 HydrophobicContact CG2-CG2 3.93Å
71R92.5Very high93.3Very high177 Ų17756.1 Ų56.167%0.66830%0.301SS*.Hα-helixtrans-84.2-27.3170.7-57.5-177.7-179.4155.19.2112.4D68 L69D68-R71 WeakPolarHBondContact O-CA 3.37Å; D68-R71 VanDerWaalsContact O-CB 3.29Å; D68-R71 WeakPolarHBondContact O-CB 3.33Å; D68-R71 PolarHBondContact O-N 3.32Å; D68-R71 IonicContact OD1-CZ 3.17Å; D68-R71 VanDerWaalsContact OD1-CZ 3.27Å; D68-R71 IonicContact OD1-NE 3.39Å; D68-R71 IonicContact OD1-NH1 3Å; D68-R71 PolarHBondContact OD1-NH1 2.97Å; D68-R71 IonicContact OD1-NH2 2.71Å; L69-R71 PolarHBondContact O-N 3.35Å
72F91.6Very high93.2Very high54 Ų5450.2 Ų50.224%0.23727%0.27CS..Hα-helixtrans-100.5-32.2-177.4-66.7-87.1000113F64 D68 L69 S121 S122 L123 F126F64-F72 HydrophobicContact CD2-CE2 4.25Å; F64-F72 AromaticContact CE2-CD2 3.62Å; F64-F72 HydrophobicContact CE2-CD2 3.62Å; F64-F72 AromaticContact CE2-CE2 3.52Å; F64-F72 HydrophobicContact CE2-CE2 3.52Å; F64-F72 HydrophobicContact CE2-CZ 4.44Å; F64-F72 HydrophobicContact CZ-CD2 4.17Å; F64-F72 HydrophobicContact CZ-CE2 4.47Å; D68-F72 HydrophobicContact CB-CE2 4.39Å; D68-F72 VanDerWaalsContact O-CD2 3.23Å; D68-F72 WeakPolarHBondContact O-CD2 3.41Å; D68-F72 PolarHBondContact O-N 3.13Å; L69-F72 PolarHBondContact O-N 3.03Å; L69-F72 VanDerWaalsContact O-N 3.08Å; F72-S121 WeakPolarHBondContact O-CA 3.45Å; F72-S121 WeakPolarHBondContact O-CB 3.39Å; F72-S122 VanDerWaalsContact CA-OG 3.31Å; F72-S122 WeakPolarHBondContact CA-OG 3.31Å; F72-S122 VanDerWaalsContact CD1-OG 3.29Å; F72-S122 WeakPolarHBondContact CD1-OG 3.34Å; F72-S122 PolarHBondContact O-N 3.01Å; F72-S122 PolarHBondContact O-OG 3.04Å; F72-S122 VanDerWaalsContact O-OG 3.12Å; F72-L123 HydrophobicContact CB-CB 3.84Å; F72-L123 HydrophobicContact CB-CD1 4.3Å; F72-L123 HydrophobicContact CG-CD1 4.27Å; F72-F126 AromaticContact CD1-CD2 3.99Å; F72-F126 HydrophobicContact CD1-CD2 3.99Å; F72-F126 HydrophobicContact CD1-CE2 4.02Å; F72-F126 AromaticContact CE1-CD2 3.72Å; F72-F126 HydrophobicContact CE1-CD2 3.72Å; F72-F126 AromaticContact CE1-CE2 3.54Å; F72-F126 HydrophobicContact CE1-CE2 3.54Å; F72-F126 HydrophobicContact CE1-CZ 4.19Å
73I92Very high93.3Very high4 Ų445 Ų452%0.02124%0.243CC..SBendtrans-112.9140.7179.9-52.1176.8000108L69 T70 P75 T77 L94 L115 F117 L123L69-I73 PolarHBondContact O-N 3.16Å; T70-I73 CarbonylContact C-O 3.57Å; T70-I73 WeakPolarHBondContact CA-O 3.25Å; I73-P75 WeakPolarHBondContact O-CD 3.43Å; I73-T77 HydrophobicContact CG2-CG2 4.45Å; I73-L94 HydrophobicContact CB-CD2 3.6Å; I73-L94 HydrophobicContact CD1-CD2 4.36Å; I73-L94 HydrophobicContact CG2-CD2 3.68Å; I73-L115 HydrophobicContact CD1-CD2 3.75Å; I73-L115 HydrophobicContact CD1-CG 4.42Å; I73-F117 HydrophobicContact CD1-CB 4.45Å; I73-L123 HydrophobicContact CD1-CD2 3.94Å; I73-L123 HydrophobicContact CG1-CD2 4.31Å
74D92.5Very high93.1Very high96 Ų9640.3 Ų40.351%0.51321%0.21SC..  trans-54.8122.1177.8-176.1-24.2000110S76 T77D74-S76 PolarHBondContact O-N 2.97Å; D74-S76 VanDerWaalsContact O-N 3.09Å; D74-S76 WeakPolarHBondContact OD1-CB 3.19Å; D74-S76 PolarHBondContact OD1-N 3.5Å; D74-S76 PolarHBondContact OD1-OG 3.2Å; D74-S76 PolarHBondContact OD2-OG 3.15Å; D74-T77 WeakPolarHBondContact O-CB 3.38Å; D74-T77 PolarHBondContact O-N 3.02Å; D74-T77 PolarHBondContact O-OG1 3.46Å
75P94.5Very high92.7Very high50 Ų5046 Ų4633%0.32523%0.231SC..THydrogen-bonded Turntrans-56.7-25.4-179.8-21.930000114.2T70 I73 T77 L94 Q95T70-P75 HydrophobicContact CG2-CB 4.32Å; I73-P75 WeakPolarHBondContact O-CD 3.43Å; P75-T77 VanDerWaalsContact C-N 3.31Å; P75-L94 PolarHBondContact O-N 3.42Å; P75-Q95 HydrophobicContact CB-CB 3.99Å; P75-Q95 PolarHBondContact O-N 3.29Å
76S95.1Very high92.1Very high74 Ų7449.9 Ų49.952%0.51725%0.246SC..THydrogen-bonded Turntrans-82.3-5.1178.570.10000114.3D74 Q78D74-S76 PolarHBondContact O-N 2.97Å; D74-S76 VanDerWaalsContact O-N 3.09Å; D74-S76 WeakPolarHBondContact OD1-CB 3.19Å; D74-S76 PolarHBondContact OD1-N 3.5Å; D74-S76 PolarHBondContact OD1-OG 3.2Å; D74-S76 PolarHBondContact OD2-OG 3.15Å; S76-Q78 PolarHBondContact O-N 3.05Å
77T93.4Very high91.3Very high38 Ų3849 Ų4923%0.23324%0.242CC..  trans-56.1125.1177.2-55.90000109.9I73 D74 P75 V79 T93 L94I73-T77 HydrophobicContact CG2-CG2 4.45Å; D74-T77 WeakPolarHBondContact O-CB 3.38Å; D74-T77 PolarHBondContact O-N 3.02Å; D74-T77 PolarHBondContact O-OG1 3.46Å; P75-T77 VanDerWaalsContact C-N 3.31Å; T77-V79 HydrophobicContact CG2-CG1 4.34Å; T77-T93 CarbonylContact O-C 3.5Å; T77-T93 WeakPolarHBondContact O-CA 3.48Å; T77-L94 PolarHBondContact O-N 3.01Å
78Q95Very high90.6Very high112 Ų11248.3 Ų48.352%0.52324%0.237SC..EExtended strand (participates in β ladder)trans-72.4131.2172.2-66.7-62.1-39.300109.6S76S76-Q78 PolarHBondContact O-N 3.05Å
79V93.1Very high90.2Very high4 Ų450 Ų502%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-126.3137.7-179.7-61.90000110.5T77 V81 M92 L94 L97 M112 L115T77-V79 HydrophobicContact CG2-CG1 4.34Å; V79-V81 HydrophobicContact CG2-CG2 3.81Å; V79-M92 HydrophobicContact CG2-CG 4.25Å; V79-M92 VanDerWaalsContact CG2-O 3.32Å; V79-M92 WeakPolarHBondContact CG2-O 3.34Å; V79-M92 PolarHBondContact N-O 3.37Å; V79-M92 PolarHBondContact O-N 2.86Å; V79-L94 HydrophobicContact CG1-CB 4.35Å; V79-L97 HydrophobicContact CG2-CD2 4.2Å; V79-M112 HydrophobicContact CB-SD 4.35Å; V79-M112 HydrophobicContact CG1-SD 4.47Å; V79-M112 HydrophobicContact CG2-SD 4.47Å; V79-L115 HydrophobicContact CG1-CD1 3.85Å; V79-L115 HydrophobicContact CG1-CD2 4.34Å
80D91.6Very high90.1Very high36 Ų3652.9 Ų52.919%0.19326%0.259CS..EExtended strand (participates in β ladder)trans-79122.2171.7-65.2-47.7000109.6E89 Q91D80-E89 HydrophobicContact CB-CG 4.19Å; D80-E89 WeakPolarHBondContact CB-OE1 3.21Å; D80-Q91 WeakPolarHBondContact OD1-CG 3.38Å; D80-Q91 PolarHBondContact OD1-NE2 3.07Å
81V93Very high90.1Very high0 Ų057.4 Ų57.40%028%0.278CS..EExtended strand (participates in β ladder)trans-127.2141-176.5-174.70000109.2V79 E89 I90 M92 L97 L110 M112V79-V81 HydrophobicContact CG2-CG2 3.81Å; V81-E89 CarbonylContact O-C 3.58Å; V81-E89 WeakPolarHBondContact O-CA 3.4Å; V81-I90 HydrophobicContact CB-CG1 4.24Å; V81-I90 PolarHBondContact N-O 3.1Å; V81-I90 WeakPolarHBondContact O-CG1 3.3Å; V81-I90 PolarHBondContact O-N 3.03Å; V81-I90 VanDerWaalsContact O-O 3.07Å; V81-M92 HydrophobicContact CB-CE 4.22Å; V81-M92 HydrophobicContact CG1-CE 4.33Å; V81-M92 HydrophobicContact CG2-CE 4.37Å; V81-M92 HydrophobicContact CG2-CG 3.85Å; V81-M92 HydrophobicContact CG2-SD 4.07Å; V81-L97 HydrophobicContact CG1-CD1 4.18Å; V81-L97 HydrophobicContact CG2-CD1 4.25Å; V81-L97 HydrophobicContact CG2-CD2 4.2Å; V81-L110 HydrophobicContact CG1-CB 3.77Å; V81-L110 HydrophobicContact CG1-CD2 3.88Å; V81-L110 HydrophobicContact CG1-CG 4.27Å; V81-M112 HydrophobicContact CG2-CB 4.32Å
82I90.3Very high90.3Very high14 Ų1449.7 Ų49.77%0.07225%0.25CS..EExtended strand (participates in β ladder)trans-95.6123.4176.4-57.5170.9000108.8V84 V88 L110 N111 L113I82-V84 PolarHBondContact O-N 2.81Å; I82-V88 WeakPolarHBondContact CA-O 3.33Å; I82-L110 WeakPolarHBondContact O-CA 3.49Å; I82-N111 HydrophobicContact CB-CB 4.46Å; I82-N111 PolarHBondContact N-O 2.9Å; I82-N111 PolarHBondContact O-N 2.86Å; I82-L113 HydrophobicContact CD1-CD1 3.8Å; I82-L113 HydrophobicContact CD1-CG 4.45Å
83D91.4Very high90.6Very high9 Ų948.5 Ų48.55%0.04825%0.247CC..EExtended strand (participates in β ladder)trans-73.6105.4156.9179.1-26.3000107.2R85 Q86 Q87 V88 V108D83-R85 VanDerWaalsContact C-N 3.32Å; D83-R85 PolarHBondContact O-N 3.36Å; D83-R85 PolarHBondContact OD1-N 2.94Å; D83-Q86 HydrophobicContact CB-CB 4.17Å; D83-Q86 CarbonylContact O-C 3.59Å; D83-Q86 PolarHBondContact O-N 3.02Å; D83-Q86 PolarHBondContact OD1-N 3.31Å; D83-Q86 VanDerWaalsContact OD1-N 3.13Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.44Å; D83-Q86 PolarHBondContact OD2-NE2 3.11Å; D83-Q87 WeakPolarHBondContact O-CA 3.47Å; D83-Q87 PolarHBondContact O-N 3.04Å; D83-V88 HydrophobicContact CB-CG2 4.07Å; D83-V88 PolarHBondContact N-O 3.26Å; D83-V88 PolarHBondContact O-N 3.42Å; D83-V108 HydrophobicContact CB-CG1 4.12Å; D83-V108 WeakPolarHBondContact OD2-CG1 3.47Å
84V89.2Confident90.7Very high0 Ų048.3 Ų48.30%025%0.246CC..THydrogen-bonded Turntrans-63-38.5-171.6173.30000111.9I82 Q87 L109 N111I82-V84 PolarHBondContact O-N 2.81Å; V84-Q87 PolarHBondContact O-N 3.45Å; V84-Q87 PolarHBondContact O-NE2 3.33Å; V84-L109 HydrophobicContact CB-CB 4.31Å; V84-L109 HydrophobicContact CB-CD2 3.77Å; V84-L109 HydrophobicContact CB-CG 3.87Å; V84-L109 HydrophobicContact CG1-CD2 3.77Å; V84-L109 HydrophobicContact CG1-CG 4.38Å; V84-L109 HydrophobicContact CG2-CD2 4.37Å; V84-L109 HydrophobicContact CG2-CG 4.1Å; V84-L109 WeakPolarHBondContact CG2-O 3.25Å; V84-L109 PolarHBondContact N-O 2.95Å; V84-N111 HydrophobicContact CG2-CB 3.6Å
85R85.4Confident90.9Very high132 Ų13246.9 Ų46.950%0.49824%0.237SC..THydrogen-bonded Turntrans-72.3-37.6-176.6-68.5-180178.61691.5110.7D83 L109 R222D83-R85 VanDerWaalsContact C-N 3.32Å; D83-R85 PolarHBondContact O-N 3.36Å; D83-R85 PolarHBondContact OD1-N 2.94Å; R85-L109 HydrophobicContact CG-CB 4.36Å; R85-L109 HydrophobicContact CG-CD2 4.48Å; R85-R222 PolarHBondContact O-NH2 3.22Å; R85-R222 VanDerWaalsContact O-NH2 3.09Å
86Q82.1Confident91Very high113 Ų11349 Ų4953%0.52824%0.242SC..THydrogen-bonded Turntrans-84.2-16.7178-65.3-17156.800113.1D83 V88 R222D83-Q86 HydrophobicContact CB-CB 4.17Å; D83-Q86 CarbonylContact O-C 3.59Å; D83-Q86 PolarHBondContact O-N 3.02Å; D83-Q86 PolarHBondContact OD1-N 3.31Å; D83-Q86 VanDerWaalsContact OD1-N 3.13Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.44Å; D83-Q86 PolarHBondContact OD2-NE2 3.11Å; Q86-V88 HydrophobicContact CB-CG1 4.3Å; Q86-V88 HydrophobicContact CB-CG2 3.7Å; Q86-V88 PolarHBondContact O-N 2.88Å; Q86-R222 PolarHBondContact O-NH1 3.18Å; Q86-R222 PolarHBondContact O-NH2 2.96Å
87Q77.1Confident91.1Very high14 Ų1445.5 Ų45.57%0.06522%0.218CC..THydrogen-bonded Turntrans51.536.6-170.8-68.5-71.5-61.700112.7S4 D83 V84 R465S4-Q87 VanDerWaalsContact O-CG 3.23Å; S4-Q87 WeakPolarHBondContact O-CG 3.4Å; D83-Q87 WeakPolarHBondContact O-CA 3.47Å; D83-Q87 PolarHBondContact O-N 3.04Å; V84-Q87 PolarHBondContact O-N 3.45Å; V84-Q87 PolarHBondContact O-NE2 3.33Å; Q87-R465 PolarHBondContact O-NH1 3.44Å
88V82Confident91.3Very high39 Ų3943.9 Ų43.924%0.23621%0.208CC..EExtended strand (participates in β ladder)trans-112.3145177-61.20000110.1I82 D83 Q86 I90I82-V88 WeakPolarHBondContact CA-O 3.33Å; D83-V88 HydrophobicContact CB-CG2 4.07Å; D83-V88 PolarHBondContact N-O 3.26Å; D83-V88 PolarHBondContact O-N 3.42Å; Q86-V88 HydrophobicContact CB-CG1 4.3Å; Q86-V88 HydrophobicContact CB-CG2 3.7Å; Q86-V88 PolarHBondContact O-N 2.88Å; V88-I90 HydrophobicContact CG2-CG2 4.19Å
89E85.4Confident91.3Very high57 Ų5742.9 Ų42.927%0.26621%0.206SC..EExtended strand (participates in β ladder)trans-84.5129.7171.1-171.9177.2-148.500108.2D80 V81 K305D80-E89 HydrophobicContact CB-CG 4.19Å; D80-E89 WeakPolarHBondContact CB-OE1 3.21Å; V81-E89 CarbonylContact O-C 3.58Å; V81-E89 WeakPolarHBondContact O-CA 3.4Å; E89-K305 IonicContact OE1-NZ 3.19Å; E89-K305 PolarHBondContact OE1-NZ 3.27Å; E89-K305 IonicContact OE2-NZ 2.86Å; E89-K305 PolarHBondContact OE2-NZ 3.06Å
90I92Very high91.4Very high61 Ų6147 Ų4731%0.31323%0.225SC..EExtended strand (participates in β ladder)trans-126.1149.6175.460174.4000108.4V81 V88 M92 L110V81-I90 HydrophobicContact CB-CG1 4.24Å; V81-I90 PolarHBondContact N-O 3.1Å; V81-I90 WeakPolarHBondContact O-CG1 3.3Å; V81-I90 PolarHBondContact O-N 3.03Å; V81-I90 VanDerWaalsContact O-O 3.07Å; V88-I90 HydrophobicContact CG2-CG2 4.19Å; I90-M92 HydrophobicContact CD1-CE 3.39Å; I90-M92 HydrophobicContact CG1-CE 3.94Å; I90-L110 HydrophobicContact CD1-CD2 3.85Å
91Q93.9Very high91.6Very high121 Ų12145.5 Ų45.557%0.56522%0.217SC*.EExtended strand (participates in β ladder)trans-102.3140.6172.5-73.5-175.9-17.800110D80D80-Q91 WeakPolarHBondContact OD1-CG 3.38Å; D80-Q91 PolarHBondContact OD1-NE2 3.07Å
92M95.5Very high91.6Very high16 Ų1648.5 Ų48.58%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-151.5165.6171.762.9-175.566.800109.3V79 V81 I90 E96 L97 L110V79-M92 HydrophobicContact CG2-CG 4.25Å; V79-M92 VanDerWaalsContact CG2-O 3.32Å; V79-M92 WeakPolarHBondContact CG2-O 3.34Å; V79-M92 PolarHBondContact N-O 3.37Å; V79-M92 PolarHBondContact O-N 2.86Å; V81-M92 HydrophobicContact CB-CE 4.22Å; V81-M92 HydrophobicContact CG1-CE 4.33Å; V81-M92 HydrophobicContact CG2-CE 4.37Å; V81-M92 HydrophobicContact CG2-CG 3.85Å; V81-M92 HydrophobicContact CG2-SD 4.07Å; I90-M92 HydrophobicContact CD1-CE 3.39Å; I90-M92 HydrophobicContact CG1-CE 3.94Å; M92-E96 HydrophobicContact CB-CB 4.21Å; M92-L97 HydrophobicContact CG-CB 4.28Å; M92-L97 HydrophobicContact SD-CB 3.82Å; M92-L97 HydrophobicContact SD-CD1 4.13Å; M92-L110 HydrophobicContact CE-CD1 3.86Å; M92-L110 HydrophobicContact CE-CD2 4.03Å; M92-L110 HydrophobicContact SD-CD1 4.04Å
93T97.2Very high91.8Very high28 Ų2849.8 Ų49.817%0.17225%0.248CC..EExtended strand (participates in β ladder)trans-69.6152.8170.561.70000111T77 Q95 E96 L97T77-T93 CarbonylContact O-C 3.5Å; T77-T93 WeakPolarHBondContact O-CA 3.48Å; T93-Q95 PolarHBondContact O-N 3.03Å; T93-E96 PolarHBondContact N-OE2 3.39Å; T93-E96 PolarHBondContact O-N 3.34Å; T93-E96 WeakPolarHBondContact OG1-CB 3.44Å; T93-E96 WeakPolarHBondContact OG1-CG 3.37Å; T93-E96 PolarHBondContact OG1-N 3.02Å; T93-E96 VanDerWaalsContact OG1-N 3.11Å; T93-E96 PolarHBondContact OG1-OE2 2.66Å; T93-L97 PolarHBondContact O-N 2.89Å
94L95.9Very high91.7Very high0 Ų055.7 Ų55.70%029%0.287CS..Hα-helixtrans-56.9-36.7172.6179.762.2000111.6L69 T70 I73 P75 T77 V79 L97 V98 L115L69-L94 HydrophobicContact CB-CD2 4.41Å; T70-L94 HydrophobicContact CG2-CD2 4.23Å; T70-L94 HydrophobicContact CG2-CG 4.03Å; I73-L94 HydrophobicContact CB-CD2 3.6Å; I73-L94 HydrophobicContact CD1-CD2 4.36Å; I73-L94 HydrophobicContact CG2-CD2 3.68Å; P75-L94 PolarHBondContact O-N 3.42Å; T77-L94 PolarHBondContact O-N 3.01Å; V79-L94 HydrophobicContact CG1-CB 4.35Å; L94-L97 PolarHBondContact O-N 3.36Å; L94-V98 HydrophobicContact CD1-CG2 4.46Å; L94-V98 WeakPolarHBondContact O-CG2 3.45Å; L94-V98 PolarHBondContact O-N 3.3Å; L94-L115 HydrophobicContact CD1-CD2 4.29Å
95Q96.9Very high91.7Very high66 Ų6665.9 Ų65.931%0.30833%0.325SS..Hα-helixtrans-61.9-48.1175.7-171.658.358.700112P75 T93 L97 V98 D99P75-Q95 HydrophobicContact CB-CB 3.99Å; P75-Q95 PolarHBondContact O-N 3.29Å; T93-Q95 PolarHBondContact O-N 3.03Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.19Å; Q95-V98 PolarHBondContact O-N 3.45Å; Q95-D99 PolarHBondContact NE2-OD1 2.99Å; Q95-D99 PolarHBondContact O-N 2.92Å
96E96.5Very high91.9Very high95 Ų9564 Ų6444%0.44432%0.318SS..Hα-helixtrans-59.1-41.9176.9-75.5162.5151.600111.6M92 T93 V98 D99 H100M92-E96 HydrophobicContact CB-CB 4.21Å; T93-E96 PolarHBondContact N-OE2 3.39Å; T93-E96 PolarHBondContact O-N 3.34Å; T93-E96 WeakPolarHBondContact OG1-CB 3.44Å; T93-E96 WeakPolarHBondContact OG1-CG 3.37Å; T93-E96 PolarHBondContact OG1-N 3.02Å; T93-E96 VanDerWaalsContact OG1-N 3.11Å; T93-E96 PolarHBondContact OG1-OE2 2.66Å; E96-V98 PolarHBondContact O-N 3.22Å; E96-D99 PolarHBondContact O-N 3.16Å; E96-H100 WeakPolarHBondContact O-CB 3.39Å; E96-H100 PolarHBondContact O-CD2 3.14Å; E96-H100 PolarHBondContact O-N 3.11Å
97L96.5Very high92.1Very high1 Ų167.1 Ų67.11%0.00533%0.333CS..Hα-helixtrans-60.5-46.4175.7177.262.7000111.6V79 V81 M92 T93 L94 Q95 D99 H100 F101 L110 M112 L170V79-L97 HydrophobicContact CG2-CD2 4.2Å; V81-L97 HydrophobicContact CG1-CD1 4.18Å; V81-L97 HydrophobicContact CG2-CD1 4.25Å; V81-L97 HydrophobicContact CG2-CD2 4.2Å; M92-L97 HydrophobicContact CG-CB 4.28Å; M92-L97 HydrophobicContact SD-CB 3.82Å; M92-L97 HydrophobicContact SD-CD1 4.13Å; T93-L97 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.36Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.19Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.29Å; L97-H100 PolarHBondContact O-N 3.42Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-F101 PolarHBondContact O-N 3.37Å; L97-L110 HydrophobicContact CD1-CB 4.22Å; L97-L110 HydrophobicContact CD1-CD1 4.06Å; L97-M112 HydrophobicContact CD2-CB 3.7Å; L97-M112 HydrophobicContact CD2-CE 4.42Å; L97-M112 HydrophobicContact CD2-CG 4.02Å; L97-M112 HydrophobicContact CD2-SD 3.42Å; L97-M112 WeakPolarHBondContact CD2-SD 3.3Å; L97-L170 HydrophobicContact CD2-CD2 4.23Å; L97-L170 HydrophobicContact CG-CD2 4.29Å
98V96.5Very high92.8Very high4 Ų468.8 Ų68.82%0.02434%0.343CS..Hα-helixtrans-64.2-38.2178.7166.20000111.5H66 T67 T70 L94 Q95 E96 F101 S102H66-V98 WeakPolarHBondContact O-CG2 3.43Å; T67-V98 HydrophobicContact CG2-CG1 4.27Å; T70-V98 HydrophobicContact CG2-CB 4.31Å; T70-V98 HydrophobicContact CG2-CG2 3.93Å; L94-V98 HydrophobicContact CD1-CG2 4.46Å; L94-V98 WeakPolarHBondContact O-CG2 3.45Å; L94-V98 PolarHBondContact O-N 3.3Å; Q95-V98 PolarHBondContact O-N 3.45Å; E96-V98 PolarHBondContact O-N 3.22Å; V98-F101 PolarHBondContact O-N 3.13Å; V98-S102 WeakPolarHBondContact O-CB 3.2Å; V98-S102 PolarHBondContact O-N 3Å; V98-S102 PolarHBondContact O-OG 3.13Å
99D95.8Very high93.3Very high90 Ų9068 Ų6848%0.48134%0.338SS..Hα-helixtrans-66.3-45.2176.6-66.9-17.6000111Q95 E96 L97 F101 S102 S103Q95-D99 PolarHBondContact NE2-OD1 2.99Å; Q95-D99 PolarHBondContact O-N 2.92Å; E96-D99 PolarHBondContact O-N 3.16Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.29Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.42Å; D99-S102 PolarHBondContact O-N 2.76Å; D99-S103 PolarHBondContact O-N 2.86Å
100H95.2Very high93.8Very high90 Ų9065.4 Ų65.442%0.41733%0.326SS..Hα-helixtrans-60.9-41.2173.1-81.3-60.7000112.3E96 L97 S103 L110 M172E96-H100 WeakPolarHBondContact O-CB 3.39Å; E96-H100 PolarHBondContact O-CD2 3.14Å; E96-H100 PolarHBondContact O-N 3.11Å; L97-H100 PolarHBondContact O-N 3.42Å; H100-S103 PolarHBondContact O-N 3.13Å; H100-L110 HydrophobicContact CB-CD1 3.79Å; H100-M172 HydrophobicContact CB-CE 4.2Å
101F95.1Very high94Very high6 Ų662.5 Ų62.53%0.02631%0.311CS..Hα-helixtrans-65.6-38.6177.9-157-84.5000112.1H66 L97 V98 D99 S103 R106 L170 M172 W194 D273H66-F101 HydrophobicContact CB-CD1 4.15Å; H66-F101 HydrophobicContact CB-CE1 4.4Å; H66-F101 AromaticContact CD2-CD1 3.54Å; H66-F101 AromaticContact CE1-CD1 3.9Å; H66-F101 AromaticContact CG-CD1 3.54Å; H66-F101 AromaticContact ND1-CD1 3.8Å; H66-F101 AromaticContact ND1-CE1 3.99Å; H66-F101 AromaticContact NE2-CD1 3.77Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-F101 PolarHBondContact O-N 3.37Å; V98-F101 PolarHBondContact O-N 3.13Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.42Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-R106 PolarHBondContact O-NE 3.48Å; F101-R106 VanDerWaalsContact O-NE 3.11Å; F101-R106 PolarHBondContact O-NH2 2.75Å; F101-L170 HydrophobicContact CB-CD2 4.49Å; F101-L170 HydrophobicContact CD2-CD1 3.97Å; F101-L170 HydrophobicContact CD2-CD2 3.82Å; F101-L170 HydrophobicContact CD2-CG 3.71Å; F101-L170 HydrophobicContact CE1-CD1 4.12Å; F101-L170 HydrophobicContact CE2-CD1 3.5Å; F101-L170 VanDerWaalsContact CE2-CD1 3.5Å; F101-L170 HydrophobicContact CE2-CD2 4.2Å; F101-L170 HydrophobicContact CE2-CG 3.59Å; F101-L170 HydrophobicContact CG-CD1 4.45Å; F101-L170 HydrophobicContact CG-CD2 4.14Å; F101-L170 HydrophobicContact CG-CG 4.42Å; F101-L170 HydrophobicContact CZ-CD1 3.56Å; F101-L170 HydrophobicContact CZ-CG 4.19Å; F101-M172 HydrophobicContact CB-CE 4.4Å; F101-M172 HydrophobicContact CD2-CE 4.25Å; F101-M172 HydrophobicContact CD2-CG 3.76Å; F101-M172 HydrophobicContact CE2-CG 3.81Å; F101-W194 AromaticContact CE1-CH2 3.95Å; F101-W194 HydrophobicContact CE1-CH2 3.95Å; F101-W194 HydrophobicContact CE1-CZ3 4.43Å; F101-W194 AromaticContact CZ-CH2 3.93Å; F101-W194 HydrophobicContact CZ-CH2 3.93Å; F101-W194 HydrophobicContact CZ-CZ3 4.22Å; F101-D273 HydrophobicContact CE1-CB 4.12Å; F101-D273 HydrophobicContact CZ-CB 3.71Å
102S94.6Very high94Very high62 Ų6256.8 Ų56.843%0.43428%0.284SS..Hα-helixtrans-76.9-17.6179.9-54.90000113.6H66 V98 D99H66-S102 PolarHBondContact NE2-OG 3.07Å; V98-S102 WeakPolarHBondContact O-CB 3.2Å; V98-S102 PolarHBondContact O-N 3Å; V98-S102 PolarHBondContact O-OG 3.13Å; D99-S102 PolarHBondContact O-N 2.76Å
103S94.2Very high93.9Very high41 Ų4156.5 Ų56.529%0.28728%0.283SS..  trans-62132.2-179.3177.90000111.9D99 H100 F101 R105D99-S103 PolarHBondContact O-N 2.86Å; H100-S103 PolarHBondContact O-N 3.13Å; F101-S103 VanDerWaalsContact C-N 3.33Å; S103-R105 PolarHBondContact O-N 2.86Å; S103-R105 PolarHBondContact OG-N 3.09Å; S103-R105 PolarHBondContact OG-O 3.32Å; S103-R105 VanDerWaalsContact OG-O 3.04Å
104P89.5Confident93.4Very high134 Ų13455.7 Ų55.787%0.8728%0.278SS*.SBendtrans-67.4-18.717428.2-35000112.6
105R88.8Confident93.2Very high214 Ų21456.3 Ų56.381%0.80828%0.282SS*.SBendtrans-124.592.8177.9-67.1-174.3-178.2-174.81.4109.7S103 Q107S103-R105 PolarHBondContact O-N 2.86Å; S103-R105 PolarHBondContact OG-N 3.09Å; S103-R105 PolarHBondContact OG-O 3.32Å; S103-R105 VanDerWaalsContact OG-O 3.04Å; R105-Q107 PolarHBondContact O-N 3.34Å
106R90.4Very high93Very high92 Ų9253.8 Ų53.835%0.34727%0.27SS..  trans-83.7107.1178.6-61172.1-1751620.9109.9F101 M172 D273F101-R106 PolarHBondContact O-NE 3.48Å; F101-R106 VanDerWaalsContact O-NE 3.11Å; F101-R106 PolarHBondContact O-NH2 2.75Å; R106-M172 HydrophobicContact CB-SD 4.44Å; R106-M172 HydrophobicContact CG-CE 4.22Å; R106-M172 HydrophobicContact CG-SD 4.39Å; R106-D273 IonicContact CZ-OD1 2.9Å; R106-D273 IonicContact CZ-OD2 2.73Å; R106-D273 IonicContact NH1-OD1 3.18Å; R106-D273 PolarHBondContact NH1-OD1 3.32Å; R106-D273 IonicContact NH1-OD2 3.64Å; R106-D273 PolarHBondContact NH1-OD2 3.08Å; R106-D273 IonicContact NH2-OD1 2.75Å; R106-D273 IonicContact NH2-OD2 3.81Å; R106-D273 PolarHBondContact NH2-OD2 2.84Å
107Q84.9Confident92.7Very high179 Ų17949.2 Ų49.284%0.83625%0.249SC*.SBendtrans-75.5-34.3179-65.7-174.8-8.400112.1R105R105-Q107 PolarHBondContact O-N 3.34Å
108V91.2Very high92.2Very high48 Ų4850.8 Ų50.829%0.29126%0.26SS..SBendtrans-114141.1179.7-172.50000108.9D83 L110D83-V108 HydrophobicContact CB-CG1 4.12Å; D83-V108 WeakPolarHBondContact OD2-CG1 3.47Å; V108-L110 HydrophobicContact CB-CD2 4.18Å; V108-L110 HydrophobicContact CB-CG 4.33Å; V108-L110 HydrophobicContact CG1-CD2 3.51Å; V108-L110 HydrophobicContact CG1-CG 4.11Å
109L93.6Very high91.3Very high22 Ų2255 Ų5512%0.11528%0.275CS..  trans-93.5100.5175.9-178.764.7000108.8V84 R85 M172 K173V84-L109 HydrophobicContact CB-CB 4.31Å; V84-L109 HydrophobicContact CB-CD2 3.77Å; V84-L109 HydrophobicContact CB-CG 3.87Å; V84-L109 HydrophobicContact CG1-CD2 3.77Å; V84-L109 HydrophobicContact CG1-CG 4.38Å; V84-L109 HydrophobicContact CG2-CD2 4.37Å; V84-L109 HydrophobicContact CG2-CG 4.1Å; V84-L109 WeakPolarHBondContact CG2-O 3.25Å; V84-L109 PolarHBondContact N-O 2.95Å; R85-L109 HydrophobicContact CG-CB 4.36Å; R85-L109 HydrophobicContact CG-CD2 4.48Å; L109-M172 HydrophobicContact CD1-CB 3.66Å; L109-K173 WeakPolarHBondContact CD1-O 3.33Å
110L95.6Very high89.8Confident4 Ų453.8 Ų53.82%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-99.9142-172.8-61.4178.3000112V81 I82 I90 M92 L97 H100 V108 M172V81-L110 HydrophobicContact CG1-CB 3.77Å; V81-L110 HydrophobicContact CG1-CD2 3.88Å; V81-L110 HydrophobicContact CG1-CG 4.27Å; I82-L110 WeakPolarHBondContact O-CA 3.49Å; I90-L110 HydrophobicContact CD1-CD2 3.85Å; M92-L110 HydrophobicContact CE-CD1 3.86Å; M92-L110 HydrophobicContact CE-CD2 4.03Å; M92-L110 HydrophobicContact SD-CD1 4.04Å; L97-L110 HydrophobicContact CD1-CB 4.22Å; L97-L110 HydrophobicContact CD1-CD1 4.06Å; H100-L110 HydrophobicContact CB-CD1 3.79Å; V108-L110 HydrophobicContact CB-CD2 4.18Å; V108-L110 HydrophobicContact CB-CG 4.33Å; V108-L110 HydrophobicContact CG1-CD2 3.51Å; V108-L110 HydrophobicContact CG1-CG 4.11Å; L110-M172 HydrophobicContact CB-CE 3.93Å; L110-M172 HydrophobicContact CB-SD 3.9Å; L110-M172 HydrophobicContact CD1-CE 4.12Å; L110-M172 HydrophobicContact CG-CE 4.21Å; L110-M172 HydrophobicContact CG-SD 4.41Å; L110-M172 PolarHBondContact N-SD 3.41Å; L110-M172 WeakPolarHBondContact O-CB 3.36Å; L110-M172 WeakPolarHBondContact O-CG 3.2Å; L110-M172 PolarHBondContact O-N 3.23Å
111N95.4Very high88.4Confident0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-140.4110.3177.7-172.919000110.3I82 V84 L113 S171 T177I82-N111 HydrophobicContact CB-CB 4.46Å; I82-N111 PolarHBondContact N-O 2.9Å; I82-N111 PolarHBondContact O-N 2.86Å; V84-N111 HydrophobicContact CG2-CB 3.6Å; N111-L113 VanDerWaalsContact OD1-CD2 3.24Å; N111-L113 WeakPolarHBondContact OD1-CD2 3.4Å; N111-S171 VanDerWaalsContact OD1-CB 3.3Å; N111-S171 WeakPolarHBondContact OD1-CB 3.46Å; N111-S171 PolarHBondContact OD1-OG 2.84Å; N111-T177 PolarHBondContact ND2-OG1 3.43Å
112M95.8Very high87.9Confident0 Ų053.2 Ų53.20%028%0.278CS..EExtended strand (participates in β ladder)trans-95.2118174.9-179.2-165.87300108.8V79 V81 L97 L115 C168 L169 L170V79-M112 HydrophobicContact CB-SD 4.35Å; V79-M112 HydrophobicContact CG1-SD 4.47Å; V79-M112 HydrophobicContact CG2-SD 4.47Å; V81-M112 HydrophobicContact CG2-CB 4.32Å; L97-M112 HydrophobicContact CD2-CB 3.7Å; L97-M112 HydrophobicContact CD2-CE 4.42Å; L97-M112 HydrophobicContact CD2-CG 4.02Å; L97-M112 HydrophobicContact CD2-SD 3.42Å; L97-M112 WeakPolarHBondContact CD2-SD 3.3Å; M112-L115 HydrophobicContact CE-CB 3.84Å; M112-L115 HydrophobicContact CE-CD2 3.75Å; M112-L115 HydrophobicContact CE-CG 4.44Å; M112-L115 HydrophobicContact CG-CB 4.15Å; M112-L115 HydrophobicContact SD-CB 3.62Å; M112-L115 HydrophobicContact SD-CD2 3.64Å; M112-L115 HydrophobicContact SD-CG 4.26Å; M112-C168 WeakPolarHBondContact CE-O 3.28Å; M112-L169 CarbonylContact O-C 3.51Å; M112-L169 VanDerWaalsContact O-CA 3.28Å; M112-L169 WeakPolarHBondContact O-CA 3.11Å; M112-L170 HydrophobicContact CB-CB 4.44Å; M112-L170 HydrophobicContact CE-CB 3.62Å; M112-L170 PolarHBondContact N-O 3.22Å; M112-L170 PolarHBondContact O-N 3.08Å
113L92.1Very high87.7Confident10 Ų1050.3 Ų50.35%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-115.9-23.3-177.7-59.6178.1000113.5I82 N111 L169 T177 L459I82-L113 HydrophobicContact CD1-CD1 3.8Å; I82-L113 HydrophobicContact CD1-CG 4.45Å; N111-L113 VanDerWaalsContact OD1-CD2 3.24Å; N111-L113 WeakPolarHBondContact OD1-CD2 3.4Å; L113-L169 HydrophobicContact CD2-CB 4.44Å; L113-L169 HydrophobicContact CD2-CD2 3.79Å; L113-L169 HydrophobicContact CD2-CG 4.27Å; L113-T177 HydrophobicContact CD1-CG2 4.05Å; L113-T177 WeakPolarHBondContact CD1-OG1 3.31Å; L113-L459 HydrophobicContact CB-CB 4.33Å; L113-L459 WeakPolarHBondContact O-CD1 3.43Å
114S87Confident87.4Confident11 Ų1149 Ų498%0.07725%0.25CC..EExtended strand (participates in β ladder)trans-111.315.3-163.5-51.30000114.3E116 L459S114-E116 PolarHBondContact O-N 3.27Å; S114-L459 PolarHBondContact OG-N 3.5Å
115L92.3Very high87.4Confident13 Ų1350.4 Ų50.47%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-73.391.9178.7176.956.9000110.6I73 V79 L94 M112 Y167 C168I73-L115 HydrophobicContact CD1-CD2 3.75Å; I73-L115 HydrophobicContact CD1-CG 4.42Å; V79-L115 HydrophobicContact CG1-CD1 3.85Å; V79-L115 HydrophobicContact CG1-CD2 4.34Å; L94-L115 HydrophobicContact CD1-CD2 4.29Å; M112-L115 HydrophobicContact CE-CB 3.84Å; M112-L115 HydrophobicContact CE-CD2 3.75Å; M112-L115 HydrophobicContact CE-CG 4.44Å; M112-L115 HydrophobicContact CG-CB 4.15Å; M112-L115 HydrophobicContact SD-CB 3.62Å; M112-L115 HydrophobicContact SD-CD2 3.64Å; M112-L115 HydrophobicContact SD-CG 4.26Å; L115-Y167 CarbonylContact O-C 3.43Å; L115-Y167 WeakPolarHBondContact O-CA 3.48Å; L115-C168 HydrophobicContact CD2-CB 4.38Å; L115-C168 PolarHBondContact O-N 3.26Å
116E91.7Very high87.4Confident13 Ų1345.1 Ų45.16%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-81.5128.5172.5-144.3-75.5155.700110.2S114 S118 T163 K166 Y167 I456S114-E116 PolarHBondContact O-N 3.27Å; E116-S118 WeakPolarHBondContact OE1-CB 3.41Å; E116-S118 PolarHBondContact OE1-OG 3.39Å; E116-S118 VanDerWaalsContact OE2-CB 3.31Å; E116-S118 WeakPolarHBondContact OE2-CB 3.48Å; E116-S118 PolarHBondContact OE2-N 3Å; E116-T163 WeakPolarHBondContact CG-O 3.45Å; E116-K166 WeakPolarHBondContact CA-O 3.35Å; E116-K166 PolarHBondContact OE1-N 3.4Å; E116-Y167 HydrophobicContact CB-CD1 3.85Å; E116-Y167 HydrophobicContact CB-CE1 3.54Å; E116-Y167 HydrophobicContact CG-CD1 3.96Å; E116-Y167 HydrophobicContact CG-CE1 3.57Å; E116-I456 HydrophobicContact CB-CG1 4.48Å; E116-I456 HydrophobicContact CB-CG2 4.4Å
117F91.1Very high87.6Confident0 Ų040.8 Ų40.80%021%0.209CC..  trans-126.824.8-173.166.7-90.3000112.7I73 T120 L123 A124 V127 K166 Y167 C168 F277I73-F117 HydrophobicContact CD1-CB 4.45Å; F117-T120 CarbonylContact C-O 3.55Å; F117-L123 HydrophobicContact CD1-CD2 4.35Å; F117-L123 HydrophobicContact CD2-CB 3.91Å; F117-L123 HydrophobicContact CD2-CD2 3.95Å; F117-L123 HydrophobicContact CD2-CG 3.89Å; F117-L123 HydrophobicContact CE1-CD2 4.43Å; F117-L123 HydrophobicContact CE2-CB 4.24Å; F117-L123 HydrophobicContact CE2-CD2 4.08Å; F117-L123 HydrophobicContact CE2-CG 3.81Å; F117-L123 HydrophobicContact CG-CD2 4.11Å; F117-L123 HydrophobicContact CZ-CD2 4.32Å; F117-L123 HydrophobicContact CZ-CG 4.38Å; F117-A124 HydrophobicContact CD2-CB 4.42Å; F117-A124 WeakPolarHBondContact O-CB 3.46Å; F117-V127 HydrophobicContact CE2-CB 3.74Å; F117-V127 HydrophobicContact CE2-CG1 4.4Å; F117-V127 HydrophobicContact CE2-CG2 3.93Å; F117-V127 HydrophobicContact CZ-CB 3.68Å; F117-V127 HydrophobicContact CZ-CG1 3.88Å; F117-V127 HydrophobicContact CZ-CG2 3.78Å; F117-K166 HydrophobicContact CD1-CB 4.33Å; F117-K166 WeakPolarHBondContact CD1-O 3.47Å; F117-K166 HydrophobicContact CD2-CB 4.4Å; F117-K166 HydrophobicContact CE1-CB 3.92Å; F117-K166 WeakPolarHBondContact CE1-O 3.37Å; F117-K166 HydrophobicContact CE2-CB 3.98Å; F117-K166 HydrophobicContact CE2-CD 4.13Å; F117-K166 HydrophobicContact CZ-CB 3.73Å; F117-K166 PolarHBondContact N-O 3.32Å; F117-Y167 VanDerWaalsContact CE1-C 3.42Å; F117-C168 HydrophobicContact CD1-CB 3.95Å; F117-C168 HydrophobicContact CE1-CB 3.96Å; F117-F277 AromaticContact CE1-CD1 3.82Å; F117-F277 HydrophobicContact CE1-CD1 3.82Å; F117-F277 HydrophobicContact CE1-CE1 4.01Å; F117-F277 AromaticContact CZ-CD1 3.79Å; F117-F277 HydrophobicContact CZ-CD1 3.79Å; F117-F277 AromaticContact CZ-CE1 3.95Å; F117-F277 HydrophobicContact CZ-CE1 3.95Å
118S86.4Confident88Confident34 Ų3435.3 Ų35.324%0.23818%0.183CC..SBendtrans-69.1-38.9179-71.50000112.7E116E116-S118 WeakPolarHBondContact OE1-CB 3.41Å; E116-S118 PolarHBondContact OE1-OG 3.39Å; E116-S118 VanDerWaalsContact OE2-CB 3.31Å; E116-S118 WeakPolarHBondContact OE2-CB 3.48Å; E116-S118 PolarHBondContact OE2-N 3Å
119R76.7Confident88.3Confident91 Ų9134.1 Ų34.134%0.34318%0.176SC..SBendtrans-97.5-22.5-176.2-68.9178.4-177.2-178.35.1114E159 A161 T163R119-E159 PolarHBondContact NH1-O 2.92Å; R119-E159 PolarHBondContact NH2-O 3.34Å; R119-A161 PolarHBondContact NH2-O 3.05Å; R119-T163 HydrophobicContact CG-CG2 3.96Å
120T65.1Low88.5Confident65 Ų6533.1 Ų33.140%0.39917%0.171SC..SBendtrans-104.3157.2178.657.20000108F117F117-T120 CarbonylContact C-O 3.55Å
121S64.7Low88.6Confident38 Ų3836.4 Ų36.427%0.26619%0.186SC..SBendtrans82.2149.3165.987.10000118.3F72 L123 A124F72-S121 WeakPolarHBondContact O-CA 3.45Å; F72-S121 WeakPolarHBondContact O-CB 3.39Å; S121-L123 PolarHBondContact O-N 3.19Å; S121-L123 WeakPolarHBondContact OG-CB 3.29Å; S121-L123 PolarHBondContact OG-N 3.17Å; S121-L123 VanDerWaalsContact OG-N 3.12Å; S121-A124 PolarHBondContact OG-N 3.13Å
122S84.8Confident88.7Confident47 Ų4736.5 Ų36.533%0.32919%0.187SC..G310 helixtrans-69.5-14.7163.653.60000112F72 A124 K125 F126F72-S122 VanDerWaalsContact CA-OG 3.31Å; F72-S122 WeakPolarHBondContact CA-OG 3.31Å; F72-S122 VanDerWaalsContact CD1-OG 3.29Å; F72-S122 WeakPolarHBondContact CD1-OG 3.34Å; F72-S122 PolarHBondContact O-N 3.01Å; F72-S122 PolarHBondContact O-OG 3.04Å; F72-S122 VanDerWaalsContact O-OG 3.12Å; S122-A124 VanDerWaalsContact C-N 3.32Å; S122-A124 PolarHBondContact O-N 3.16Å; S122-K125 WeakPolarHBondContact O-CB 3.38Å; S122-K125 PolarHBondContact O-N 3.5Å; S122-F126 WeakPolarHBondContact O-CD2 3.37Å
123L89.9Confident88.8Confident0 Ų036.5 Ų36.50%019%0.187CC..G310 helixtrans-63.5-35.1180-167.659000112.3P60 F64 L69 F72 I73 F117 S121 K125 F126 V127 F277P60-L123 HydrophobicContact CG-CD1 4.18Å; F64-L123 HydrophobicContact CE2-CD1 4.24Å; F64-L123 HydrophobicContact CZ-CD1 4.07Å; L69-L123 HydrophobicContact CD2-CD2 4.29Å; F72-L123 HydrophobicContact CB-CB 3.84Å; F72-L123 HydrophobicContact CB-CD1 4.3Å; F72-L123 HydrophobicContact CG-CD1 4.27Å; I73-L123 HydrophobicContact CD1-CD2 3.94Å; I73-L123 HydrophobicContact CG1-CD2 4.31Å; F117-L123 HydrophobicContact CD1-CD2 4.35Å; F117-L123 HydrophobicContact CD2-CB 3.91Å; F117-L123 HydrophobicContact CD2-CD2 3.95Å; F117-L123 HydrophobicContact CD2-CG 3.89Å; F117-L123 HydrophobicContact CE1-CD2 4.43Å; F117-L123 HydrophobicContact CE2-CB 4.24Å; F117-L123 HydrophobicContact CE2-CD2 4.08Å; F117-L123 HydrophobicContact CE2-CG 3.81Å; F117-L123 HydrophobicContact CG-CD2 4.11Å; F117-L123 HydrophobicContact CZ-CD2 4.32Å; F117-L123 HydrophobicContact CZ-CG 4.38Å; S121-L123 PolarHBondContact O-N 3.19Å; S121-L123 WeakPolarHBondContact OG-CB 3.29Å; S121-L123 PolarHBondContact OG-N 3.17Å; S121-L123 VanDerWaalsContact OG-N 3.12Å; L123-K125 PolarHBondContact O-N 2.98Å; L123-F126 PolarHBondContact O-N 3.22Å; L123-V127 HydrophobicContact CD1-CG2 4.17Å; L123-V127 HydrophobicContact CG-CG2 4.15Å; L123-V127 PolarHBondContact O-N 3.29Å; L123-F277 HydrophobicContact CD1-CZ 4.37Å; L123-F277 HydrophobicContact CD2-CE1 4Å; L123-F277 HydrophobicContact CD2-CZ 4.38Å
124A89.4Confident88.9Confident15 Ų1538.2 Ų38.212%0.12420%0.199CC..G310 helixtrans-55.6-25.6177.900000113.7F117 S121 S122 V127 K166F117-A124 HydrophobicContact CD2-CB 4.42Å; F117-A124 WeakPolarHBondContact O-CB 3.46Å; S121-A124 PolarHBondContact OG-N 3.13Å; S122-A124 VanDerWaalsContact C-N 3.32Å; S122-A124 PolarHBondContact O-N 3.16Å; A124-V127 VanDerWaalsContact O-O 3.09Å; A124-K166 PolarHBondContact O-NZ 3.22Å
125K88.2Confident89.3Confident163 Ų16341 Ų4171%0.70921%0.211SC*.G310 helixtrans-78.5-24.6176.7-59.8179-179.6176.90112.9S122 L123S122-K125 WeakPolarHBondContact O-CB 3.38Å; S122-K125 PolarHBondContact O-N 3.5Å; L123-K125 PolarHBondContact O-N 2.98Å
126F90Very high89.6Confident103 Ų10340.8 Ų40.845%0.45221%0.21SC..THydrogen-bonded Turntrans-98.4-20.7-178.5-64.9-82.2000113K58 V59 F72 S122 L123K58-F126 CarbonylContact C-O 3.55Å; V59-F126 PolarHBondContact N-O 3.37Å; F72-F126 AromaticContact CD1-CD2 3.99Å; F72-F126 HydrophobicContact CD1-CD2 3.99Å; F72-F126 HydrophobicContact CD1-CE2 4.02Å; F72-F126 AromaticContact CE1-CD2 3.72Å; F72-F126 HydrophobicContact CE1-CD2 3.72Å; F72-F126 AromaticContact CE1-CE2 3.54Å; F72-F126 HydrophobicContact CE1-CE2 3.54Å; F72-F126 HydrophobicContact CE1-CZ 4.19Å; S122-F126 WeakPolarHBondContact O-CD2 3.37Å; L123-F126 PolarHBondContact O-N 3.22Å
127V93.3Very high89.8Confident0 Ų040.2 Ų40.20%021%0.207CC..  trans-107.9119175.1-171.40000111K58 V59 P60 F117 L123 A124 K166 W189 F277K58-V127 CarbonylContact O-C 3.41Å; K58-V127 VanDerWaalsContact O-CA 3.24Å; K58-V127 WeakPolarHBondContact O-CA 3.47Å; V59-V127 HydrophobicContact CG1-CG1 4.45Å; P60-V127 HydrophobicContact CG-CG2 4.5Å; F117-V127 HydrophobicContact CE2-CB 3.74Å; F117-V127 HydrophobicContact CE2-CG1 4.4Å; F117-V127 HydrophobicContact CE2-CG2 3.93Å; F117-V127 HydrophobicContact CZ-CB 3.68Å; F117-V127 HydrophobicContact CZ-CG1 3.88Å; F117-V127 HydrophobicContact CZ-CG2 3.78Å; L123-V127 HydrophobicContact CD1-CG2 4.17Å; L123-V127 HydrophobicContact CG-CG2 4.15Å; L123-V127 PolarHBondContact O-N 3.29Å; A124-V127 VanDerWaalsContact O-O 3.09Å; V127-K166 WeakPolarHBondContact O-CE 3.31Å; V127-K166 PolarHBondContact O-NZ 2.97Å; V127-W189 HydrophobicContact CG1-CH2 4.33Å; V127-F277 HydrophobicContact CG1-CB 4.22Å; V127-F277 HydrophobicContact CG1-CD1 4.21Å; V127-F277 HydrophobicContact CG1-CG 4.1Å; V127-F277 HydrophobicContact CG2-CD1 3.93Å; V127-F277 HydrophobicContact CG2-CD2 4.26Å; V127-F277 HydrophobicContact CG2-CE1 3.76Å; V127-F277 HydrophobicContact CG2-CE2 4.11Å; V127-F277 HydrophobicContact CG2-CG 4.17Å; V127-F277 HydrophobicContact CG2-CZ 3.85Å
128H94.7Very high90.1Very high65 Ų6540.3 Ų40.330%0.30121%0.208SC..BIsolated β-bridgetrans-124124.2169.8-62.9-21.1000108.9L57 K58L57-H128 WeakPolarHBondContact CD1-O 3.34Å; K58-H128 HydrophobicContact CB-CB 3.99Å; K58-H128 VanDerWaalsContact CD-CD2 3.42Å; K58-H128 WeakPolarHBondContact CD-CD2 3.48Å; K58-H128 HydrophobicContact CG-CB 4.27Å; K58-H128 PolarHBondContact N-O 3.44Å; K58-H128 VanDerWaalsContact N-O 3.08Å; K58-H128 PolarHBondContact O-N 2.87Å
129P96.7Very high90.6Very high23 Ų2339.4 Ų39.415%0.14920%0.201CC..  trans-50.6156.8175.3-27.234.4000112.6H131 V133 Q165 K166 W189P129-H131 PolarHBondContact O-N 2.96Å; P129-V133 HydrophobicContact CB-CB 4.14Å; P129-V133 HydrophobicContact CB-CG1 4.31Å; P129-V133 HydrophobicContact CB-CG2 4.31Å; P129-Q165 HydrophobicContact CG-CB 4.45Å; P129-K166 HydrophobicContact CG-CG 4.19Å; P129-W189 HydrophobicContact CB-CD2 4.48Å; P129-W189 HydrophobicContact CB-CZ2 3.82Å; P129-W189 HydrophobicContact CG-CZ2 3.79Å
130P97.9Very high91.4Very high0 Ų038.2 Ų38.20%020%0.204CC..  trans-51.7140.5171.6-2535.3000111L55 L57 V132 V133 W189 T257 F259L55-P130 HydrophobicContact CB-CB 4.32Å; L57-P130 HydrophobicContact CB-CG 4.37Å; L57-P130 HydrophobicContact CD1-CG 4.27Å; P130-V132 HydrophobicContact CB-CG1 4.12Å; P130-V132 PolarHBondContact O-N 3.2Å; P130-V132 VanDerWaalsContact O-N 3.1Å; P130-V133 HydrophobicContact CB-CG2 4.37Å; P130-V133 VanDerWaalsContact O-CB 3.27Å; P130-V133 WeakPolarHBondContact O-CB 3.48Å; P130-V133 WeakPolarHBondContact O-CG2 3.42Å; P130-V133 PolarHBondContact O-N 2.89Å; P130-W189 VanDerWaalsContact CD-CD2 3.49Å; P130-W189 VanDerWaalsContact CD-CE3 3.48Å; P130-W189 HydrophobicContact CG-CB 4.46Å; P130-W189 HydrophobicContact CG-CD2 4.25Å; P130-W189 HydrophobicContact CG-CE3 4Å; P130-W189 HydrophobicContact CG-CG 4.47Å; P130-T257 HydrophobicContact CG-CG2 4.42Å; P130-F259 HydrophobicContact CB-CE1 3.94Å; P130-F259 HydrophobicContact CB-CZ 3.69Å; P130-F259 HydrophobicContact CG-CE1 3.92Å; P130-F259 HydrophobicContact CG-CZ 3.76Å
131H97.5Very high92.7Very high74 Ų7438.5 Ų38.534%0.34321%0.205SC..Hα-helixtrans-60.2-30.2-172.5-175.982.5000113.6L55 R56 P129 V133 S134 E135L55-H131 PolarHBondContact O-N 3.34Å; R56-H131 HydrophobicContact CB-CB 4.01Å; R56-H131 PolarHBondContact NH2-CD2 3.29Å; R56-H131 VanDerWaalsContact NH2-CG 3.34Å; P129-H131 PolarHBondContact O-N 2.96Å; H131-V133 PolarHBondContact O-N 3.25Å; H131-V133 VanDerWaalsContact O-N 3.15Å; H131-S134 PolarHBondContact ND1-OG 2.63Å; H131-S134 WeakPolarHBondContact O-CA 3.21Å; H131-S134 PolarHBondContact O-N 3.02Å; H131-S134 PolarHBondContact O-OG 3.41Å; H131-E135 IonicContact CD2-OE2 3.93Å; H131-E135 PolarHBondContact CD2-OE2 2.91Å; H131-E135 PolarHBondContact O-N 2.85Å; H131-E135 VanDerWaalsContact O-N 3.13Å
132V97.7Very high94.2Very high2 Ų237.3 Ų37.31%0.01220%0.197CC..Hα-helixtrans-55.8-30.4174.1650000112.9V33 F38 P130 E135 L136 F259V33-V132 HydrophobicContact CG1-CB 3.89Å; V33-V132 HydrophobicContact CG1-CG1 3.58Å; V33-V132 HydrophobicContact CG1-CG2 4.25Å; F38-V132 HydrophobicContact CD2-CG2 3.97Å; F38-V132 HydrophobicContact CE2-CG2 4.04Å; F38-V132 HydrophobicContact CG-CG2 4.24Å; F38-V132 HydrophobicContact CZ-CG2 4.4Å; P130-V132 HydrophobicContact CB-CG1 4.12Å; P130-V132 PolarHBondContact O-N 3.2Å; P130-V132 VanDerWaalsContact O-N 3.1Å; V132-E135 WeakPolarHBondContact CA-OE2 3.39Å; V132-E135 PolarHBondContact O-N 3.49Å; V132-L136 HydrophobicContact CG2-CD1 3.76Å; V132-L136 HydrophobicContact CG2-CG 4.23Å; V132-L136 WeakPolarHBondContact O-CG 3.27Å; V132-L136 PolarHBondContact O-N 3.18Å; V132-L136 VanDerWaalsContact O-N 3.08Å; V132-F259 HydrophobicContact CG1-CD1 4.35Å; V132-F259 HydrophobicContact CG1-CE1 3.52Å; V132-F259 HydrophobicContact CG1-CZ 3.73Å
133V97.2Very high94.5Very high0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-64.5-43175-178.80000110P129 P130 H131 E135 L136 S137 W189 F259 F281P129-V133 HydrophobicContact CB-CB 4.14Å; P129-V133 HydrophobicContact CB-CG1 4.31Å; P129-V133 HydrophobicContact CB-CG2 4.31Å; P130-V133 HydrophobicContact CB-CG2 4.37Å; P130-V133 VanDerWaalsContact O-CB 3.27Å; P130-V133 WeakPolarHBondContact O-CB 3.48Å; P130-V133 WeakPolarHBondContact O-CG2 3.42Å; P130-V133 PolarHBondContact O-N 2.89Å; H131-V133 PolarHBondContact O-N 3.25Å; H131-V133 VanDerWaalsContact O-N 3.15Å; V133-E135 VanDerWaalsContact C-N 3.28Å; V133-E135 PolarHBondContact O-N 3.49Å; V133-L136 PolarHBondContact O-N 3.43Å; V133-S137 WeakPolarHBondContact O-CA 3.16Å; V133-S137 WeakPolarHBondContact O-CB 3.5Å; V133-S137 PolarHBondContact O-N 3.27Å; V133-W189 HydrophobicContact CG2-CB 4.09Å; V133-W189 HydrophobicContact CG2-CG 3.89Å; V133-F259 HydrophobicContact CG2-CE1 4.28Å; V133-F281 HydrophobicContact CG1-CB 4.1Å; V133-F281 HydrophobicContact CG1-CD1 3.88Å; V133-F281 HydrophobicContact CG1-CG 4.01Å; V133-F281 HydrophobicContact CG2-CD1 4.25Å; V133-F281 HydrophobicContact CG2-CE1 4.11Å
134S94.8Very high94.4Very high45 Ų4538.1 Ų38.132%0.31520%0.198SC..Hα-helixtrans-68.4-25.5175.862.50000113.7H131 T141H131-S134 PolarHBondContact ND1-OG 2.63Å; H131-S134 WeakPolarHBondContact O-CA 3.21Å; H131-S134 PolarHBondContact O-N 3.02Å; H131-S134 PolarHBondContact O-OG 3.41Å; S134-T141 WeakPolarHBondContact O-CG2 3.46Å
135E96.3Very high93.6Very high70 Ų7044.5 Ų44.533%0.32723%0.225SC..Hα-helixtrans-77.1-29.7176-64.6176.890.400113G35 H131 V132 V133G35-E135 PolarHBondContact N-OE1 3.46Å; G35-E135 PolarHBondContact N-OE2 3.5Å; G35-E135 VanDerWaalsContact N-OE2 3.12Å; H131-E135 IonicContact CD2-OE2 3.93Å; H131-E135 PolarHBondContact CD2-OE2 2.91Å; H131-E135 PolarHBondContact O-N 2.85Å; H131-E135 VanDerWaalsContact O-N 3.13Å; V132-E135 WeakPolarHBondContact CA-OE2 3.39Å; V132-E135 PolarHBondContact O-N 3.49Å; V133-E135 VanDerWaalsContact C-N 3.28Å; V133-E135 PolarHBondContact O-N 3.49Å
136L96.9Very high92.2Very high9 Ų941 Ų415%0.04721%0.214CC..Hα-helixtrans-108.8-26.2-172-65.5179.6000114.5F38 V132 V133 L138 F281 L285F38-L136 HydrophobicContact CB-CD1 3.88Å; F38-L136 HydrophobicContact CD2-CD1 3.48Å; F38-L136 VanDerWaalsContact CD2-CD1 3.48Å; F38-L136 HydrophobicContact CE2-CD1 4.39Å; F38-L136 HydrophobicContact CG-CD1 4.07Å; V132-L136 HydrophobicContact CG2-CD1 3.76Å; V132-L136 HydrophobicContact CG2-CG 4.23Å; V132-L136 WeakPolarHBondContact O-CG 3.27Å; V132-L136 PolarHBondContact O-N 3.18Å; V132-L136 VanDerWaalsContact O-N 3.08Å; V133-L136 PolarHBondContact O-N 3.43Å; L136-L138 PolarHBondContact O-N 3.44Å; L136-F281 HydrophobicContact CB-CD2 4.39Å; L136-F281 HydrophobicContact CB-CE2 4.13Å; L136-F281 HydrophobicContact CD1-CE2 4.41Å; L136-L285 HydrophobicContact CD1-CD1 4.44Å; L136-L285 HydrophobicContact CD2-CD1 4.43Å
137S97.6Very high90.3Very high0 Ų040 Ų400%021%0.214CC..BIsolated β-bridgetrans-62.8121.4-175.2175.60000111.2V133 V139 T140 T141 Q165 L282V133-S137 WeakPolarHBondContact O-CA 3.16Å; V133-S137 WeakPolarHBondContact O-CB 3.5Å; V133-S137 PolarHBondContact O-N 3.27Å; S137-V139 PolarHBondContact O-N 2.73Å; S137-V139 PolarHBondContact OG-N 3.15Å; S137-T140 PolarHBondContact O-N 3.32Å; S137-T140 VanDerWaalsContact O-N 3.13Å; S137-T140 PolarHBondContact OG-N 3.5Å; S137-T140 PolarHBondContact OG-OG1 3.01Å; S137-T141 WeakPolarHBondContact O-CB 3.34Å; S137-T141 WeakPolarHBondContact O-CG2 3.45Å; S137-T141 PolarHBondContact O-N 3.23Å; S137-T141 PolarHBondContact O-OG1 3.24Å; S137-Q165 PolarHBondContact OG-NE2 2.9Å; S137-L282 CarbonylContact C-O 3.58Å; S137-L282 VanDerWaalsContact CA-O 3.31Å; S137-L282 WeakPolarHBondContact CA-O 3.46Å
138L97.4Very high88Confident3 Ų344.6 Ų44.62%0.01624%0.244CC..Hα-helixtrans-60.5-34.5175.2-60.9-170.5000111.6L136 C142 L282 V314 Y318L136-L138 PolarHBondContact O-N 3.44Å; L138-C142 WeakPolarHBondContact O-CA 3.34Å; L138-C142 VanDerWaalsContact O-CB 3.27Å; L138-C142 WeakPolarHBondContact O-CB 3.39Å; L138-C142 PolarHBondContact O-N 3.45Å; L138-L282 HydrophobicContact CB-CB 4.27Å; L138-L282 HydrophobicContact CD1-CB 3.94Å; L138-L282 HydrophobicContact CG-CB 4.05Å; L138-L282 PolarHBondContact N-O 2.88Å; L138-V314 HydrophobicContact CB-CG1 3.58Å; L138-V314 HydrophobicContact CD1-CG1 4.32Å; L138-Y318 HydrophobicContact CD1-CD1 4.19Å; L138-Y318 HydrophobicContact CD1-CD2 4.28Å; L138-Y318 HydrophobicContact CD1-CG 3.89Å; L138-Y318 HydrophobicContact CD2-CD2 3.28Å; L138-Y318 HydrophobicContact CD2-CE2 3.61Å; L138-Y318 HydrophobicContact CD2-CG 3.79Å; L138-Y318 HydrophobicContact CG-CD2 4.33Å; L138-Y318 HydrophobicContact CG-CG 4.4Å
139V95.2Very high85.6Confident15 Ų1547 Ų479%0.09126%0.258CS..Hα-helixtrans-65.1-44.7175.9-179.40000110.1S137 W143 P162 F308 V314S137-V139 PolarHBondContact O-N 2.73Å; S137-V139 PolarHBondContact OG-N 3.15Å; V139-W143 HydrophobicContact CG1-CB 4.42Å; V139-W143 WeakPolarHBondContact O-CB 3.24Å; V139-W143 PolarHBondContact O-N 2.97Å; V139-P162 HydrophobicContact CG2-CB 4.19Å; V139-P162 HydrophobicContact CG2-CG 4.19Å; V139-F308 HydrophobicContact CG2-CE1 4.17Å; V139-F308 HydrophobicContact CG2-CZ 4Å; V139-V314 HydrophobicContact CG2-CG1 4.28Å; V139-V314 HydrophobicContact CG2-CG2 4Å
140T93.6Very high83.4Confident65 Ų6552 Ų5240%0.39928%0.284SS..Hα-helixtrans-73.5-31.2-178.5-55.70000113.1S137 Q165S137-T140 PolarHBondContact O-N 3.32Å; S137-T140 VanDerWaalsContact O-N 3.13Å; S137-T140 PolarHBondContact OG-N 3.5Å; S137-T140 PolarHBondContact OG-OG1 3.01Å; T140-Q165 PolarHBondContact OG1-NE2 2.84Å
141T93.9Very high81Confident71 Ų7158 Ų5844%0.43632%0.316SS..Hα-helixtrans-98.8-24-171.555.50000114.4S134 S137S134-T141 WeakPolarHBondContact O-CG2 3.46Å; S137-T141 WeakPolarHBondContact O-CB 3.34Å; S137-T141 WeakPolarHBondContact O-CG2 3.45Å; S137-T141 PolarHBondContact O-N 3.23Å; S137-T141 PolarHBondContact O-OG1 3.24Å
142C94.3Very high78.5Confident14 Ų1462.9 Ų62.910%0.09534%0.336CS..Hα-helixtrans-123.2-20.5-172.8-56.90000114L138 F317 C321L138-C142 WeakPolarHBondContact O-CA 3.34Å; L138-C142 VanDerWaalsContact O-CB 3.27Å; L138-C142 WeakPolarHBondContact O-CB 3.39Å; L138-C142 PolarHBondContact O-N 3.45Å; C142-F317 HydrophobicContact CB-CB 4.23Å; C142-F317 WeakPolarHBondContact O-CB 3.3Å; C142-C321 VanDerWaalsContact SG-SG 3.62Å
143W92.2Very high75.8Confident24 Ų2467.3 Ų67.39%0.09136%0.359CS..SBendtrans-68125.2177.9-162.9-81.5000109.8V139 E145 D158 T160 A161 P162 N310 K313 V314 F317V139-W143 HydrophobicContact CG1-CB 4.42Å; V139-W143 WeakPolarHBondContact O-CB 3.24Å; V139-W143 PolarHBondContact O-N 2.97Å; W143-E145 PolarHBondContact O-N 3.2Å; W143-D158 PolarHBondContact NE1-OD2 3.16Å; W143-T160 WeakPolarHBondContact CZ2-O 3.44Å; W143-T160 WeakPolarHBondContact CZ2-OG1 3.4Å; W143-A161 HydrophobicContact CD2-CB 4.45Å; W143-A161 HydrophobicContact CG-CB 4.49Å; W143-A161 HydrophobicContact CZ2-CB 4.45Å; W143-P162 HydrophobicContact CE3-CG 4.42Å; W143-P162 HydrophobicContact CH2-CG 4.29Å; W143-P162 VanDerWaalsContact CZ3-CD 3.45Å; W143-P162 HydrophobicContact CZ3-CG 3.93Å; W143-N310 HydrophobicContact CH2-CB 3.86Å; W143-N310 HydrophobicContact CZ3-CB 4.09Å; W143-K313 HydrophobicContact CH2-CD 3.77Å; W143-K313 HydrophobicContact CH2-CG 4.48Å; W143-K313 HydrophobicContact CZ2-CD 4.34Å; W143-K313 HydrophobicContact CZ3-CB 4.49Å; W143-K313 HydrophobicContact CZ3-CD 4.31Å; W143-V314 HydrophobicContact CE3-CG2 3.86Å; W143-V314 HydrophobicContact CZ3-CG2 3.62Å; W143-F317 AromaticContact CD2-CD2 3.96Å; W143-F317 HydrophobicContact CD2-CD2 3.96Å; W143-F317 AromaticContact CD2-CE2 3.78Å; W143-F317 HydrophobicContact CD2-CE2 3.78Å; W143-F317 AromaticContact CE2-CE2 3.97Å; W143-F317 AromaticContact CE3-CD2 3.63Å; W143-F317 HydrophobicContact CE3-CD2 3.63Å; W143-F317 AromaticContact CE3-CE2 3.71Å; W143-F317 HydrophobicContact CE3-CE2 3.71Å; W143-F317 HydrophobicContact CG-CD2 4.44Å; W143-F317 HydrophobicContact CG-CE2 4.43Å; W143-F317 HydrophobicContact CH2-CE2 4.1Å; W143-F317 HydrophobicContact CZ2-CE2 4.14Å; W143-F317 HydrophobicContact CZ3-CD2 4.05Å; W143-F317 AromaticContact CZ3-CE2 3.86Å; W143-F317 HydrophobicContact CZ3-CE2 3.86Å
144P86.9Confident73.3Confident39 Ų3974.8 Ų74.825%0.25340%0.398SS..PPolyproline II helixtrans-65.9131.8-177.925.9-31.6000110.2F317 Q375P144-F317 HydrophobicContact CG-CD1 4.25Å; P144-F317 HydrophobicContact CG-CE1 3.77Å; P144-F317 HydrophobicContact CG-CE2 4.13Å; P144-F317 HydrophobicContact CG-CZ 3.7Å; P144-Q375 HydrophobicContact CG-CB 4.21Å
145E72.7Confident71Confident149 Ų14981.4 Ų81.470%0.69642%0.424SS*.PPolyproline II helixtrans-71.9137.2164.8-68173.5-172.400107.8W143 D147 R651W143-E145 PolarHBondContact O-N 3.2Å; E145-D147 PolarHBondContact O-N 3.34Å; E145-R651 IonicContact OE1-CZ 2.68Å; E145-R651 IonicContact OE1-NH2 3.62Å; E145-R651 PolarHBondContact OE1-NH2 3.42Å; E145-R651 IonicContact OE2-NH2 3.83Å; E145-R651 PolarHBondContact OE2-NH2 3.3Å
146D59.5Low68.5Low89 Ų8984.4 Ų84.448%0.47644%0.436SS..PPolyproline II helixtrans-52.2140.1174.6-70.9-44.5000110.2P148D146-P148 WeakPolarHBondContact O-CD 3.44Å
147D49.7Very low66.3Low83 Ų8389 Ų8944%0.44446%0.464SS..  trans-59.7114.6-177.9-174.1-8.5000108.8E145 N149 D150E145-D147 PolarHBondContact O-N 3.34Å; D147-N149 PolarHBondContact O-N 3.06Å; D147-N149 VanDerWaalsContact OD1-CB 3.31Å; D147-N149 WeakPolarHBondContact OD1-CB 3.34Å; D147-N149 PolarHBondContact OD1-N 2.95Å; D147-N149 PolarHBondContact OD1-ND2 3.42Å; D147-D150 PolarHBondContact O-N 2.94Å
148P45.9Very low64.7Low97 Ų9790.1 Ų90.163%0.6347%0.47SS*.THydrogen-bonded Turntrans-63.4-8.5179.623.8-32.2000113D146 D150D146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-D150 VanDerWaalsContact C-N 3.33Å
149N43.9Very low63.2Low114 Ų11495.3 Ų95.361%0.6149%0.494SS*.THydrogen-bonded Turntrans-80-11172-57.5-58.6000113.7D147 L151D147-N149 PolarHBondContact O-N 3.06Å; D147-N149 VanDerWaalsContact OD1-CB 3.31Å; D147-N149 WeakPolarHBondContact OD1-CB 3.34Å; D147-N149 PolarHBondContact OD1-N 2.95Å; D147-N149 PolarHBondContact OD1-ND2 3.42Å; N149-L151 PolarHBondContact O-N 3.2Å
150D51.2Low62.5Low128 Ų12897.3 Ų97.368%0.68451%0.507SS*.  trans-79.465.9163.8-134.9-16.8000108.4D147 P148 K152D147-D150 PolarHBondContact O-N 2.94Å; P148-D150 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 2.93Å
151L46.9Very low62.3Low128 Ų12895.2 Ų95.267%0.6750%0.496SS*.THydrogen-bonded Turntrans-64.716.9-173.9-76.7162.8000114.1N149N149-L151 PolarHBondContact O-N 3.2Å
152K44.7Very low62.1Low176 Ų17692.2 Ų92.277%0.76548%0.478SS*.THydrogen-bonded Turntrans-77.6-24.4-179.8-77.3-172.7176.4178.90112.9D150D150-K152 PolarHBondContact O-N 2.93Å
153D40.1Very low62Low94 Ų9492.6 Ų92.650%0.50348%0.48SS..  trans-150.7100.5176.8-55.7-75000113.2E155 F156D153-E155 PolarHBondContact O-N 3.39Å; D153-F156 HydrophobicContact CB-CB 4.45Å; D153-F156 HydrophobicContact CB-CD2 3.04Å; D153-F156 HydrophobicContact CB-CE2 3.33Å; D153-F156 HydrophobicContact CB-CG 3.98Å; D153-F156 HydrophobicContact CB-CZ 4.47Å; D153-F156 PolarHBondContact O-N 3.46Å
154I45.8Very low61.9Low157 Ų15791.5 Ų91.581%0.80548%0.476SS*.THydrogen-bonded Turntrans-69.96180-63.1169.7000112.5
155E46Very low62.2Low185 Ų18591.3 Ų91.386%0.86447%0.471SS*.THydrogen-bonded Turntrans-121.54.8-179.9-69.7-170.8159.900114.6D153 V157D153-E155 PolarHBondContact O-N 3.39Å; E155-V157 PolarHBondContact O-N 3.15Å
156F43.1Very low63.3Low132 Ų13285.9 Ų85.958%0.57945%0.445SS*.  trans-81107.9-179.8-86.5-114.3000111.2D153D153-F156 HydrophobicContact CB-CB 4.45Å; D153-F156 HydrophobicContact CB-CD2 3.04Å; D153-F156 HydrophobicContact CB-CE2 3.33Å; D153-F156 HydrophobicContact CB-CG 3.98Å; D153-F156 HydrophobicContact CB-CZ 4.47Å; D153-F156 PolarHBondContact O-N 3.46Å
157V52.4Low65Low105 Ų10581.7 Ų81.764%0.63642%0.423SS*.  trans-74.1129159177.50000106.3E155 E159E155-V157 PolarHBondContact O-N 3.15Å; V157-E159 PolarHBondContact O-N 3.43Å
158D63.2Low67.2Low25 Ų2577.7 Ų77.713%0.13440%0.402CS..  trans-52.8103.5173.7-178.8-4.4000109.6W143 T160 A161W143-D158 PolarHBondContact NE1-OD2 3.16Å; D158-T160 PolarHBondContact O-N 3Å; D158-T160 WeakPolarHBondContact OD1-CA 3.23Å; D158-T160 VanDerWaalsContact OD1-CB 3.28Å; D158-T160 WeakPolarHBondContact OD1-CB 3.12Å; D158-T160 PolarHBondContact OD1-N 3.16Å; D158-T160 PolarHBondContact OD1-OG1 3.06Å; D158-T160 PolarHBondContact OD2-OG1 3.5Å; D158-A161 HydrophobicContact CB-CB 4.3Å; D158-A161 PolarHBondContact O-N 3.41Å; D158-A161 VanDerWaalsContact O-N 3.1Å
159E67.1Low69.6Low112 Ų11273.4 Ų73.452%0.52337%0.373SS..THydrogen-bonded Turntrans-65.6-10.1-178.2-64.4-169.8165.400111.8R119 V157 H455R119-E159 PolarHBondContact NH1-O 2.92Å; R119-E159 PolarHBondContact NH2-O 3.34Å; V157-E159 PolarHBondContact O-N 3.43Å; E159-H455 PolarHBondContact O-CE1 3.4Å
160T80.1Confident72.2Confident56 Ų5668 Ų6834%0.34435%0.345SS..THydrogen-bonded Turntrans-95.4-15.9177.977.60000113.1W143 D158 N310W143-T160 WeakPolarHBondContact CZ2-O 3.44Å; W143-T160 WeakPolarHBondContact CZ2-OG1 3.4Å; D158-T160 PolarHBondContact O-N 3Å; D158-T160 WeakPolarHBondContact OD1-CA 3.23Å; D158-T160 VanDerWaalsContact OD1-CB 3.28Å; D158-T160 WeakPolarHBondContact OD1-CB 3.12Å; D158-T160 PolarHBondContact OD1-N 3.16Å; D158-T160 PolarHBondContact OD1-OG1 3.06Å; D158-T160 PolarHBondContact OD2-OG1 3.5Å; T160-N310 PolarHBondContact O-ND2 2.94Å
161A88.1Confident74.4Confident22 Ų2261.9 Ų61.918%0.18231%0.312CS..SBendtrans-63129.8177.500000111.3R119 W143 D158 T163R119-A161 PolarHBondContact NH2-O 3.05Å; W143-A161 HydrophobicContact CD2-CB 4.45Å; W143-A161 HydrophobicContact CG-CB 4.49Å; W143-A161 HydrophobicContact CZ2-CB 4.45Å; D158-A161 HydrophobicContact CB-CB 4.3Å; D158-A161 PolarHBondContact O-N 3.41Å; D158-A161 VanDerWaalsContact O-N 3.1Å; A161-T163 PolarHBondContact O-N 2.89Å
162P91.4Very high76.8Confident8 Ų855.9 Ų55.95%0.05228%0.28CS..  trans-59.8119.6-179.2-27.336.5000112.5V139 W143 F308 P309 N310 V314V139-P162 HydrophobicContact CG2-CB 4.19Å; V139-P162 HydrophobicContact CG2-CG 4.19Å; W143-P162 HydrophobicContact CE3-CG 4.42Å; W143-P162 HydrophobicContact CH2-CG 4.29Å; W143-P162 VanDerWaalsContact CZ3-CD 3.45Å; W143-P162 HydrophobicContact CZ3-CG 3.93Å; P162-F308 HydrophobicContact CB-CE1 3.75Å; P162-F308 HydrophobicContact CB-CZ 4.3Å; P162-F308 HydrophobicContact CG-CE1 4.04Å; P162-P309 HydrophobicContact CB-CB 4.19Å; P162-P309 WeakPolarHBondContact CG-O 3.34Å; P162-N310 HydrophobicContact CG-CB 4.1Å; P162-V314 HydrophobicContact CG-CG2 3.88Å
163T90.3Very high79.3Confident22 Ų2254 Ų5414%0.13527%0.272CS..  trans-100.892.617651.40000109.7E116 R119 A161E116-T163 WeakPolarHBondContact CG-O 3.45Å; R119-T163 HydrophobicContact CG-CG2 3.96Å; A161-T163 PolarHBondContact O-N 2.89Å
164V92.1Very high81.9Confident1 Ų150.2 Ų50.21%0.00626%0.255CS..  trans-139.610.6179.7-62.10000112Y167 F183 G279 N280 F308 P309V164-Y167 HydrophobicContact CB-CE2 4.24Å; V164-Y167 WeakPolarHBondContact CG1-OH 3.44Å; V164-Y167 VanDerWaalsContact O-CE2 3.23Å; V164-Y167 WeakPolarHBondContact O-CE2 3.34Å; V164-F183 HydrophobicContact CB-CE2 4.16Å; V164-F183 HydrophobicContact CB-CZ 3.98Å; V164-F183 HydrophobicContact CG1-CE2 3.9Å; V164-F183 HydrophobicContact CG1-CZ 3.93Å; V164-F183 HydrophobicContact CG2-CE2 4.46Å; V164-G279 WeakPolarHBondContact O-CA 3.48Å; V164-N280 HydrophobicContact CB-CB 4.4Å; V164-N280 HydrophobicContact CG2-CB 4.3Å; V164-N280 PolarHBondContact O-N 3.28Å; V164-F308 HydrophobicContact CG2-CD2 4.4Å; V164-F308 HydrophobicContact CG2-CE1 4.49Å; V164-F308 HydrophobicContact CG2-CE2 3.56Å; V164-F308 HydrophobicContact CG2-CZ 3.61Å; V164-P309 HydrophobicContact CG1-CG 4.07Å
165Q92.7Very high84.3Confident34 Ų3442.7 Ų42.716%0.15922%0.217CC..SBendtrans-93.5-11.8-171.8-65.9-171.61.100113.4P129 S137 T140 W189P129-Q165 HydrophobicContact CG-CB 4.45Å; S137-Q165 PolarHBondContact OG-NE2 2.9Å; T140-Q165 PolarHBondContact OG1-NE2 2.84Å; Q165-W189 VanDerWaalsContact O-CZ2 3.3Å; Q165-W189 WeakPolarHBondContact O-CZ2 3.42Å; Q165-W189 PolarHBondContact O-NE1 3.32Å; Q165-W189 VanDerWaalsContact O-NE1 3.15Å
166K94.8Very high86.6Confident35 Ų3534 Ų3415%0.15218%0.176CC..  trans-13891.8-175.3-60-177-172.2177.30111.3E116 F117 A124 V127 P129 G278E116-K166 WeakPolarHBondContact CA-O 3.35Å; E116-K166 PolarHBondContact OE1-N 3.4Å; F117-K166 HydrophobicContact CD1-CB 4.33Å; F117-K166 WeakPolarHBondContact CD1-O 3.47Å; F117-K166 HydrophobicContact CD2-CB 4.4Å; F117-K166 HydrophobicContact CE1-CB 3.92Å; F117-K166 WeakPolarHBondContact CE1-O 3.37Å; F117-K166 HydrophobicContact CE2-CB 3.98Å; F117-K166 HydrophobicContact CE2-CD 4.13Å; F117-K166 HydrophobicContact CZ-CB 3.73Å; F117-K166 PolarHBondContact N-O 3.32Å; A124-K166 PolarHBondContact O-NZ 3.22Å; V127-K166 WeakPolarHBondContact O-CE 3.31Å; V127-K166 PolarHBondContact O-NZ 2.97Å; P129-K166 HydrophobicContact CG-CG 4.19Å; K166-G278 CarbonylContact C-O 3.52Å; K166-G278 WeakPolarHBondContact CA-O 3.3Å
167Y95.4Very high88.9Confident1 Ų128.1 Ų28.10%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-103.1139.8170.1-66.7-72.9000111.5L115 E116 F117 V164 F183 F277 G278 N280 G457L115-Y167 CarbonylContact O-C 3.43Å; L115-Y167 WeakPolarHBondContact O-CA 3.48Å; E116-Y167 HydrophobicContact CB-CD1 3.85Å; E116-Y167 HydrophobicContact CB-CE1 3.54Å; E116-Y167 HydrophobicContact CG-CD1 3.96Å; E116-Y167 HydrophobicContact CG-CE1 3.57Å; F117-Y167 VanDerWaalsContact CE1-C 3.42Å; V164-Y167 HydrophobicContact CB-CE2 4.24Å; V164-Y167 WeakPolarHBondContact CG1-OH 3.44Å; V164-Y167 VanDerWaalsContact O-CE2 3.23Å; V164-Y167 WeakPolarHBondContact O-CE2 3.34Å; Y167-F183 HydrophobicContact CE2-CZ 4.46Å; Y167-F277 WeakPolarHBondContact O-CA 3.48Å; Y167-G278 PolarHBondContact N-O 3.35Å; Y167-G278 PolarHBondContact O-N 3.22Å; Y167-N280 WeakPolarHBondContact CE2-OD1 3.46Å; Y167-G457 PolarHBondContact OH-O 3.4Å
168C95.8Very high90.8Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-103.2124.5163.6-176.20000107.9L69 M112 L115 F117 F277L69-C168 VanDerWaalsContact CD2-SG 3.56Å; M112-C168 WeakPolarHBondContact CE-O 3.28Å; L115-C168 HydrophobicContact CD2-CB 4.38Å; L115-C168 PolarHBondContact O-N 3.26Å; F117-C168 HydrophobicContact CD1-CB 3.95Å; F117-C168 HydrophobicContact CE1-CB 3.96Å; C168-F277 HydrophobicContact CB-CD1 4.24Å; C168-F277 HydrophobicContact CB-CE1 3.95Å
169L97Very high92.3Very high6 Ų622.1 Ų22.13%0.03112%0.115CC..EExtended strand (participates in β ladder)trans-112.6132.2178.6-62.870.7000108.2M112 L113 Y190 L275 V276M112-L169 CarbonylContact O-C 3.51Å; M112-L169 VanDerWaalsContact O-CA 3.28Å; M112-L169 WeakPolarHBondContact O-CA 3.11Å; L113-L169 HydrophobicContact CD2-CB 4.44Å; L113-L169 HydrophobicContact CD2-CD2 3.79Å; L113-L169 HydrophobicContact CD2-CG 4.27Å; L169-Y190 HydrophobicContact CD2-CD2 4.46Å; L169-Y190 HydrophobicContact CD2-CE2 3.51Å; L169-L275 WeakPolarHBondContact O-CA 2.99Å; L169-V276 HydrophobicContact CB-CB 4.1Å; L169-V276 HydrophobicContact CB-CG1 4.49Å; L169-V276 HydrophobicContact CD1-CG1 4.19Å; L169-V276 HydrophobicContact CD2-CG1 4.4Å; L169-V276 PolarHBondContact N-O 2.92Å; L169-V276 PolarHBondContact O-N 3.15Å
170L97.6Very high93.6Very high1 Ų117.4 Ų17.41%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-130114.1178-17865.4000108.7H66 L69 L97 F101 M112 W194 L275H66-L170 HydrophobicContact CB-CD1 3.82Å; H66-L170 HydrophobicContact CB-CD2 3.95Å; L69-L170 HydrophobicContact CD1-CD2 4.2Å; L97-L170 HydrophobicContact CD2-CD2 4.23Å; L97-L170 HydrophobicContact CG-CD2 4.29Å; F101-L170 HydrophobicContact CB-CD2 4.49Å; F101-L170 HydrophobicContact CD2-CD1 3.97Å; F101-L170 HydrophobicContact CD2-CD2 3.82Å; F101-L170 HydrophobicContact CD2-CG 3.71Å; F101-L170 HydrophobicContact CE1-CD1 4.12Å; F101-L170 HydrophobicContact CE2-CD1 3.5Å; F101-L170 VanDerWaalsContact CE2-CD1 3.5Å; F101-L170 HydrophobicContact CE2-CD2 4.2Å; F101-L170 HydrophobicContact CE2-CG 3.59Å; F101-L170 HydrophobicContact CG-CD1 4.45Å; F101-L170 HydrophobicContact CG-CD2 4.14Å; F101-L170 HydrophobicContact CG-CG 4.42Å; F101-L170 HydrophobicContact CZ-CD1 3.56Å; F101-L170 HydrophobicContact CZ-CG 4.19Å; M112-L170 HydrophobicContact CB-CB 4.44Å; M112-L170 HydrophobicContact CE-CB 3.62Å; M112-L170 PolarHBondContact N-O 3.22Å; M112-L170 PolarHBondContact O-N 3.08Å; L170-W194 HydrophobicContact CD1-CH2 3.79Å; L170-W194 HydrophobicContact CD1-CZ2 4.32Å; L170-L275 HydrophobicContact CD1-CB 4.39Å; L170-L275 HydrophobicContact CD1-CD1 4.41Å
171S97.6Very high94.3Very high0 Ų015.2 Ų15.20%08%0.08CC..EExtended strand (participates in β ladder)trans-127.3128-171.4-53.70000110.9N111 K197 D273 C274N111-S171 VanDerWaalsContact OD1-CB 3.3Å; N111-S171 WeakPolarHBondContact OD1-CB 3.46Å; N111-S171 PolarHBondContact OD1-OG 2.84Å; S171-K197 PolarHBondContact OG-NZ 2.84Å; S171-D273 WeakPolarHBondContact O-CA 3.18Å; S171-C274 PolarHBondContact N-O 3Å; S171-C274 PolarHBondContact O-N 3.43Å
172M97.4Very high94.6Very high2 Ų214.7 Ų14.71%0.017%0.073CC..  trans-72.3150.3171.8-68.8176.6175.500111H100 F101 R106 L109 L110 G174 S175 D273H100-M172 HydrophobicContact CB-CE 4.2Å; F101-M172 HydrophobicContact CB-CE 4.4Å; F101-M172 HydrophobicContact CD2-CE 4.25Å; F101-M172 HydrophobicContact CD2-CG 3.76Å; F101-M172 HydrophobicContact CE2-CG 3.81Å; R106-M172 HydrophobicContact CB-SD 4.44Å; R106-M172 HydrophobicContact CG-CE 4.22Å; R106-M172 HydrophobicContact CG-SD 4.39Å; L109-M172 HydrophobicContact CD1-CB 3.66Å; L110-M172 HydrophobicContact CB-CE 3.93Å; L110-M172 HydrophobicContact CB-SD 3.9Å; L110-M172 HydrophobicContact CD1-CE 4.12Å; L110-M172 HydrophobicContact CG-CE 4.21Å; L110-M172 HydrophobicContact CG-SD 4.41Å; L110-M172 PolarHBondContact N-SD 3.41Å; L110-M172 WeakPolarHBondContact O-CB 3.36Å; L110-M172 WeakPolarHBondContact O-CG 3.2Å; L110-M172 PolarHBondContact O-N 3.23Å; M172-G174 PolarHBondContact O-N 2.84Å; M172-S175 PolarHBondContact N-OG 3.43Å; M172-S175 WeakPolarHBondContact O-CB 3.45Å; M172-S175 PolarHBondContact O-N 3.48Å; M172-S175 PolarHBondContact O-OG 3.41Å; M172-D273 WeakPolarHBondContact CA-OD1 3.08Å
173K96.5Very high94.7Very high136 Ų13614.7 Ų14.759%0.5917%0.073SC*.THydrogen-bonded Turntrans-50131.1170.2171.8169.1-178.7-177.90111.6L109 P271 D273L109-K173 WeakPolarHBondContact CD1-O 3.33Å; K173-P271 WeakPolarHBondContact CD-O 3.48Å; K173-P271 WeakPolarHBondContact CE-O 2.98Å; K173-P271 VanDerWaalsContact CG-O 3.3Å; K173-P271 WeakPolarHBondContact CG-O 3.4Å; K173-D273 PolarHBondContact N-OD1 3.16Å
174G95.4Very high94.9Very high14 Ų1413.6 Ų13.614%0.1447%0.066CC..THydrogen-bonded Turntrans92.7-5.4-177.700000113.7M172 T270M172-G174 PolarHBondContact O-N 2.84Å; G174-T270 PolarHBondContact N-O 2.9Å
175S96.2Very high95.1Very high0 Ų013.6 Ų13.60%07%0.066CC..  trans-62.8140.1179.4-63.20000111.9M172 Y269 T270M172-S175 PolarHBondContact N-OG 3.43Å; M172-S175 WeakPolarHBondContact O-CB 3.45Å; M172-S175 PolarHBondContact O-N 3.48Å; M172-S175 PolarHBondContact O-OG 3.41Å; S175-Y269 CarbonylContact O-C 3.58Å; S175-T270 WeakPolarHBondContact O-CB 3.5Å; S175-T270 PolarHBondContact O-N 3.24Å; S175-T270 PolarHBondContact O-OG1 3.15Å
176Y94.3Very high95.3Very high1 Ų112 Ų120%0.0046%0.059CC..EExtended strand (participates in β ladder)trans-132.2133.3177.8178.5-105.4000110.6F9 L13 D178 A267 V268F9-Y176 HydrophobicContact CD1-CD1 4.33Å; F9-Y176 HydrophobicContact CD1-CE1 4.31Å; F9-Y176 AromaticContact CE1-CD1 3.71Å; F9-Y176 HydrophobicContact CE1-CD1 3.71Å; F9-Y176 HydrophobicContact CE1-CD2 4.33Å; F9-Y176 AromaticContact CE1-CE1 3.34Å; F9-Y176 HydrophobicContact CE1-CE1 3.34Å; F9-Y176 HydrophobicContact CE1-CE2 4.03Å; F9-Y176 HydrophobicContact CE1-CG 4.17Å; F9-Y176 AromaticContact CE1-CZ 3.52Å; F9-Y176 AromaticContact CZ-CE1 3.75Å; F9-Y176 HydrophobicContact CZ-CE1 3.75Å; F9-Y176 AromaticContact CZ-CZ 3.75Å; L13-Y176 HydrophobicContact CD2-CD2 3.73Å; L13-Y176 HydrophobicContact CD2-CE2 3.59Å; Y176-D178 VanDerWaalsContact CE1-CA 3.48Å; Y176-D178 HydrophobicContact CE1-CB 3.8Å; Y176-D178 PolarHBondContact OH-OD1 3.21Å; Y176-A267 HydrophobicContact CE2-CB 3.99Å; Y176-V268 CarbonylContact C-O 3.56Å; Y176-V268 WeakPolarHBondContact CA-O 3.47Å
177T92Very high95.5Very high9 Ų910.3 Ų10.36%0.0555%0.051CC..EExtended strand (participates in β ladder)trans-114.2122.4168.4-53.60000107.4N111 L113 A267 V268N111-T177 PolarHBondContact ND2-OG1 3.43Å; L113-T177 HydrophobicContact CD1-CG2 4.05Å; L113-T177 WeakPolarHBondContact CD1-OG1 3.31Å; T177-A267 CarbonylContact O-C 3.57Å; T177-A267 WeakPolarHBondContact O-CA 3.42Å; T177-A267 WeakPolarHBondContact O-CB 3.44Å; T177-V268 PolarHBondContact N-O 3.25Å; T177-V268 PolarHBondContact O-N 2.73Å
178D92.5Very high95.6Very high5 Ų510.8 Ų10.83%0.0275%0.054CC..EExtended strand (participates in β ladder)trans-68172.4-176.3-150.4-16.4000112.3S4 Y176 H180 I462S4-D178 WeakPolarHBondContact CB-OD2 3.01Å; S4-D178 PolarHBondContact OG-OD2 3.36Å; Y176-D178 VanDerWaalsContact CE1-CA 3.48Å; Y176-D178 HydrophobicContact CE1-CB 3.8Å; Y176-D178 PolarHBondContact OH-OD1 3.21Å; D178-H180 PolarHBondContact O-N 2.92Å; D178-H180 PolarHBondContact O-ND1 3Å; D178-I462 HydrophobicContact CB-CD1 3.89Å
179F94.3Very high95.8Very high0 Ų010.8 Ų10.80%05%0.054CC..EExtended strand (participates in β ladder)trans-58.1128.2-180-75.9-82.3000111.5Y200 M202 W215 F225 F226 P227 V247 I265 H266 A267F179-Y200 WeakPolarHBondContact CE1-O 3.44Å; F179-M202 HydrophobicContact CE1-CG 4.42Å; F179-M202 HydrophobicContact CE1-SD 4.32Å; F179-W215 WeakPolarHBondContact O-CZ3 3.28Å; F179-F225 HydrophobicContact CD2-CE2 4.31Å; F179-F225 HydrophobicContact CE2-CD2 4.18Å; F179-F225 AromaticContact CE2-CE2 3.5Å; F179-F225 HydrophobicContact CE2-CE2 3.5Å; F179-F225 AromaticContact CE2-CZ 3.7Å; F179-F225 HydrophobicContact CE2-CZ 3.7Å; F179-F225 HydrophobicContact CZ-CE2 4.41Å; F179-F225 HydrophobicContact CZ-CZ 4.22Å; F179-F226 HydrophobicContact CB-CB 4.03Å; F179-F226 HydrophobicContact CB-CD1 4.09Å; F179-F226 HydrophobicContact CB-CG 4.3Å; F179-F226 HydrophobicContact CD1-CD1 4.14Å; F179-F226 HydrophobicContact CD2-CB 3.76Å; F179-F226 HydrophobicContact CD2-CD1 4.35Å; F179-F226 HydrophobicContact CE2-CB 4.46Å; F179-F226 HydrophobicContact CG-CB 4.02Å; F179-F226 AromaticContact CG-CD1 3.93Å; F179-F226 HydrophobicContact CG-CD1 3.93Å; F179-F226 HydrophobicContact CG-CG 4.38Å; F179-P227 HydrophobicContact CE2-CG 3.73Å; F179-P227 HydrophobicContact CZ-CG 3.68Å; F179-V247 HydrophobicContact CZ-CG1 4.28Å; F179-I265 HydrophobicContact CB-CG2 4.24Å; F179-I265 HydrophobicContact CD1-CG2 3.96Å; F179-H266 CarbonylContact C-O 3.55Å; F179-H266 VanDerWaalsContact CA-O 3.29Å; F179-H266 WeakPolarHBondContact CA-O 3.11Å; F179-A267 HydrophobicContact CB-CB 4.49Å; F179-A267 HydrophobicContact CD1-CB 3.84Å; F179-A267 HydrophobicContact CD2-CB 3.8Å; F179-A267 HydrophobicContact CE1-CB 3.95Å; F179-A267 HydrophobicContact CE2-CB 3.91Å; F179-A267 HydrophobicContact CG-CB 3.79Å; F179-A267 HydrophobicContact CZ-CB 3.99Å
180H93.4Very high95.8Very high12 Ų1211.4 Ų11.46%0.0566%0.056CC..EExtended strand (participates in β ladder)trans-148.9164.5176.361.5-70.3000111.3D178 Y212 I265 H266D178-H180 PolarHBondContact O-N 2.92Å; D178-H180 PolarHBondContact O-ND1 3Å; H180-Y212 WeakPolarHBondContact CA-OH 3.41Å; H180-I265 WeakPolarHBondContact O-CA 3.23Å; H180-H266 AromaticContact CD2-CE1 3.92Å; H180-H266 AromaticContact CE1-CD2 3.82Å; H180-H266 AromaticContact CE1-CE1 3.83Å; H180-H266 AromaticContact CE1-NE2 3.38Å; H180-H266 PolarHBondContact CE1-NE2 3.25Å; H180-H266 PolarHBondContact N-O 2.94Å; H180-H266 PolarHBondContact ND1-O 3.35Å; H180-H266 VanDerWaalsContact ND1-O 3.11Å; H180-H266 AromaticContact NE2-CE1 3.51Å; H180-H266 AromaticContact NE2-NE2 3.29Å; H180-H266 PolarHBondContact NE2-NE2 3.2Å; H180-H266 PolarHBondContact O-N 3.16Å; H180-H266 PolarHBondContact O-ND1 3.12Å
181I95.7Very high95.9Very high11 Ų1111.5 Ų11.56%0.0566%0.057CC..  trans-109.5134.2163-58176.3000106.5V209 Y212 I265 I293I181-V209 HydrophobicContact CD1-CG2 4.5Å; I181-Y212 HydrophobicContact CB-CE1 4.22Å; I181-Y212 HydrophobicContact CD1-CD1 3.55Å; I181-Y212 HydrophobicContact CD1-CE1 3.83Å; I181-Y212 HydrophobicContact CD1-CG 4.14Å; I181-Y212 HydrophobicContact CG1-CD1 3.96Å; I181-Y212 HydrophobicContact CG1-CE1 3.84Å; I181-Y212 HydrophobicContact CG1-CG 4.37Å; I181-Y212 PolarHBondContact N-OH 3.15Å; I181-I265 HydrophobicContact CD1-CD1 4.47Å; I181-I265 HydrophobicContact CD1-CG1 3.69Å; I181-I265 HydrophobicContact CG1-CB 4.35Å; I181-I265 HydrophobicContact CG1-CG1 3.57Å; I181-I293 HydrophobicContact CB-CD1 4.44Å; I181-I293 HydrophobicContact CD1-CD1 3.53Å; I181-I293 HydrophobicContact CG2-CD1 3.81Å; I181-I293 HydrophobicContact CG2-CG1 4.05Å; I181-I293 HydrophobicContact CG2-CG2 4.23Å
182D95.1Very high95.9Very high10 Ų1011.5 Ų11.55%0.0536%0.057CC..  trans-60.4146178.7-75.2-65.5000112.7G185 V188 H266 L459D182-G185 WeakPolarHBondContact O-CA 3.33Å; D182-G185 PolarHBondContact O-N 3.39Å; D182-V188 HydrophobicContact CB-CG2 4.19Å; D182-V188 VanDerWaalsContact CG-CG2 3.42Å; D182-V188 WeakPolarHBondContact OD2-CG2 3.43Å; D182-H266 IonicContact OD2-CE1 2.79Å; D182-H266 PolarHBondContact OD2-CE1 3.16Å; D182-H266 IonicContact OD2-NE2 2.67Å; D182-L459 WeakPolarHBondContact OD1-CD2 3.4Å
183F93Very high95.9Very high8 Ų811.9 Ų11.94%0.0356%0.059CC..G310 helixtrans-56.3139.1-172.656.9-98.1000112.4V164 Y167 G185 S186 N280 E297 F306 F308 L459V164-F183 HydrophobicContact CB-CE2 4.16Å; V164-F183 HydrophobicContact CB-CZ 3.98Å; V164-F183 HydrophobicContact CG1-CE2 3.9Å; V164-F183 HydrophobicContact CG1-CZ 3.93Å; V164-F183 HydrophobicContact CG2-CE2 4.46Å; Y167-F183 HydrophobicContact CE2-CZ 4.46Å; F183-G185 PolarHBondContact O-N 3.44Å; F183-G185 VanDerWaalsContact O-N 3.15Å; F183-S186 WeakPolarHBondContact O-CB 3.16Å; F183-S186 PolarHBondContact O-N 2.88Å; F183-S186 VanDerWaalsContact O-N 3.16Å; F183-S186 PolarHBondContact O-OG 3.09Å; F183-N280 HydrophobicContact CE1-CB 4.49Å; F183-N280 HydrophobicContact CE2-CB 4.11Å; F183-N280 HydrophobicContact CZ-CB 3.71Å; F183-N280 VanDerWaalsContact CZ-CG 3.49Å; F183-E297 VanDerWaalsContact CA-OE1 3.23Å; F183-E297 WeakPolarHBondContact CA-OE1 3.31Å; F183-F306 WeakPolarHBondContact CB-O 3.31Å; F183-F308 HydrophobicContact CD2-CB 3.73Å; F183-F308 AromaticContact CD2-CD2 3.7Å; F183-F308 HydrophobicContact CD2-CD2 3.7Å; F183-F308 HydrophobicContact CD2-CG 4.11Å; F183-F308 HydrophobicContact CE2-CB 4.25Å; F183-F308 AromaticContact CE2-CD2 3.49Å; F183-F308 HydrophobicContact CE2-CD2 3.49Å; F183-F308 VanDerWaalsContact CE2-CD2 3.49Å; F183-F308 HydrophobicContact CE2-CE2 4.15Å; F183-F308 HydrophobicContact CE2-CG 4.15Å; F183-L459 HydrophobicContact CD1-CD2 4.32Å; F183-L459 HydrophobicContact CE1-CD2 3.98Å; F183-L459 HydrophobicContact CE1-CG 4.35Å
184G94.1Very high95.9Very high0 Ų07.8 Ų7.80%04%0.04CC..G310 helixtrans62.513.3-174.400000114.4S186 E297 F311G184-S186 PolarHBondContact O-N 3.46Å; G184-E297 PolarHBondContact N-OE1 3.05Å; G184-E297 PolarHBondContact N-OE2 2.79Å; G184-F311 WeakPolarHBondContact O-CE2 3.48Å
185G96Very high96Very high0 Ų07.9 Ų7.90%04%0.041CC..G310 helixtrans62.632-172.500000112.1D182 F183 S262 Q290 I293D182-G185 WeakPolarHBondContact O-CA 3.33Å; D182-G185 PolarHBondContact O-N 3.39Å; F183-G185 PolarHBondContact O-N 3.44Å; F183-G185 VanDerWaalsContact O-N 3.15Å; G185-S262 WeakPolarHBondContact O-CA 3.39Å; G185-S262 WeakPolarHBondContact O-CB 3.46Å; G185-S262 PolarHBondContact O-OG 3.08Å; G185-Q290 WeakPolarHBondContact O-CG 3.5Å; G185-I293 VanDerWaalsContact N-CG2 3.28Å
186S97.9Very high96.1Very high1 Ų19.2 Ų9.21%0.0075%0.047CC..  trans-65.1152.8-179.652.50000112.4F183 G184 N280F183-S186 WeakPolarHBondContact O-CB 3.16Å; F183-S186 PolarHBondContact O-N 2.88Å; F183-S186 VanDerWaalsContact O-N 3.16Å; F183-S186 PolarHBondContact O-OG 3.09Å; G184-S186 PolarHBondContact O-N 3.46Å; S186-N280 PolarHBondContact OG-ND2 2.82Å
187S98.5Very high96.3Very high0 Ų09.2 Ų9.20%05%0.047CC..EExtended strand (participates in β ladder)trans-79.2153.4163.5-67.30000109.9L260 S262 N280 F281S187-L260 CarbonylContact C-O 3.58Å; S187-L260 VanDerWaalsContact CA-O 3.23Å; S187-L260 WeakPolarHBondContact CA-O 3.19Å; S187-L260 WeakPolarHBondContact CB-O 3.38Å; S187-S262 PolarHBondContact OG-N 2.83Å; S187-N280 CarbonylContact O-C 3.59Å; S187-N280 VanDerWaalsContact O-CA 3.27Å; S187-N280 WeakPolarHBondContact O-CA 3.37Å; S187-F281 PolarHBondContact N-O 3.11Å; S187-F281 WeakPolarHBondContact O-CD1 3.31Å; S187-F281 PolarHBondContact O-N 3.15Å
188V98.1Very high96.6Very high11 Ų119.4 Ų9.47%0.0675%0.048CC..EExtended strand (participates in β ladder)trans-119.8143.9-179.5-179.50000111D182 F259 L260 G279 N280D182-V188 HydrophobicContact CB-CG2 4.19Å; D182-V188 VanDerWaalsContact CG-CG2 3.42Å; D182-V188 WeakPolarHBondContact OD2-CG2 3.43Å; V188-F259 CarbonylContact O-C 3.35Å; V188-F259 WeakPolarHBondContact O-CA 3.41Å; V188-L260 HydrophobicContact CB-CB 4.2Å; V188-L260 PolarHBondContact N-O 3.03Å; V188-L260 PolarHBondContact O-N 2.69Å; V188-G279 WeakPolarHBondContact CA-O 3.41Å; V188-N280 WeakPolarHBondContact CG2-ND2 3.2Å
189W98.4Very high96.9Very high0 Ų09.3 Ų9.30%05%0.047CC..EExtended strand (participates in β ladder)trans-113138.9157.171.6-84.4000109L57 V127 P129 P130 V133 Q165 H191 I258 F259 F277 G278 G279L57-W189 HydrophobicContact CD1-CH2 4.39Å; L57-W189 HydrophobicContact CD1-CZ3 3.97Å; V127-W189 HydrophobicContact CG1-CH2 4.33Å; P129-W189 HydrophobicContact CB-CD2 4.48Å; P129-W189 HydrophobicContact CB-CZ2 3.82Å; P129-W189 HydrophobicContact CG-CZ2 3.79Å; P130-W189 VanDerWaalsContact CD-CD2 3.49Å; P130-W189 VanDerWaalsContact CD-CE3 3.48Å; P130-W189 HydrophobicContact CG-CB 4.46Å; P130-W189 HydrophobicContact CG-CD2 4.25Å; P130-W189 HydrophobicContact CG-CE3 4Å; P130-W189 HydrophobicContact CG-CG 4.47Å; V133-W189 HydrophobicContact CG2-CB 4.09Å; V133-W189 HydrophobicContact CG2-CG 3.89Å; Q165-W189 VanDerWaalsContact O-CZ2 3.3Å; Q165-W189 WeakPolarHBondContact O-CZ2 3.42Å; Q165-W189 PolarHBondContact O-NE1 3.32Å; Q165-W189 VanDerWaalsContact O-NE1 3.15Å; W189-H191 HydrophobicContact CE3-CB 4.44Å; W189-H191 HydrophobicContact CZ3-CB 4.1Å; W189-I258 CarbonylContact C-O 3.57Å; W189-I258 WeakPolarHBondContact CA-O 3.44Å; W189-F259 HydrophobicContact CB-CD1 3.74Å; W189-F259 HydrophobicContact CB-CE1 3.72Å; W189-F277 HydrophobicContact CH2-CB 3.97Å; W189-F277 HydrophobicContact CZ3-CB 4.18Å; W189-F277 WeakPolarHBondContact CZ3-O 3.32Å; W189-G278 VanDerWaalsContact CZ2-O 3.27Å; W189-G278 WeakPolarHBondContact CZ2-O 3.17Å; W189-G278 CarbonylContact O-C 3.54Å; W189-G278 WeakPolarHBondContact O-CA 3.27Å; W189-G279 PolarHBondContact N-O 3.46Å; W189-G279 VanDerWaalsContact NE1-CA 3.28Å; W189-G279 PolarHBondContact O-N 2.89Å
190Y98.3Very high97Very high19 Ų199.6 Ų9.68%0.0755%0.048CC..EExtended strand (participates in β ladder)trans-146.2113-171.5-165.7-74.4000110.1L169 V192 K197 F199 T257 I258 V276L169-Y190 HydrophobicContact CD2-CD2 4.46Å; L169-Y190 HydrophobicContact CD2-CE2 3.51Å; Y190-V192 HydrophobicContact CD1-CG2 4.38Å; Y190-V192 HydrophobicContact CE1-CG2 4.13Å; Y190-K197 HydrophobicContact CE1-CB 4.48Å; Y190-K197 HydrophobicContact CE1-CG 3.9Å; Y190-K197 VanDerWaalsContact OH-CE 3.25Å; Y190-K197 WeakPolarHBondContact OH-CE 3.35Å; Y190-F199 HydrophobicContact CD1-CE2 4.35Å; Y190-F199 HydrophobicContact CD1-CZ 4.11Å; Y190-F199 HydrophobicContact CD2-CZ 4.1Å; Y190-F199 HydrophobicContact CE1-CE2 4.23Å; Y190-F199 HydrophobicContact CE1-CZ 4.12Å; Y190-F199 HydrophobicContact CE2-CZ 4.1Å; Y190-F199 HydrophobicContact CG-CZ 4.12Å; Y190-T257 CarbonylContact O-C 3.56Å; Y190-T257 VanDerWaalsContact O-CA 3.3Å; Y190-T257 WeakPolarHBondContact O-CA 3.43Å; Y190-I258 HydrophobicContact CD1-CG2 4.43Å; Y190-I258 HydrophobicContact CG-CG2 4.37Å; Y190-I258 PolarHBondContact N-O 3.09Å; Y190-I258 PolarHBondContact O-N 3.36Å; Y190-V276 HydrophobicContact CD1-CB 4.46Å; Y190-V276 HydrophobicContact CD1-CG1 3.5Å; Y190-V276 VanDerWaalsContact CD1-CG1 3.5Å; Y190-V276 HydrophobicContact CD1-CG2 4.14Å; Y190-V276 HydrophobicContact CD2-CG1 3.96Å; Y190-V276 HydrophobicContact CE1-CB 3.82Å; Y190-V276 HydrophobicContact CE1-CG1 3.25Å; Y190-V276 HydrophobicContact CE1-CG2 3.27Å; Y190-V276 HydrophobicContact CE2-CG1 3.77Å; Y190-V276 HydrophobicContact CG-CG1 3.83Å; Y190-V276 WeakPolarHBondContact OH-CG2 3.4Å
191H98.4Very high97.3Very high2 Ų29.1 Ų9.11%0.0095%0.046CC..EExtended strand (participates in β ladder)trans-114.8118.1-176.1-176.773.7000111.3L57 W189 M193 G255 Q256 T257 V276 F277L57-H191 HydrophobicContact CD2-CB 4.01Å; L57-H191 WeakPolarHBondContact CD2-ND1 3.43Å; W189-H191 HydrophobicContact CE3-CB 4.44Å; W189-H191 HydrophobicContact CZ3-CB 4.1Å; H191-M193 PolarHBondContact O-N 2.89Å; H191-G255 PolarHBondContact CE1-O 3.13Å; H191-Q256 PolarHBondContact ND1-O 3.45Å; H191-T257 HydrophobicContact CB-CG2 4.28Å; H191-T257 PolarHBondContact ND1-OG1 3.42Å; H191-V276 VanDerWaalsContact O-CA 3.27Å; H191-V276 WeakPolarHBondContact O-CA 3.49Å; H191-V276 WeakPolarHBondContact O-CG1 3.44Å; H191-F277 PolarHBondContact N-O 2.93Å; H191-F277 PolarHBondContact O-N 3.33Å
192V98.3Very high97.3Very high0 Ų08.6 Ų8.60%04%0.043CC..EExtended strand (participates in β ladder)trans-82.5113.8177.3179.90000109.3Y190 G195 K197 I252 G255 Q256 V276Y190-V192 HydrophobicContact CD1-CG2 4.38Å; Y190-V192 HydrophobicContact CE1-CG2 4.13Å; V192-G195 WeakPolarHBondContact CG1-O 3.42Å; V192-K197 HydrophobicContact CG2-CG 4.49Å; V192-I252 HydrophobicContact CB-CG2 4.46Å; V192-I252 HydrophobicContact CG2-CB 4.08Å; V192-I252 HydrophobicContact CG2-CG2 3.56Å; V192-G255 PolarHBondContact O-N 2.93Å; V192-Q256 PolarHBondContact N-O 3.43Å; V192-Q256 VanDerWaalsContact N-O 3.14Å; V192-V276 HydrophobicContact CB-CG2 4.28Å; V192-V276 HydrophobicContact CG2-CG2 3.88Å
193M97Very high97.4Very high10 Ų109.5 Ų9.55%0.0495%0.05CC..EExtended strand (participates in β ladder)trans-72.4-54.8174.1-74.1-67.9-63.800110.5V59 P60 F64 H191 L275 F277V59-M193 HydrophobicContact CB-CE 4.43Å; V59-M193 HydrophobicContact CB-SD 3.61Å; V59-M193 HydrophobicContact CG1-SD 4.13Å; V59-M193 HydrophobicContact CG2-CE 4.45Å; V59-M193 HydrophobicContact CG2-SD 3.67Å; P60-M193 HydrophobicContact CB-CE 4.29Å; P60-M193 WeakPolarHBondContact O-CE 3.21Å; F64-M193 HydrophobicContact CB-CE 4.42Å; H191-M193 PolarHBondContact O-N 2.89Å; M193-L275 HydrophobicContact CB-CD2 3.65Å; M193-L275 WeakPolarHBondContact CB-O 3.5Å; M193-L275 HydrophobicContact CG-CD2 3.55Å; M193-L275 PolarHBondContact N-O 2.68Å; M193-F277 HydrophobicContact CE-CE2 4.5Å; M193-F277 HydrophobicContact CG-CD2 3.52Å; M193-F277 HydrophobicContact CG-CE2 3.64Å; M193-F277 HydrophobicContact SD-CD2 3.91Å; M193-F277 HydrophobicContact SD-CE2 4.02Å
194W97.6Very high97.5Very high51 Ų5110.4 Ų10.419%0.1936%0.056CC..EExtended strand (participates in β ladder)trans-150162175.848.1-104.7000110.1F64 H66 F101 L170 D273 C274 L275F64-W194 PolarHBondContact O-NE1 3.16Å; H66-W194 HydrophobicContact CB-CH2 4.48Å; H66-W194 HydrophobicContact CB-CZ2 4.32Å; F101-W194 AromaticContact CE1-CH2 3.95Å; F101-W194 HydrophobicContact CE1-CH2 3.95Å; F101-W194 HydrophobicContact CE1-CZ3 4.43Å; F101-W194 AromaticContact CZ-CH2 3.93Å; F101-W194 HydrophobicContact CZ-CH2 3.93Å; F101-W194 HydrophobicContact CZ-CZ3 4.22Å; L170-W194 HydrophobicContact CD1-CH2 3.79Å; L170-W194 HydrophobicContact CD1-CZ2 4.32Å; W194-D273 VanDerWaalsContact CZ3-C 3.43Å; W194-D273 HydrophobicContact CZ3-CB 4.05Å; W194-D273 WeakPolarHBondContact CZ3-O 3.33Å; W194-C274 WeakPolarHBondContact O-CA 3Å; W194-C274 PolarHBondContact O-SG 3.26Å; W194-C274 VanDerWaalsContact O-SG 3.37Å; W194-L275 HydrophobicContact CD2-CB 3.79Å; W194-L275 HydrophobicContact CE3-CB 4.2Å; W194-L275 HydrophobicContact CG-CB 4.49Å; W194-L275 HydrophobicContact CH2-CB 3.68Å; W194-L275 HydrophobicContact CZ2-CB 3.23Å; W194-L275 HydrophobicContact CZ2-CD1 3.78Å; W194-L275 HydrophobicContact CZ2-CG 4.13Å; W194-L275 HydrophobicContact CZ3-CB 4.15Å; W194-L275 PolarHBondContact O-N 2.89Å; W194-L275 VanDerWaalsContact O-N 3.11Å
195G97.4Very high97.6Very high16 Ų1612.7 Ų12.717%0.1657%0.071CC..SBendtrans79.9-153.3-168.300000111.7V192 P254 S272 D273V192-G195 WeakPolarHBondContact CG1-O 3.42Å; G195-P254 WeakPolarHBondContact O-CD 3.41Å; G195-P254 WeakPolarHBondContact O-CG 3.42Å; G195-S272 WeakPolarHBondContact CA-OG 3.47Å; G195-D273 WeakPolarHBondContact CA-O 3.45Å
196E97.9Very high97.4Very high27 Ų2716.9 Ų16.913%0.12610%0.098CC..  trans-159.1161.5179.645.9175.2-162.600111.3R251 I252 L253 P271 S272E196-R251 IonicContact OE1-CZ 3.27Å; E196-R251 IonicContact OE1-NE 3.91Å; E196-R251 IonicContact OE1-NH2 3.11Å; E196-R251 PolarHBondContact OE1-NH2 3.15Å; E196-R251 IonicContact OE2-CZ 3.58Å; E196-R251 IonicContact OE2-NE 3.47Å; E196-R251 PolarHBondContact OE2-NE 3.3Å; E196-R251 IonicContact OE2-NH2 2.7Å; E196-R251 PolarHBondContact OE2-NH2 2.9Å; E196-I252 WeakPolarHBondContact CA-O 3.34Å; E196-I252 WeakPolarHBondContact CB-O 3.24Å; E196-L253 HydrophobicContact CB-CD2 4.49Å; E196-P271 HydrophobicContact CG-CB 4.34Å; E196-P271 HydrophobicContact CG-CG 4.1Å; E196-P271 WeakPolarHBondContact O-CD 3.27Å; E196-P271 VanDerWaalsContact OE1-CB 3.29Å; E196-P271 WeakPolarHBondContact OE1-CB 3.08Å; E196-S272 VanDerWaalsContact CG-OG 3.32Å; E196-S272 WeakPolarHBondContact CG-OG 3.38Å; E196-S272 PolarHBondContact N-OG 2.86Å
197K98.3Very high97.2Very high1 Ų120.8 Ų20.80%0.00412%0.116CC..EExtended strand (participates in β ladder)trans-132.8144176.6-67.2-70-175.9156.40110S171 Y190 V192 F199 R251 I252 V268 T270 V276S171-K197 PolarHBondContact OG-NZ 2.84Å; Y190-K197 HydrophobicContact CE1-CB 4.48Å; Y190-K197 HydrophobicContact CE1-CG 3.9Å; Y190-K197 VanDerWaalsContact OH-CE 3.25Å; Y190-K197 WeakPolarHBondContact OH-CE 3.35Å; V192-K197 HydrophobicContact CG2-CG 4.49Å; K197-F199 HydrophobicContact CB-CD2 4.23Å; K197-F199 HydrophobicContact CB-CE2 3.81Å; K197-R251 WeakPolarHBondContact O-CA 3.49Å; K197-I252 PolarHBondContact N-O 2.7Å; K197-I252 VanDerWaalsContact N-O 3.08Å; K197-I252 PolarHBondContact O-N 2.81Å; K197-V268 HydrophobicContact CB-CG1 4.17Å; K197-V268 HydrophobicContact CD-CG1 3.75Å; K197-V268 HydrophobicContact CG-CG1 4.37Å; K197-T270 HydrophobicContact CD-CG2 4Å; K197-T270 PolarHBondContact NZ-OG1 2.89Å; K197-V276 HydrophobicContact CG-CG2 4.47Å
198V98.4Very high97Very high14 Ų1421.3 Ų21.39%0.08512%0.118CC..EExtended strand (participates in β ladder)trans-114.8116.2172.6178.70000107.5Y200 C249 L250 R251 V268 Y269 P271V198-Y200 HydrophobicContact CG1-CE1 4.28Å; V198-Y200 HydrophobicContact CG1-CE2 4.14Å; V198-C249 VanDerWaalsContact CG1-SG 3.52Å; V198-L250 CarbonylContact C-O 3.59Å; V198-L250 WeakPolarHBondContact CA-O 3.44Å; V198-R251 HydrophobicContact CG2-CG 4.15Å; V198-V268 CarbonylContact O-C 3.59Å; V198-V268 WeakPolarHBondContact O-CA 3.45Å; V198-Y269 HydrophobicContact CB-CD1 4.44Å; V198-Y269 HydrophobicContact CG2-CD1 4.46Å; V198-Y269 PolarHBondContact N-O 3.43Å; V198-Y269 PolarHBondContact O-N 3.32Å; V198-P271 HydrophobicContact CG2-CG 3.65Å
199F98.2Very high96.8Very high2 Ų220.8 Ų20.81%0.00912%0.115CC..EExtended strand (participates in β ladder)trans-94.5132.8176-76-106.7000109.6Y190 K197 L201 C249 L250 I252 I258 L260 H266 A267 V268Y190-F199 HydrophobicContact CD1-CE2 4.35Å; Y190-F199 HydrophobicContact CD1-CZ 4.11Å; Y190-F199 HydrophobicContact CD2-CZ 4.1Å; Y190-F199 HydrophobicContact CE1-CE2 4.23Å; Y190-F199 HydrophobicContact CE1-CZ 4.12Å; Y190-F199 HydrophobicContact CE2-CZ 4.1Å; Y190-F199 HydrophobicContact CG-CZ 4.12Å; K197-F199 HydrophobicContact CB-CD2 4.23Å; K197-F199 HydrophobicContact CB-CE2 3.81Å; F199-L201 HydrophobicContact CB-CD2 3.91Å; F199-L201 HydrophobicContact CB-CG 4.04Å; F199-L201 HydrophobicContact CD1-CD2 4.18Å; F199-C249 WeakPolarHBondContact O-CA 3.33Å; F199-L250 HydrophobicContact CB-CB 4.43Å; F199-L250 PolarHBondContact N-O 3.12Å; F199-L250 PolarHBondContact O-N 3.49Å; F199-I252 HydrophobicContact CD2-CG1 3.65Å; F199-I252 HydrophobicContact CE2-CG1 3.77Å; F199-I258 HydrophobicContact CE2-CG2 4.49Å; F199-I258 HydrophobicContact CZ-CG2 4.41Å; F199-L260 HydrophobicContact CD1-CD1 4.2Å; F199-L260 HydrophobicContact CE1-CD1 3.91Å; F199-H266 AromaticContact CD1-CD2 3.91Å; F199-H266 AromaticContact CE1-CD2 3.93Å; F199-A267 WeakPolarHBondContact CA-O 3.5Å; F199-V268 HydrophobicContact CD1-CG2 3.78Å; F199-V268 HydrophobicContact CE1-CG2 3.64Å; F199-V268 HydrophobicContact CE2-CG1 4.37Å; F199-V268 HydrophobicContact CG-CG2 4.31Å; F199-V268 HydrophobicContact CZ-CG1 4.48Å; F199-V268 HydrophobicContact CZ-CG2 4.07Å
200Y98.1Very high96.6Very high7 Ų722.7 Ų22.73%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-105.4111.7167.8-56.8-83.3000107.3L13 F18 F179 V198 V247 Y248 H266 A267L13-Y200 HydrophobicContact CD1-CE1 4.22Å; L13-Y200 HydrophobicContact CD1-CE2 4.14Å; L13-Y200 HydrophobicContact CD2-CE2 3.84Å; L13-Y200 HydrophobicContact CG-CE2 4.24Å; F18-Y200 HydrophobicContact CD1-CD1 4.37Å; F18-Y200 AromaticContact CD2-CD1 3.91Å; F18-Y200 HydrophobicContact CD2-CD1 3.91Å; F18-Y200 AromaticContact CD2-CE1 3.5Å; F18-Y200 HydrophobicContact CD2-CE1 3.5Å; F18-Y200 VanDerWaalsContact CD2-CE1 3.5Å; F18-Y200 HydrophobicContact CE1-CD1 4.36Å; F18-Y200 AromaticContact CE2-CD1 3.91Å; F18-Y200 HydrophobicContact CE2-CD1 3.91Å; F18-Y200 AromaticContact CE2-CE1 3.46Å; F18-Y200 HydrophobicContact CE2-CE1 3.46Å; F18-Y200 VanDerWaalsContact CE2-CE1 3.46Å; F18-Y200 HydrophobicContact CG-CD1 4.12Å; F18-Y200 HydrophobicContact CG-CE1 4.15Å; F18-Y200 HydrophobicContact CZ-CD1 4.13Å; F18-Y200 HydrophobicContact CZ-CE1 4.09Å; F179-Y200 WeakPolarHBondContact CE1-O 3.44Å; V198-Y200 HydrophobicContact CG1-CE1 4.28Å; V198-Y200 HydrophobicContact CG1-CE2 4.14Å; Y200-V247 HydrophobicContact CD1-CG1 4.44Å; Y200-Y248 CarbonylContact C-O 3.6Å; Y200-Y248 WeakPolarHBondContact CA-O 3.45Å; Y200-H266 CarbonylContact O-C 3.58Å; Y200-H266 WeakPolarHBondContact O-CA 3.23Å; Y200-A267 HydrophobicContact CD2-CB 4.26Å; Y200-A267 PolarHBondContact N-O 3.15Å; Y200-A267 PolarHBondContact O-N 3.38Å
201L98Very high96.4Very high1 Ų121.9 Ų21.91%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-112.3134.7-166.5-58.1172000110.6P46 F199 Y248 L250 L260 W264 H266P46-L201 HydrophobicContact CG-CD1 4.15Å; F199-L201 HydrophobicContact CB-CD2 3.91Å; F199-L201 HydrophobicContact CB-CG 4.04Å; F199-L201 HydrophobicContact CD1-CD2 4.18Å; L201-Y248 PolarHBondContact N-O 3.26Å; L201-Y248 PolarHBondContact O-N 3.09Å; L201-L250 HydrophobicContact CD1-CB 4.04Å; L201-L250 HydrophobicContact CD1-CD2 4Å; L201-L260 HydrophobicContact CD2-CD2 3.87Å; L201-W264 HydrophobicContact CB-CE3 4.1Å; L201-W264 HydrophobicContact CB-CZ3 4.07Å; L201-H266 HydrophobicContact CD2-CB 3.69Å
202M97.4Very high96.2Very high0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-126.3131168.9-65-179.171.800109.5F179 F208 F226 P227 V230 P245 V247 I265F179-M202 HydrophobicContact CE1-CG 4.42Å; F179-M202 HydrophobicContact CE1-SD 4.32Å; M202-F208 HydrophobicContact CB-CD2 4.31Å; M202-F208 HydrophobicContact CE-CD1 4.11Å; M202-F208 HydrophobicContact CE-CD2 3.87Å; M202-F208 HydrophobicContact CE-CE1 4.09Å; M202-F208 HydrophobicContact CE-CE2 3.85Å; M202-F208 HydrophobicContact CE-CG 4.02Å; M202-F208 HydrophobicContact CE-CZ 3.96Å; M202-F226 HydrophobicContact CE-CE1 4.08Å; M202-F226 HydrophobicContact SD-CD1 3.76Å; M202-F226 HydrophobicContact SD-CE1 3.55Å; M202-F226 VanDerWaalsContact SD-CE1 3.55Å; M202-P227 HydrophobicContact SD-CG 4.06Å; M202-V230 HydrophobicContact CE-CG2 4.37Å; M202-P245 HydrophobicContact CE-CB 3.98Å; M202-V247 HydrophobicContact CG-CG2 4.02Å; M202-V247 HydrophobicContact SD-CG2 3.94Å; M202-I265 HydrophobicContact CB-CB 4.25Å; M202-I265 PolarHBondContact N-O 2.93Å; M202-I265 PolarHBondContact O-N 2.79Å; M202-I265 VanDerWaalsContact O-N 3.13Å
203P96.6Very high95.9Very high29 Ų2922.6 Ų22.619%0.18813%0.128CC..  trans-65.3148-177.927-34.4000111T205 F208 W264P203-T205 HydrophobicContact CB-CG2 4.41Å; P203-T205 HydrophobicContact CG-CG2 4.21Å; P203-T205 PolarHBondContact O-N 3.22Å; P203-F208 HydrophobicContact CG-CD2 4.27Å; P203-F208 HydrophobicContact CG-CE2 4.14Å; P203-F208 WeakPolarHBondContact O-CD2 3.34Å; P203-W264 HydrophobicContact CB-CH2 4.03Å; P203-W264 HydrophobicContact CB-CZ2 4.2Å; P203-W264 HydrophobicContact CB-CZ3 4.36Å
204P95.6Very high95.6Very high27 Ų2727.8 Ų27.818%0.17515%0.147CC..  trans-78.855.1-176.233.2-37.4000113.2V209 G263 W264 M289P204-V209 HydrophobicContact CB-CG2 4.08Å; P204-G263 WeakPolarHBondContact CB-O 3.47Å; P204-W264 HydrophobicContact CG-CG 4.46Å; P204-M289 HydrophobicContact CB-CE 3.92Å; P204-M289 HydrophobicContact CG-CE 4.35Å
205T94.9Very high95.3Very high49 Ų4925.4 Ų25.430%0.30114%0.138SC..  trans-66.4151.8175.168.80000110P203 E207 F208 V209P203-T205 HydrophobicContact CB-CG2 4.41Å; P203-T205 HydrophobicContact CG-CG2 4.21Å; P203-T205 PolarHBondContact O-N 3.22Å; T205-E207 PolarHBondContact O-N 3.46Å; T205-E207 VanDerWaalsContact O-N 3.12Å; T205-F208 HydrophobicContact CG2-CD2 4.4Å; T205-F208 PolarHBondContact O-N 3.35Å; T205-F208 VanDerWaalsContact O-N 3.15Å; T205-F208 WeakPolarHBondContact OG1-CD2 3.35Å; T205-F208 WeakPolarHBondContact OG1-CG 3.32Å; T205-F208 PolarHBondContact OG1-N 2.88Å; T205-F208 VanDerWaalsContact OG1-N 3.16Å; T205-V209 WeakPolarHBondContact O-CG2 3.43Å; T205-V209 PolarHBondContact O-N 2.86Å
206P92.6Very high94.8Very high87 Ų8724.7 Ų24.757%0.56513%0.131SC*.Hα-helixtrans-53.8-33.7176.6-28.435.7000113.8S210 R292P206-S210 WeakPolarHBondContact O-CB 3.42Å; P206-S210 PolarHBondContact O-N 3.22Å; P206-S210 PolarHBondContact O-OG 3.09Å; P206-R292 PolarHBondContact O-NH2 2.98Å
207E93.1Very high94.1Very high83 Ų8328.8 Ų28.839%0.38815%0.151SC..Hα-helixtrans-63.8-57.9174.3-174.1-162.5159.400111.4T205 V209 S210 A211 R234T205-E207 PolarHBondContact O-N 3.46Å; T205-E207 VanDerWaalsContact O-N 3.12Å; E207-V209 PolarHBondContact O-N 2.67Å; E207-S210 PolarHBondContact O-N 3.38Å; E207-S210 VanDerWaalsContact O-N 3.13Å; E207-A211 PolarHBondContact O-N 2.79Å; E207-R234 VanDerWaalsContact CD-NH2 3.25Å; E207-R234 IonicContact OE1-CZ 2.82Å; E207-R234 IonicContact OE1-NE 2.73Å; E207-R234 PolarHBondContact OE1-NE 3.01Å; E207-R234 IonicContact OE1-NH2 3.72Å; E207-R234 PolarHBondContact OE1-NH2 3.45Å; E207-R234 IonicContact OE2-CZ 3.18Å; E207-R234 IonicContact OE2-NH2 2.7Å; E207-R234 PolarHBondContact OE2-NH2 3.01Å
208F95.3Very high93.5Very high11 Ų1130.5 Ų30.55%0.04816%0.163CC..Hα-helixtrans-66.6-37.4-176.1-65.6-18000112.6M202 P203 T205 S210 A211 Y212 V230 R234 P245 I265M202-F208 HydrophobicContact CB-CD2 4.31Å; M202-F208 HydrophobicContact CE-CD1 4.11Å; M202-F208 HydrophobicContact CE-CD2 3.87Å; M202-F208 HydrophobicContact CE-CE1 4.09Å; M202-F208 HydrophobicContact CE-CE2 3.85Å; M202-F208 HydrophobicContact CE-CG 4.02Å; M202-F208 HydrophobicContact CE-CZ 3.96Å; P203-F208 HydrophobicContact CG-CD2 4.27Å; P203-F208 HydrophobicContact CG-CE2 4.14Å; P203-F208 WeakPolarHBondContact O-CD2 3.34Å; T205-F208 HydrophobicContact CG2-CD2 4.4Å; T205-F208 PolarHBondContact O-N 3.35Å; T205-F208 VanDerWaalsContact O-N 3.15Å; T205-F208 WeakPolarHBondContact OG1-CD2 3.35Å; T205-F208 WeakPolarHBondContact OG1-CG 3.32Å; T205-F208 PolarHBondContact OG1-N 2.88Å; T205-F208 VanDerWaalsContact OG1-N 3.16Å; F208-S210 VanDerWaalsContact C-N 3.31Å; F208-S210 PolarHBondContact O-N 3.21Å; F208-A211 PolarHBondContact O-N 3.26Å; F208-Y212 WeakPolarHBondContact O-CB 3.48Å; F208-Y212 PolarHBondContact O-N 3.11Å; F208-V230 HydrophobicContact CD1-CG1 3.79Å; F208-V230 HydrophobicContact CE1-CG1 3.62Å; F208-R234 VanDerWaalsContact CE1-NH2 3.34Å; F208-P245 HydrophobicContact CE1-CB 4.12Å; F208-P245 HydrophobicContact CZ-CB 4.09Å; F208-I265 HydrophobicContact CB-CD1 3.72Å
209V93.8Very high92.7Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-62.1-41.6173.8174.80000110.3I181 P204 T205 E207 Y212 W213 I265 I293I181-V209 HydrophobicContact CD1-CG2 4.5Å; P204-V209 HydrophobicContact CB-CG2 4.08Å; T205-V209 WeakPolarHBondContact O-CG2 3.43Å; T205-V209 PolarHBondContact O-N 2.86Å; E207-V209 PolarHBondContact O-N 2.67Å; V209-Y212 PolarHBondContact O-N 2.76Å; V209-W213 PolarHBondContact O-N 2.6Å; V209-I265 HydrophobicContact CG2-CD1 4.49Å; V209-I293 HydrophobicContact CG1-CD1 4.21Å
210S92.8Very high91.9Very high40 Ų4038.7 Ų38.728%0.2821%0.213SC..Hα-helixtrans-68.3-41.6178.2-55.20000111.8P206 E207 F208 Y212 W213 R214 R292P206-S210 WeakPolarHBondContact O-CB 3.42Å; P206-S210 PolarHBondContact O-N 3.22Å; P206-S210 PolarHBondContact O-OG 3.09Å; E207-S210 PolarHBondContact O-N 3.38Å; E207-S210 VanDerWaalsContact O-N 3.13Å; F208-S210 VanDerWaalsContact C-N 3.31Å; F208-S210 PolarHBondContact O-N 3.21Å; S210-Y212 VanDerWaalsContact C-N 3.35Å; S210-W213 PolarHBondContact O-N 2.91Å; S210-R214 WeakPolarHBondContact O-CG 3.36Å; S210-R214 PolarHBondContact O-N 3.24Å; S210-R214 VanDerWaalsContact O-N 3.15Å; S210-R292 PolarHBondContact OG-NH2 3.23Å
211A94.1Very high91Very high2 Ų239.1 Ų39.12%0.01722%0.215CC..Hα-helixtrans-62.8-40.5174.700000112E207 F208 W213 R214 W215 F226 F229 V230 L233E207-A211 PolarHBondContact O-N 2.79Å; F208-A211 PolarHBondContact O-N 3.26Å; A211-W213 VanDerWaalsContact C-N 3.35Å; A211-W213 PolarHBondContact O-N 3.06Å; A211-R214 PolarHBondContact O-N 3.18Å; A211-W215 WeakPolarHBondContact O-CB 3.22Å; A211-W215 PolarHBondContact O-N 3.11Å; A211-F226 HydrophobicContact CB-CE2 4.16Å; A211-F226 HydrophobicContact CB-CZ 4.4Å; A211-F229 WeakPolarHBondContact O-CE1 3.37Å; A211-V230 HydrophobicContact CB-CG2 3.84Å; A211-L233 HydrophobicContact CB-CD1 3.89Å
212Y94.5Very high90.2Very high6 Ų642.3 Ų42.32%0.02423%0.228CC..Hα-helixtrans-56.6-48176.6169.8-102.5000111.4H180 I181 F208 V209 S210 R214 W215 C216 I265H180-Y212 WeakPolarHBondContact CA-OH 3.41Å; I181-Y212 HydrophobicContact CB-CE1 4.22Å; I181-Y212 HydrophobicContact CD1-CD1 3.55Å; I181-Y212 HydrophobicContact CD1-CE1 3.83Å; I181-Y212 HydrophobicContact CD1-CG 4.14Å; I181-Y212 HydrophobicContact CG1-CD1 3.96Å; I181-Y212 HydrophobicContact CG1-CE1 3.84Å; I181-Y212 HydrophobicContact CG1-CG 4.37Å; I181-Y212 PolarHBondContact N-OH 3.15Å; F208-Y212 WeakPolarHBondContact O-CB 3.48Å; F208-Y212 PolarHBondContact O-N 3.11Å; V209-Y212 PolarHBondContact O-N 2.76Å; S210-Y212 VanDerWaalsContact C-N 3.35Å; Y212-R214 PolarHBondContact O-N 2.9Å; Y212-W215 HydrophobicContact CD2-CE3 4.23Å; Y212-W215 HydrophobicContact CE2-CE3 4.28Å; Y212-W215 HydrophobicContact CE2-CZ3 4.22Å; Y212-W215 WeakPolarHBondContact O-CB 3.34Å; Y212-W215 PolarHBondContact O-N 3.26Å; Y212-C216 WeakPolarHBondContact CE2-SG 3.41Å; Y212-C216 WeakPolarHBondContact O-CB 3.48Å; Y212-C216 PolarHBondContact O-N 3.15Å; Y212-C216 PolarHBondContact O-SG 3.4Å; Y212-I265 HydrophobicContact CD2-CG2 4.17Å
213W91.2Very high89.7Confident12 Ų1243.8 Ų43.85%0.04524%0.239CC..Hα-helixtrans-66.7-38.4178.7-65.5117.1000113V209 S210 A211 W215 C216 M217 I293 M296 E297V209-W213 PolarHBondContact O-N 2.6Å; S210-W213 PolarHBondContact O-N 2.91Å; A211-W213 VanDerWaalsContact C-N 3.35Å; A211-W213 PolarHBondContact O-N 3.06Å; W213-W215 VanDerWaalsContact C-N 3.32Å; W213-C216 PolarHBondContact O-N 3.48Å; W213-M217 HydrophobicContact CB-CE 4.49Å; W213-M217 WeakPolarHBondContact O-CE 3.3Å; W213-M217 WeakPolarHBondContact O-CG 3.46Å; W213-M217 PolarHBondContact O-N 3.44Å; W213-I293 HydrophobicContact CZ2-CD1 3.96Å; W213-I293 HydrophobicContact CZ2-CG2 4.18Å; W213-M296 HydrophobicContact CB-CE 3.44Å; W213-M296 VanDerWaalsContact CB-CE 3.44Å; W213-M296 HydrophobicContact CD2-CB 3.61Å; W213-M296 HydrophobicContact CD2-CE 4Å; W213-M296 HydrophobicContact CD2-CG 4.2Å; W213-M296 HydrophobicContact CE3-CB 4.14Å; W213-M296 HydrophobicContact CG-CB 4.08Å; W213-M296 HydrophobicContact CG-CE 3.34Å; W213-M296 HydrophobicContact CG-CG 4.17Å; W213-M296 HydrophobicContact CH2-CB 3.96Å; W213-M296 HydrophobicContact CZ2-CB 3.42Å; W213-M296 VanDerWaalsContact CZ2-CB 3.42Å; W213-M296 HydrophobicContact CZ2-CG 4.36Å; W213-M296 HydrophobicContact CZ3-CB 4.29Å; W213-E297 HydrophobicContact CH2-CG 3.88Å
214R91.5Very high89.4Confident118 Ų11844 Ų4445%0.44524%0.24SC..Hα-helixtrans-61.6-42.4172.7-69.3-177.9-168.2126-5.3111.6S210 A211 Y212 M217 S218 F229S210-R214 WeakPolarHBondContact O-CG 3.36Å; S210-R214 PolarHBondContact O-N 3.24Å; S210-R214 VanDerWaalsContact O-N 3.15Å; A211-R214 PolarHBondContact O-N 3.18Å; Y212-R214 PolarHBondContact O-N 2.9Å; R214-M217 PolarHBondContact O-N 2.92Å; R214-S218 PolarHBondContact O-N 3.02Å; R214-S218 VanDerWaalsContact O-N 3.16Å; R214-F229 HydrophobicContact CB-CE1 3.93Å; R214-F229 HydrophobicContact CB-CZ 3.97Å
215W92Very high89.3Confident1 Ų143.3 Ų43.30%0.00423%0.234CC..Hα-helixtrans-62-50176.1176.376.4000111F179 A211 Y212 W213 M217 S218 H221 T224 F226 F229 I462F179-W215 WeakPolarHBondContact O-CZ3 3.28Å; A211-W215 WeakPolarHBondContact O-CB 3.22Å; A211-W215 PolarHBondContact O-N 3.11Å; Y212-W215 HydrophobicContact CD2-CE3 4.23Å; Y212-W215 HydrophobicContact CE2-CE3 4.28Å; Y212-W215 HydrophobicContact CE2-CZ3 4.22Å; Y212-W215 WeakPolarHBondContact O-CB 3.34Å; Y212-W215 PolarHBondContact O-N 3.26Å; W213-W215 VanDerWaalsContact C-N 3.32Å; W215-M217 PolarHBondContact O-N 3.48Å; W215-S218 VanDerWaalsContact O-CB 3.23Å; W215-S218 WeakPolarHBondContact O-CB 3.12Å; W215-S218 PolarHBondContact O-N 2.85Å; W215-H221 HydrophobicContact CD2-CB 4.18Å; W215-H221 HydrophobicContact CG-CB 4.42Å; W215-H221 HydrophobicContact CZ2-CB 4.23Å; W215-H221 WeakPolarHBondContact CZ2-O 3.49Å; W215-H221 PolarHBondContact NE1-O 2.88Å; W215-H221 WeakPolarHBondContact O-CB 3.49Å; W215-T224 PolarHBondContact NE1-O 3.29Å; W215-F226 HydrophobicContact CB-CD2 3.76Å; W215-F226 HydrophobicContact CB-CE2 4.16Å; W215-F226 HydrophobicContact CD2-CB 4.08Å; W215-F226 AromaticContact CD2-CD2 3.98Å; W215-F226 HydrophobicContact CD2-CD2 3.98Å; W215-F226 HydrophobicContact CD2-CG 4.41Å; W215-F226 HydrophobicContact CE3-CB 4.43Å; W215-F226 HydrophobicContact CE3-CD2 4.27Å; W215-F226 HydrophobicContact CG-CB 4.42Å; W215-F226 AromaticContact CG-CD2 3.75Å; W215-F226 HydrophobicContact CG-CD2 3.75Å; W215-F226 HydrophobicContact CZ2-CB 4.32Å; W215-F229 HydrophobicContact CB-CD1 3.64Å; W215-F229 HydrophobicContact CB-CE1 3.76Å; W215-F229 HydrophobicContact CB-CG 4.18Å; W215-F229 HydrophobicContact CB-CZ 4.41Å; W215-F229 AromaticContact CD1-CG 3.88Å; W215-F229 HydrophobicContact CG-CD1 4.3Å; W215-F229 HydrophobicContact CG-CG 4.41Å; W215-I462 HydrophobicContact CH2-CD1 4.29Å; W215-I462 HydrophobicContact CZ3-CG2 4.37Å
216C86.3Confident89.2Confident1 Ų141 Ų411%0.00722%0.22CC..Hα-helixtrans-57.5-33.2177.2-72.90000113.4Y212 W213 P463Y212-C216 WeakPolarHBondContact CE2-SG 3.41Å; Y212-C216 WeakPolarHBondContact O-CB 3.48Å; Y212-C216 PolarHBondContact O-N 3.15Å; Y212-C216 PolarHBondContact O-SG 3.4Å; W213-C216 PolarHBondContact O-N 3.48Å; C216-P463 HydrophobicContact CB-CG 3.87Å; C216-P463 WeakPolarHBondContact O-CB 3.35Å; C216-P463 VanDerWaalsContact O-CG 3.31Å; C216-P463 WeakPolarHBondContact O-CG 3.47Å
217M84.2Confident89.3Confident114 Ų11436.9 Ų36.956%0.56219%0.193SC*.Hα-helixtrans-82.7-10.7177.6-68.5-174.8-69.400113.6W213 R214 W215W213-M217 HydrophobicContact CB-CE 4.49Å; W213-M217 WeakPolarHBondContact O-CE 3.3Å; W213-M217 WeakPolarHBondContact O-CG 3.46Å; W213-M217 PolarHBondContact O-N 3.44Å; R214-M217 PolarHBondContact O-N 2.92Å; W215-M217 PolarHBondContact O-N 3.48Å
218S85.4Confident89.4Confident36 Ų3635.1 Ų35.125%0.25219%0.187SC..SBendtrans-69.5133.1176.7176.80000110.9R214 W215 N220 H221R214-S218 PolarHBondContact O-N 3.02Å; R214-S218 VanDerWaalsContact O-N 3.16Å; W215-S218 VanDerWaalsContact O-CB 3.23Å; W215-S218 WeakPolarHBondContact O-CB 3.12Å; W215-S218 PolarHBondContact O-N 2.85Å; S218-N220 PolarHBondContact O-N 3.4Å; S218-N220 VanDerWaalsContact O-N 3.15Å; S218-N220 PolarHBondContact OG-N 3.33Å; S218-H221 WeakPolarHBondContact O-CB 2.99Å; S218-H221 PolarHBondContact O-CD2 3.07Å; S218-H221 VanDerWaalsContact O-CD2 3.24Å; S218-H221 PolarHBondContact O-N 3.29Å
219S81.9Confident89.3Confident84 Ų8436.1 Ų36.159%0.58719%0.191SC*.THydrogen-bonded Turntrans-60.1-24.6174.955.50000113.4
220N79.8Confident89.3Confident105 Ų10536.2 Ų36.256%0.56119%0.192SC*.THydrogen-bonded Turntrans-105.813.7-177-71.7-22.4000113.6S218 R222 A223 T224S218-N220 PolarHBondContact O-N 3.4Å; S218-N220 VanDerWaalsContact O-N 3.15Å; S218-N220 PolarHBondContact OG-N 3.33Å; N220-R222 PolarHBondContact O-N 3.48Å; N220-A223 WeakPolarHBondContact O-CA 3.45Å; N220-A223 PolarHBondContact O-N 2.91Å; N220-T224 PolarHBondContact O-N 2.93Å; N220-T224 PolarHBondContact O-OG1 2.95Å
221H80Confident89.2Confident15 Ų1535.2 Ų35.27%0.06918%0.183CC..G310 helixtrans-50.3-38.6-174.574.982.7000112.9W215 S218 A223 T224 I462 P463W215-H221 HydrophobicContact CD2-CB 4.18Å; W215-H221 HydrophobicContact CG-CB 4.42Å; W215-H221 HydrophobicContact CZ2-CB 4.23Å; W215-H221 WeakPolarHBondContact CZ2-O 3.49Å; W215-H221 PolarHBondContact NE1-O 2.88Å; W215-H221 WeakPolarHBondContact O-CB 3.49Å; S218-H221 WeakPolarHBondContact O-CB 2.99Å; S218-H221 PolarHBondContact O-CD2 3.07Å; S218-H221 VanDerWaalsContact O-CD2 3.24Å; S218-H221 PolarHBondContact O-N 3.29Å; H221-A223 VanDerWaalsContact C-N 3.25Å; H221-A223 PolarHBondContact O-N 3.35Å; H221-T224 CarbonylContact O-C 3.57Å; H221-T224 PolarHBondContact O-N 2.77Å; H221-I462 WeakPolarHBondContact CE1-CG2 3.18Å; H221-I462 WeakPolarHBondContact ND1-CG2 3.36Å; H221-P463 PolarHBondContact NE2-O 3.17Å
222R80.7Confident89Confident69 Ų6937.1 Ų37.126%0.2620%0.196SC..G310 helixtrans-65.9-23.9178.7-174.1178.4171.3179-1114.1L3 S4 R85 Q86 N220L3-R222 HydrophobicContact CB-CG 4.36Å; L3-R222 HydrophobicContact CD2-CG 4.27Å; S4-R222 PolarHBondContact N-O 3.49Å; S4-R222 PolarHBondContact OG-O 2.96Å; R85-R222 PolarHBondContact O-NH2 3.22Å; R85-R222 VanDerWaalsContact O-NH2 3.09Å; Q86-R222 PolarHBondContact O-NH1 3.18Å; Q86-R222 PolarHBondContact O-NH2 2.96Å; N220-R222 PolarHBondContact O-N 3.48Å
223A87Confident88.8Confident30 Ų3038 Ų3825%0.24820%0.201CC..G310 helixtrans-950.4176.500000112.2M1 L3 N220 H221M1-A223 WeakPolarHBondContact CB-O 3.11Å; L3-A223 HydrophobicContact CD2-CB 4.07Å; N220-A223 WeakPolarHBondContact O-CA 3.45Å; N220-A223 PolarHBondContact O-N 2.91Å; H221-A223 VanDerWaalsContact C-N 3.25Å; H221-A223 PolarHBondContact O-N 3.35Å
224T90.1Very high88.7Confident33 Ų3339.2 Ų39.220%0.20221%0.206CC..SBendtrans-123.4114.2-176.9-52.40000109.5W215 N220 H221 F226 F229W215-T224 PolarHBondContact NE1-O 3.29Å; N220-T224 PolarHBondContact O-N 2.93Å; N220-T224 PolarHBondContact O-OG1 2.95Å; H221-T224 CarbonylContact O-C 3.57Å; H221-T224 PolarHBondContact O-N 2.77Å; T224-F226 PolarHBondContact O-N 3.26Å; T224-F229 HydrophobicContact CG2-CB 3.79Å; T224-F229 HydrophobicContact CG2-CD2 4.24Å; T224-F229 HydrophobicContact CG2-CG 4.49Å
225F93.1Very high88.5Confident13 Ų1339.8 Ų39.86%0.05721%0.214CC..  trans-64.8124.6174-173.4-121.4000109.8F9 L13 R16 F18 F179 P227 D228 F229F9-F225 AromaticContact CE2-CD2 3.77Å; F9-F225 HydrophobicContact CE2-CD2 3.77Å; F9-F225 HydrophobicContact CE2-CE2 4.42Å; F9-F225 AromaticContact CZ-CD2 3.71Å; F9-F225 HydrophobicContact CZ-CD2 3.71Å; F9-F225 AromaticContact CZ-CE2 3.96Å; F9-F225 HydrophobicContact CZ-CE2 3.96Å; L13-F225 HydrophobicContact CD1-CE2 3.95Å; L13-F225 HydrophobicContact CD1-CZ 3.93Å; R16-F225 VanDerWaalsContact NH1-CD1 3.25Å; F18-F225 HydrophobicContact CE1-CE1 4.22Å; F18-F225 HydrophobicContact CE1-CZ 4.18Å; F18-F225 HydrophobicContact CZ-CE1 4.17Å; F18-F225 AromaticContact CZ-CZ 3.88Å; F18-F225 HydrophobicContact CZ-CZ 3.88Å; F179-F225 HydrophobicContact CD2-CE2 4.31Å; F179-F225 HydrophobicContact CE2-CD2 4.18Å; F179-F225 AromaticContact CE2-CE2 3.5Å; F179-F225 HydrophobicContact CE2-CE2 3.5Å; F179-F225 AromaticContact CE2-CZ 3.7Å; F179-F225 HydrophobicContact CE2-CZ 3.7Å; F179-F225 HydrophobicContact CZ-CE2 4.41Å; F179-F225 HydrophobicContact CZ-CZ 4.22Å; F225-P227 HydrophobicContact CD1-CB 3.98Å; F225-P227 HydrophobicContact CD1-CG 3.88Å; F225-P227 HydrophobicContact CE1-CB 3.79Å; F225-P227 HydrophobicContact CE1-CG 3.44Å; F225-P227 VanDerWaalsContact CE1-CG 3.44Å; F225-P227 HydrophobicContact CZ-CG 3.86Å; F225-D228 HydrophobicContact CB-CB 4.45Å; F225-D228 WeakPolarHBondContact O-CA 3.27Å; F225-D228 WeakPolarHBondContact O-CB 3.46Å; F225-D228 PolarHBondContact O-N 3.29Å; F225-F229 PolarHBondContact O-N 2.93Å; F225-F229 VanDerWaalsContact O-N 3.09Å
226F94.5Very high88.1Confident0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-53.2-45-170.5170.7-113.9000114.3F179 M202 A211 W215 T224 D228 F229 V230 I265F179-F226 HydrophobicContact CB-CB 4.03Å; F179-F226 HydrophobicContact CB-CD1 4.09Å; F179-F226 HydrophobicContact CB-CG 4.3Å; F179-F226 HydrophobicContact CD1-CD1 4.14Å; F179-F226 HydrophobicContact CD2-CB 3.76Å; F179-F226 HydrophobicContact CD2-CD1 4.35Å; F179-F226 HydrophobicContact CE2-CB 4.46Å; F179-F226 HydrophobicContact CG-CB 4.02Å; F179-F226 AromaticContact CG-CD1 3.93Å; F179-F226 HydrophobicContact CG-CD1 3.93Å; F179-F226 HydrophobicContact CG-CG 4.38Å; M202-F226 HydrophobicContact CE-CE1 4.08Å; M202-F226 HydrophobicContact SD-CD1 3.76Å; M202-F226 HydrophobicContact SD-CE1 3.55Å; M202-F226 VanDerWaalsContact SD-CE1 3.55Å; A211-F226 HydrophobicContact CB-CE2 4.16Å; A211-F226 HydrophobicContact CB-CZ 4.4Å; W215-F226 HydrophobicContact CB-CD2 3.76Å; W215-F226 HydrophobicContact CB-CE2 4.16Å; W215-F226 HydrophobicContact CD2-CB 4.08Å; W215-F226 AromaticContact CD2-CD2 3.98Å; W215-F226 HydrophobicContact CD2-CD2 3.98Å; W215-F226 HydrophobicContact CD2-CG 4.41Å; W215-F226 HydrophobicContact CE3-CB 4.43Å; W215-F226 HydrophobicContact CE3-CD2 4.27Å; W215-F226 HydrophobicContact CG-CB 4.42Å; W215-F226 AromaticContact CG-CD2 3.75Å; W215-F226 HydrophobicContact CG-CD2 3.75Å; W215-F226 HydrophobicContact CZ2-CB 4.32Å; T224-F226 PolarHBondContact O-N 3.26Å; F226-D228 VanDerWaalsContact C-N 3.25Å; F226-D228 PolarHBondContact O-N 3.21Å; F226-F229 WeakPolarHBondContact O-CA 3.31Å; F226-F229 VanDerWaalsContact O-CB 3.3Å; F226-F229 WeakPolarHBondContact O-CB 3.07Å; F226-F229 PolarHBondContact O-N 2.93Å; F226-V230 HydrophobicContact CD2-CG2 4.15Å; F226-V230 HydrophobicContact CE1-CG2 4.05Å; F226-V230 HydrophobicContact CE2-CG2 3.53Å; F226-V230 HydrophobicContact CZ-CG2 3.49Å; F226-V230 VanDerWaalsContact CZ-CG2 3.49Å; F226-V230 PolarHBondContact O-N 3.06Å; F226-I265 HydrophobicContact CD1-CG2 4.09Å; F226-I265 HydrophobicContact CE1-CD1 4.33Å; F226-I265 HydrophobicContact CE1-CG2 3.71Å; F226-I265 HydrophobicContact CZ-CD1 4.39Å
227P94.7Very high87.8Confident1 Ų152.8 Ų52.81%0.00627%0.274CS..Hα-helixtrans-56.9-35.1173.9-29.736.7000114.4F179 M202 F225 F229 V230 D231 P245 V247F179-P227 HydrophobicContact CE2-CG 3.73Å; F179-P227 HydrophobicContact CZ-CG 3.68Å; M202-P227 HydrophobicContact SD-CG 4.06Å; F225-P227 HydrophobicContact CD1-CB 3.98Å; F225-P227 HydrophobicContact CD1-CG 3.88Å; F225-P227 HydrophobicContact CE1-CB 3.79Å; F225-P227 HydrophobicContact CE1-CG 3.44Å; F225-P227 VanDerWaalsContact CE1-CG 3.44Å; F225-P227 HydrophobicContact CZ-CG 3.86Å; P227-F229 VanDerWaalsContact C-N 3.35Å; P227-V230 PolarHBondContact O-N 2.57Å; P227-D231 PolarHBondContact O-N 3.37Å; P227-P245 VanDerWaalsContact O-CG 3.22Å; P227-P245 WeakPolarHBondContact O-CG 3.41Å; P227-V247 HydrophobicContact CB-CG2 3.67Å; P227-V247 HydrophobicContact CG-CG2 3.46Å; P227-V247 VanDerWaalsContact CG-CG2 3.46Å
228D93.5Very high87Confident47 Ų4749.5 Ų49.525%0.25126%0.263SS..Hα-helixtrans-74.1-30.6177.3-60.5-22.4000111.3R16 F225 F226 D231 S232R16-D228 IonicContact CZ-OD1 2.68Å; R16-D228 VanDerWaalsContact NH1-CG 3.27Å; R16-D228 IonicContact NH1-OD1 3.72Å; R16-D228 PolarHBondContact NH1-OD1 3.31Å; R16-D228 IonicContact NH1-OD2 2.9Å; R16-D228 PolarHBondContact NH1-OD2 3.15Å; R16-D228 IonicContact NH2-OD1 3.59Å; R16-D228 PolarHBondContact NH2-OD1 3.33Å; F225-D228 HydrophobicContact CB-CB 4.45Å; F225-D228 WeakPolarHBondContact O-CA 3.27Å; F225-D228 WeakPolarHBondContact O-CB 3.46Å; F225-D228 PolarHBondContact O-N 3.29Å; F226-D228 VanDerWaalsContact C-N 3.25Å; F226-D228 PolarHBondContact O-N 3.21Å; D228-D231 PolarHBondContact O-N 3.43Å; D228-S232 PolarHBondContact O-N 2.83Å; D228-S232 PolarHBondContact O-OG 3.1Å
229F93.4Very high85.7Confident32 Ų3255.9 Ų55.914%0.1429%0.294CS..Hα-helixtrans-66-38.6170.5-178-98.4000112A211 R214 W215 T224 F225 F226 P227 S232 L233A211-F229 WeakPolarHBondContact O-CE1 3.37Å; R214-F229 HydrophobicContact CB-CE1 3.93Å; R214-F229 HydrophobicContact CB-CZ 3.97Å; W215-F229 HydrophobicContact CB-CD1 3.64Å; W215-F229 HydrophobicContact CB-CE1 3.76Å; W215-F229 HydrophobicContact CB-CG 4.18Å; W215-F229 HydrophobicContact CB-CZ 4.41Å; W215-F229 AromaticContact CD1-CG 3.88Å; W215-F229 HydrophobicContact CG-CD1 4.3Å; W215-F229 HydrophobicContact CG-CG 4.41Å; T224-F229 HydrophobicContact CG2-CB 3.79Å; T224-F229 HydrophobicContact CG2-CD2 4.24Å; T224-F229 HydrophobicContact CG2-CG 4.49Å; F225-F229 PolarHBondContact O-N 2.93Å; F225-F229 VanDerWaalsContact O-N 3.09Å; F226-F229 WeakPolarHBondContact O-CA 3.31Å; F226-F229 VanDerWaalsContact O-CB 3.3Å; F226-F229 WeakPolarHBondContact O-CB 3.07Å; F226-F229 PolarHBondContact O-N 2.93Å; P227-F229 VanDerWaalsContact C-N 3.35Å; F229-S232 PolarHBondContact O-OG 3.27Å; F229-L233 HydrophobicContact CD1-CD1 3.96Å; F229-L233 HydrophobicContact CD1-CG 4.42Å; F229-L233 HydrophobicContact CE1-CD1 3.47Å; F229-L233 VanDerWaalsContact CE1-CD1 3.47Å; F229-L233 HydrophobicContact CE1-CG 4.08Å; F229-L233 HydrophobicContact CZ-CD1 4.03Å; F229-L233 HydrophobicContact CZ-CD2 4.4Å; F229-L233 HydrophobicContact CZ-CG 4.29Å; F229-L233 WeakPolarHBondContact O-CG 3.32Å; F229-L233 PolarHBondContact O-N 3.47Å; F229-L233 VanDerWaalsContact O-N 3.13Å
230V93.4Very high84.6Confident2 Ų256.2 Ų56.21%0.01230%0.296CS..Hα-helixtrans-67-41.7174.9177.30000110.8M202 F208 A211 F226 P227 L233 R234 P245M202-V230 HydrophobicContact CE-CG2 4.37Å; F208-V230 HydrophobicContact CD1-CG1 3.79Å; F208-V230 HydrophobicContact CE1-CG1 3.62Å; A211-V230 HydrophobicContact CB-CG2 3.84Å; F226-V230 HydrophobicContact CD2-CG2 4.15Å; F226-V230 HydrophobicContact CE1-CG2 4.05Å; F226-V230 HydrophobicContact CE2-CG2 3.53Å; F226-V230 HydrophobicContact CZ-CG2 3.49Å; F226-V230 VanDerWaalsContact CZ-CG2 3.49Å; F226-V230 PolarHBondContact O-N 3.06Å; P227-V230 PolarHBondContact O-N 2.57Å; V230-L233 PolarHBondContact O-N 2.73Å; V230-R234 WeakPolarHBondContact O-CG 3.29Å; V230-R234 PolarHBondContact O-N 3.31Å; V230-R234 VanDerWaalsContact O-N 3.13Å; V230-P245 HydrophobicContact CB-CB 4.2Å; V230-P245 HydrophobicContact CB-CG 3.99Å; V230-P245 HydrophobicContact CG1-CB 3.75Å; V230-P245 HydrophobicContact CG1-CG 3.95Å
231D91.9Very high83.7Confident19 Ų1959.4 Ų59.410%0.10231%0.313CS..Hα-helixtrans-59.4-46.3176.8-149.827.6000110.9P227 D228 L233 R234 E235 R244 P245P227-D231 PolarHBondContact O-N 3.37Å; D228-D231 PolarHBondContact O-N 3.43Å; D231-L233 PolarHBondContact O-N 2.9Å; D231-R234 WeakPolarHBondContact O-CB 3.23Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 VanDerWaalsContact O-N 3.14Å; D231-E235 WeakPolarHBondContact O-CG 3.5Å; D231-E235 PolarHBondContact O-N 3.16Å; D231-R244 WeakPolarHBondContact OD2-CG 3.15Å; D231-R244 IonicContact OD2-NE 3.89Å; D231-R244 PolarHBondContact OD2-NE 3.4Å; D231-R244 VanDerWaalsContact OD2-NE 3.17Å; D231-P245 HydrophobicContact CB-CG 4.19Å; D231-P245 VanDerWaalsContact OD1-CD 3.28Å; D231-P245 WeakPolarHBondContact OD1-CD 3.45Å
232S90.1Very high83.2Confident41 Ų4161.4 Ų61.429%0.28733%0.327SS..Hα-helixtrans-66.4-34.6179.470.70000113.7D228 F229 R234 E235 Q236D228-S232 PolarHBondContact O-N 2.83Å; D228-S232 PolarHBondContact O-OG 3.1Å; F229-S232 PolarHBondContact O-OG 3.27Å; S232-R234 VanDerWaalsContact C-N 3.35Å; S232-E235 PolarHBondContact O-N 3.4Å; S232-Q236 VanDerWaalsContact O-CG 3.3Å; S232-Q236 WeakPolarHBondContact O-CG 3.16Å; S232-Q236 PolarHBondContact O-N 3.05Å; S232-Q236 VanDerWaalsContact O-N 3.11Å
233L90.4Very high83Confident25 Ų2564.8 Ų64.813%0.13135%0.35CS..Hα-helixtrans-63.8-40.5172.1-73.6179.1000111.7A211 F229 V230 D231 Q236 E237A211-L233 HydrophobicContact CB-CD1 3.89Å; F229-L233 HydrophobicContact CD1-CD1 3.96Å; F229-L233 HydrophobicContact CD1-CG 4.42Å; F229-L233 HydrophobicContact CE1-CD1 3.47Å; F229-L233 VanDerWaalsContact CE1-CD1 3.47Å; F229-L233 HydrophobicContact CE1-CG 4.08Å; F229-L233 HydrophobicContact CZ-CD1 4.03Å; F229-L233 HydrophobicContact CZ-CD2 4.4Å; F229-L233 HydrophobicContact CZ-CG 4.29Å; F229-L233 WeakPolarHBondContact O-CG 3.32Å; F229-L233 PolarHBondContact O-N 3.47Å; F229-L233 VanDerWaalsContact O-N 3.13Å; V230-L233 PolarHBondContact O-N 2.73Å; D231-L233 PolarHBondContact O-N 2.9Å; L233-Q236 PolarHBondContact O-N 3.37Å; L233-E237 WeakPolarHBondContact O-CG 3.34Å; L233-E237 PolarHBondContact O-N 2.84Å
234R89.2Confident82.9Confident38 Ų3871.9 Ų71.914%0.14337%0.37CS..Hα-helixtrans-65.1-42.2177.3-73.6175.7168-164.6-5.7112E207 F208 V230 D231 S232 Q236 E237 S238 V242 N243E207-R234 VanDerWaalsContact CD-NH2 3.25Å; E207-R234 IonicContact OE1-CZ 2.82Å; E207-R234 IonicContact OE1-NE 2.73Å; E207-R234 PolarHBondContact OE1-NE 3.01Å; E207-R234 IonicContact OE1-NH2 3.72Å; E207-R234 PolarHBondContact OE1-NH2 3.45Å; E207-R234 IonicContact OE2-CZ 3.18Å; E207-R234 IonicContact OE2-NH2 2.7Å; E207-R234 PolarHBondContact OE2-NH2 3.01Å; F208-R234 VanDerWaalsContact CE1-NH2 3.34Å; V230-R234 WeakPolarHBondContact O-CG 3.29Å; V230-R234 PolarHBondContact O-N 3.31Å; V230-R234 VanDerWaalsContact O-N 3.13Å; D231-R234 WeakPolarHBondContact O-CB 3.23Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 VanDerWaalsContact O-N 3.14Å; S232-R234 VanDerWaalsContact C-N 3.35Å; R234-Q236 VanDerWaalsContact C-N 3.26Å; R234-Q236 PolarHBondContact O-N 3.27Å; R234-E237 PolarHBondContact O-N 3.04Å; R234-S238 WeakPolarHBondContact O-CB 3.46Å; R234-S238 PolarHBondContact O-N 3.21Å; R234-V242 HydrophobicContact CB-CB 4.4Å; R234-V242 HydrophobicContact CB-CG1 4.36Å; R234-V242 HydrophobicContact CG-CG1 4.33Å; R234-N243 PolarHBondContact NH1-O 3.42Å
235E85.9Confident82.9Confident130 Ų13071 Ų7161%0.60737%0.365SS*.Hα-helixtrans-61.7-34.2175.4-71.1177.3171.200112.3D231 S232D231-E235 WeakPolarHBondContact O-CG 3.5Å; D231-E235 PolarHBondContact O-N 3.16Å; S232-E235 PolarHBondContact O-N 3.4Å
236Q83.6Confident82.8Confident136 Ų13673.1 Ų73.164%0.63638%0.379SS*.Hα-helixtrans-75.6-38.1177.4-73.6177.4-7.700113.3S232 L233 R234S232-Q236 VanDerWaalsContact O-CG 3.3Å; S232-Q236 WeakPolarHBondContact O-CG 3.16Å; S232-Q236 PolarHBondContact O-N 3.05Å; S232-Q236 VanDerWaalsContact O-N 3.11Å; L233-Q236 PolarHBondContact O-N 3.37Å; R234-Q236 VanDerWaalsContact C-N 3.26Å; R234-Q236 PolarHBondContact O-N 3.27Å
237E80.5Confident83Confident138 Ų13873.4 Ų73.465%0.64538%0.381SS*.Hα-helixtrans-81.8-27.3-177.3-71.1179.717700112.7L233 R234L233-E237 WeakPolarHBondContact O-CG 3.34Å; L233-E237 PolarHBondContact O-N 2.84Å; R234-E237 PolarHBondContact O-N 3.04Å
238S67.2Low83.1Confident45 Ų4575.2 Ų75.232%0.31539%0.388SS..  trans-121.1114.2-176.7-610000110.5R234 S240 V242R234-S238 WeakPolarHBondContact O-CB 3.46Å; R234-S238 PolarHBondContact O-N 3.21Å; S238-S240 PolarHBondContact O-N 3.39Å; S238-V242 VanDerWaalsContact CB-CG2 3.45Å
239N58.8Low83.3Confident171 Ų17174.8 Ų74.891%0.91439%0.388SS*.SBendtrans-65.629.9165.3-80.4-19000112.4
240S58.5Low83.5Confident90 Ų9073.8 Ų73.863%0.62938%0.384SS*.SBendtrans-147.8149.8-167.4-62.50000110.1S238 V242S238-S240 PolarHBondContact O-N 3.39Å; S240-V242 PolarHBondContact O-N 2.8Å
241N61.7Low83.7Confident172 Ų17280.2 Ų80.292%0.9241%0.408SS*.  trans-66.673.8-174.5-149.316.9000111.3
242V67.9Low84Confident58 Ų5879.3 Ų79.335%0.35240%0.403SS..PPolyproline II helixtrans-72.7136176.5-177.50000108.5R234 S238 S240 R244R234-V242 HydrophobicContact CB-CB 4.4Å; R234-V242 HydrophobicContact CB-CG1 4.36Å; R234-V242 HydrophobicContact CG-CG1 4.33Å; S238-V242 VanDerWaalsContact CB-CG2 3.45Å; S240-V242 PolarHBondContact O-N 2.8Å; V242-R244 PolarHBondContact O-N 3.19Å
243N78.1Confident84.4Confident139 Ų13980.7 Ų80.774%0.74341%0.407SS*.PPolyproline II helixtrans-55.8135.9175.7-70.6-27.3000110.3R234R234-N243 PolarHBondContact NH1-O 3.42Å
244R83.7Confident84.7Confident180 Ų18083 Ų8368%0.67942%0.424SS*.PPolyproline II helixtrans-51.7146.8173-71.4-164.4164.6143.23.8111.6D231 V242 T246D231-R244 WeakPolarHBondContact OD2-CG 3.15Å; D231-R244 IonicContact OD2-NE 3.89Å; D231-R244 PolarHBondContact OD2-NE 3.4Å; D231-R244 VanDerWaalsContact OD2-NE 3.17Å; V242-R244 PolarHBondContact O-N 3.19Å; R244-T246 PolarHBondContact O-N 2.98Å
245P90.1Very high85.1Confident15 Ų1582.4 Ų82.410%0.09743%0.429CS..PPolyproline II helixtrans-60124.3174.925.2-32.5000110.2M202 F208 P227 V230 D231 V247M202-P245 HydrophobicContact CE-CB 3.98Å; F208-P245 HydrophobicContact CE1-CB 4.12Å; F208-P245 HydrophobicContact CZ-CB 4.09Å; P227-P245 VanDerWaalsContact O-CG 3.22Å; P227-P245 WeakPolarHBondContact O-CG 3.41Å; V230-P245 HydrophobicContact CB-CB 4.2Å; V230-P245 HydrophobicContact CB-CG 3.99Å; V230-P245 HydrophobicContact CG1-CB 3.75Å; V230-P245 HydrophobicContact CG1-CG 3.95Å; D231-P245 HydrophobicContact CB-CG 4.19Å; D231-P245 VanDerWaalsContact OD1-CD 3.28Å; D231-P245 WeakPolarHBondContact OD1-CD 3.45Å; P245-V247 PolarHBondContact O-N 3.36Å
246T92.7Very high85.7Confident56 Ų5677.4 Ų77.434%0.34441%0.406SS..PPolyproline II helixtrans-76.3125.1176.7-51.80000110.1T19 R244 Y248T19-T246 HydrophobicContact CG2-CG2 4.25Å; R244-T246 PolarHBondContact O-N 2.98Å; T246-Y248 HydrophobicContact CG2-CD1 4.12Å; T246-Y248 HydrophobicContact CG2-CD2 4.49Å; T246-Y248 HydrophobicContact CG2-CE1 3.56Å; T246-Y248 HydrophobicContact CG2-CE2 3.98Å; T246-Y248 VanDerWaalsContact CG2-CZ 3.49Å
247V96.8Very high86.4Confident7 Ų770.9 Ų70.94%0.04238%0.375CS..  trans-111.8124172179.60000107.8F18 T19 F179 Y200 M202 P227 P245F18-V247 HydrophobicContact CD1-CB 3.74Å; F18-V247 HydrophobicContact CD1-CG1 3.77Å; F18-V247 HydrophobicContact CE1-CB 4.07Å; F18-V247 HydrophobicContact CE1-CG1 3.94Å; F18-V247 HydrophobicContact CE1-CG2 4.48Å; T19-V247 PolarHBondContact N-O 3.04Å; F179-V247 HydrophobicContact CZ-CG1 4.28Å; Y200-V247 HydrophobicContact CD1-CG1 4.44Å; M202-V247 HydrophobicContact CG-CG2 4.02Å; M202-V247 HydrophobicContact SD-CG2 3.94Å; P227-V247 HydrophobicContact CB-CG2 3.67Å; P227-V247 HydrophobicContact CG-CG2 3.46Å; P227-V247 VanDerWaalsContact CG-CG2 3.46Å; P245-V247 PolarHBondContact O-N 3.36Å
248Y97.6Very high87.2Confident38 Ų3864.4 Ų64.415%0.14935%0.345CS..EExtended strand (participates in β ladder)trans-94127.4-177.6-60.5-76.5000110.8T19 Q24 Y200 L201 T246T19-Y248 HydrophobicContact CG2-CD1 4.08Å; T19-Y248 HydrophobicContact CG2-CE1 4.04Å; T19-Y248 CarbonylContact O-C 3.53Å; T19-Y248 WeakPolarHBondContact O-CA 3.09Å; Q24-Y248 HydrophobicContact CB-CD1 4.38Å; Q24-Y248 HydrophobicContact CB-CD2 4.43Å; Q24-Y248 HydrophobicContact CB-CG 4.33Å; Q24-Y248 HydrophobicContact CG-CD1 3.65Å; Q24-Y248 HydrophobicContact CG-CD2 3.88Å; Q24-Y248 HydrophobicContact CG-CE1 3.37Å; Q24-Y248 HydrophobicContact CG-CE2 3.61Å; Q24-Y248 HydrophobicContact CG-CG 3.89Å; Y200-Y248 CarbonylContact C-O 3.6Å; Y200-Y248 WeakPolarHBondContact CA-O 3.45Å; L201-Y248 PolarHBondContact N-O 3.26Å; L201-Y248 PolarHBondContact O-N 3.09Å; T246-Y248 HydrophobicContact CG2-CD1 4.12Å; T246-Y248 HydrophobicContact CG2-CD2 4.49Å; T246-Y248 HydrophobicContact CG2-CE1 3.56Å; T246-Y248 HydrophobicContact CG2-CE2 3.98Å; T246-Y248 VanDerWaalsContact CG2-CZ 3.49Å
249C97.8Very high88.7Confident39 Ų3962.2 Ų62.226%0.26433%0.33SS..EExtended strand (participates in β ladder)trans-98.8122.9178.9-176.20000110.1F18 T19 A21 V198 F199F18-C249 HydrophobicContact CB-CB 3.75Å; T19-C249 PolarHBondContact O-N 2.98Å; A21-C249 WeakPolarHBondContact CB-O 3.18Å; A21-C249 PolarHBondContact N-O 3.4Å; A21-C249 VanDerWaalsContact N-O 3.14Å; V198-C249 VanDerWaalsContact CG1-SG 3.52Å; F199-C249 WeakPolarHBondContact O-CA 3.33Å
250L97.7Very high90.6Very high11 Ų1154.2 Ų54.26%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-128.3122179.8-178.364000110.7A21 V25 L48 V198 F199 L201 I252 I258A21-L250 HydrophobicContact CB-CB 3.71Å; A21-L250 HydrophobicContact CB-CD1 4.14Å; A21-L250 HydrophobicContact CB-CG 4.4Å; V25-L250 HydrophobicContact CG1-CD2 4.29Å; V25-L250 HydrophobicContact CG2-CD1 4.18Å; V25-L250 HydrophobicContact CG2-CD2 3.75Å; V25-L250 HydrophobicContact CG2-CG 4.46Å; L48-L250 HydrophobicContact CD2-CD1 4.36Å; V198-L250 CarbonylContact C-O 3.59Å; V198-L250 WeakPolarHBondContact CA-O 3.44Å; F199-L250 HydrophobicContact CB-CB 4.43Å; F199-L250 PolarHBondContact N-O 3.12Å; F199-L250 PolarHBondContact O-N 3.49Å; L201-L250 HydrophobicContact CD1-CB 4.04Å; L201-L250 HydrophobicContact CD1-CD2 4Å; L250-I252 HydrophobicContact CD2-CD1 3.69Å; L250-I252 HydrophobicContact CG-CD1 3.71Å; L250-I258 HydrophobicContact CD2-CD1 3.53Å
251R97.7Very high92.5Very high137 Ų13750.1 Ų50.152%0.51726%0.258SS..EExtended strand (participates in β ladder)trans-95128.9175.2-166.4176-163.3166.66.1110.5E196 K197 V198 L253E196-R251 IonicContact OE1-CZ 3.27Å; E196-R251 IonicContact OE1-NE 3.91Å; E196-R251 IonicContact OE1-NH2 3.11Å; E196-R251 PolarHBondContact OE1-NH2 3.15Å; E196-R251 IonicContact OE2-CZ 3.58Å; E196-R251 IonicContact OE2-NE 3.47Å; E196-R251 PolarHBondContact OE2-NE 3.3Å; E196-R251 IonicContact OE2-NH2 2.7Å; E196-R251 PolarHBondContact OE2-NH2 2.9Å; K197-R251 WeakPolarHBondContact O-CA 3.49Å; V198-R251 HydrophobicContact CG2-CG 4.15Å; R251-L253 HydrophobicContact CG-CD2 4.01Å
252I98Very high94.2Very high0 Ų042.2 Ų42.20%022%0.216CC..EExtended strand (participates in β ladder)trans-109.5117.6177.3-45.2-60.6000108.6L48 V192 E196 K197 F199 L250 Q256 I258L48-I252 HydrophobicContact CD1-CD1 3.68Å; V192-I252 HydrophobicContact CB-CG2 4.46Å; V192-I252 HydrophobicContact CG2-CB 4.08Å; V192-I252 HydrophobicContact CG2-CG2 3.56Å; E196-I252 WeakPolarHBondContact CA-O 3.34Å; E196-I252 WeakPolarHBondContact CB-O 3.24Å; K197-I252 PolarHBondContact N-O 2.7Å; K197-I252 VanDerWaalsContact N-O 3.08Å; K197-I252 PolarHBondContact O-N 2.81Å; F199-I252 HydrophobicContact CD2-CG1 3.65Å; F199-I252 HydrophobicContact CE2-CG1 3.77Å; L250-I252 HydrophobicContact CD2-CD1 3.69Å; L250-I252 HydrophobicContact CG-CD1 3.71Å; I252-Q256 HydrophobicContact CG2-CB 3.92Å; I252-I258 HydrophobicContact CD1-CB 4.02Å; I252-I258 HydrophobicContact CD1-CD1 4.11Å; I252-I258 HydrophobicContact CD1-CG2 4.19Å; I252-I258 HydrophobicContact CG1-CG2 4.24Å
253L98.1Very high95.6Very high70 Ų7039.5 Ų39.537%0.36620%0.201SC..  trans-96.4166.8-175.3-58.1178.4000111.7E196 R251 G255 Q256E196-L253 HydrophobicContact CB-CD2 4.49Å; R251-L253 HydrophobicContact CG-CD2 4.01Å; L253-G255 PolarHBondContact O-N 2.75Å; L253-Q256 HydrophobicContact CB-CG 4.18Å; L253-Q256 VanDerWaalsContact O-CB 3.26Å; L253-Q256 WeakPolarHBondContact O-CB 3.37Å; L253-Q256 WeakPolarHBondContact O-CG 3.15Å; L253-Q256 PolarHBondContact O-N 3.17Å; L253-Q256 VanDerWaalsContact O-N 3.12Å
254P97.6Very high96.5Very high73 Ų7333.4 Ų33.447%0.47417%0.167SC..THydrogen-bonded Turntrans-51.8138.9175.2-25.933.8000113.1G195 Q256G195-P254 WeakPolarHBondContact O-CD 3.41Å; G195-P254 WeakPolarHBondContact O-CG 3.42Å; P254-Q256 PolarHBondContact O-N 3.21Å
255G97.1Very high97.2Very high25 Ų2524.8 Ų24.826%0.25814%0.135SC..THydrogen-bonded Turntrans77.8-8.8-17900000114.9H191 V192 L253H191-G255 PolarHBondContact CE1-O 3.13Å; V192-G255 PolarHBondContact O-N 2.93Å; L253-G255 PolarHBondContact O-N 2.75Å
256Q98.2Very high97.5Very high25 Ų2524.5 Ų24.512%0.11713%0.132CC..  trans-83.7150.5177.2-56.5-172.6-25.900111.5L48 V49 H191 V192 I252 L253 P254L48-Q256 HydrophobicContact CD1-CB 4.24Å; V49-Q256 WeakPolarHBondContact O-CA 3.31Å; H191-Q256 PolarHBondContact ND1-O 3.45Å; V192-Q256 PolarHBondContact N-O 3.43Å; V192-Q256 VanDerWaalsContact N-O 3.14Å; I252-Q256 HydrophobicContact CG2-CB 3.92Å; L253-Q256 HydrophobicContact CB-CG 4.18Å; L253-Q256 VanDerWaalsContact O-CB 3.26Å; L253-Q256 WeakPolarHBondContact O-CB 3.37Å; L253-Q256 WeakPolarHBondContact O-CG 3.15Å; L253-Q256 PolarHBondContact O-N 3.17Å; L253-Q256 VanDerWaalsContact O-N 3.12Å; P254-Q256 PolarHBondContact O-N 3.21Å
257T98.6Very high97.7Very high0 Ų021.8 Ų21.80%012%0.115CC..EExtended strand (participates in β ladder)trans-126.1128.3176.4-45.90000109.4V49 L55 P130 Y190 H191 F259V49-T257 PolarHBondContact N-O 3.38Å; V49-T257 PolarHBondContact O-N 3.49Å; L55-T257 HydrophobicContact CD1-CG2 4.14Å; P130-T257 HydrophobicContact CG-CG2 4.42Å; Y190-T257 CarbonylContact O-C 3.56Å; Y190-T257 VanDerWaalsContact O-CA 3.3Å; Y190-T257 WeakPolarHBondContact O-CA 3.43Å; H191-T257 HydrophobicContact CB-CG2 4.28Å; H191-T257 PolarHBondContact ND1-OG1 3.42Å; T257-F259 HydrophobicContact CG2-CE2 4.1Å; T257-F259 HydrophobicContact CG2-CZ 4.17Å
258I98.3Very high97.7Very high1 Ų121.9 Ų21.91%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-106.7140.3170.1-176178.2000110.2P46 V47 L48 W189 Y190 F199 L250 I252 L260P46-I258 HydrophobicContact CB-CD1 4.36Å; V47-I258 CarbonylContact O-C 3.56Å; V47-I258 VanDerWaalsContact O-CA 3.32Å; V47-I258 WeakPolarHBondContact O-CA 3.47Å; L48-I258 HydrophobicContact CD1-CB 4.44Å; W189-I258 CarbonylContact C-O 3.57Å; W189-I258 WeakPolarHBondContact CA-O 3.44Å; Y190-I258 HydrophobicContact CD1-CG2 4.43Å; Y190-I258 HydrophobicContact CG-CG2 4.37Å; Y190-I258 PolarHBondContact N-O 3.09Å; Y190-I258 PolarHBondContact O-N 3.36Å; F199-I258 HydrophobicContact CE2-CG2 4.49Å; F199-I258 HydrophobicContact CZ-CG2 4.41Å; L250-I258 HydrophobicContact CD2-CD1 3.53Å; I252-I258 HydrophobicContact CD1-CB 4.02Å; I252-I258 HydrophobicContact CD1-CD1 4.11Å; I252-I258 HydrophobicContact CD1-CG2 4.19Å; I252-I258 HydrophobicContact CG1-CG2 4.24Å; I258-L260 HydrophobicContact CD1-CD2 3.66Å; I258-L260 HydrophobicContact CD1-CG 4.13Å; I258-L260 HydrophobicContact CG1-CD2 4.26Å; I258-L260 HydrophobicContact CG1-CG 4.4Å
259F98.6Very high97.7Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-109.5122.5165-57.7-93.2000109.3V33 F38 F43 P46 V47 V49 L55 P130 V132 V133 V188 W189 T257V33-F259 HydrophobicContact CG1-CE2 4.13Å; V33-F259 HydrophobicContact CG1-CZ 4.2Å; F38-F259 HydrophobicContact CE2-CB 4.27Å; F38-F259 HydrophobicContact CE2-CD1 4.34Å; F38-F259 HydrophobicContact CE2-CG 4.24Å; F38-F259 HydrophobicContact CZ-CB 4.18Å; F38-F259 HydrophobicContact CZ-CD1 4.38Å; F38-F259 HydrophobicContact CZ-CD2 4.12Å; F38-F259 AromaticContact CZ-CG 3.98Å; F38-F259 HydrophobicContact CZ-CG 3.98Å; F43-F259 HydrophobicContact CE2-CB 3.82Å; F43-F259 HydrophobicContact CZ-CB 3.73Å; P46-F259 WeakPolarHBondContact CA-O 3.49Å; V47-F259 HydrophobicContact CB-CB 4.22Å; V47-F259 HydrophobicContact CB-CD2 4.29Å; V47-F259 HydrophobicContact CG1-CD2 4.37Å; V47-F259 PolarHBondContact N-O 3.24Å; V47-F259 PolarHBondContact O-N 2.69Å; V49-F259 HydrophobicContact CG2-CD2 4.26Å; V49-F259 HydrophobicContact CG2-CE2 3.85Å; L55-F259 HydrophobicContact CD2-CE2 4.22Å; L55-F259 HydrophobicContact CD2-CZ 4.22Å; P130-F259 HydrophobicContact CB-CE1 3.94Å; P130-F259 HydrophobicContact CB-CZ 3.69Å; P130-F259 HydrophobicContact CG-CE1 3.92Å; P130-F259 HydrophobicContact CG-CZ 3.76Å; V132-F259 HydrophobicContact CG1-CD1 4.35Å; V132-F259 HydrophobicContact CG1-CE1 3.52Å; V132-F259 HydrophobicContact CG1-CZ 3.73Å; V133-F259 HydrophobicContact CG2-CE1 4.28Å; V188-F259 CarbonylContact O-C 3.35Å; V188-F259 WeakPolarHBondContact O-CA 3.41Å; W189-F259 HydrophobicContact CB-CD1 3.74Å; W189-F259 HydrophobicContact CB-CE1 3.72Å; T257-F259 HydrophobicContact CG2-CE2 4.1Å; T257-F259 HydrophobicContact CG2-CZ 4.17Å
260L98Very high97.8Very high3 Ų319.2 Ų19.22%0.01610%0.1CC..EExtended strand (participates in β ladder)trans-100127.2174.6-67.9174.3000110P46 S187 V188 F199 L201 I258P46-L260 HydrophobicContact CB-CD2 4.03Å; P46-L260 HydrophobicContact CG-CD2 3.95Å; S187-L260 CarbonylContact C-O 3.58Å; S187-L260 VanDerWaalsContact CA-O 3.23Å; S187-L260 WeakPolarHBondContact CA-O 3.19Å; S187-L260 WeakPolarHBondContact CB-O 3.38Å; V188-L260 HydrophobicContact CB-CB 4.2Å; V188-L260 PolarHBondContact N-O 3.03Å; V188-L260 PolarHBondContact O-N 2.69Å; F199-L260 HydrophobicContact CD1-CD1 4.2Å; F199-L260 HydrophobicContact CE1-CD1 3.91Å; L201-L260 HydrophobicContact CD2-CD2 3.87Å; I258-L260 HydrophobicContact CD1-CD2 3.66Å; I258-L260 HydrophobicContact CD1-CG 4.13Å; I258-L260 HydrophobicContact CG1-CD2 4.26Å; I258-L260 HydrophobicContact CG1-CG 4.4Å
261P98.1Very high97.8Very high4 Ų419.8 Ų19.83%0.02610%0.104CC..PPolyproline II helixtrans-66.9165.4172.4-21.432000113.4F43 K45 G263F43-P261 HydrophobicContact CD2-CB 4.5Å; F43-P261 HydrophobicContact CD2-CG 3.88Å; F43-P261 HydrophobicContact CE2-CB 4.42Å; F43-P261 HydrophobicContact CE2-CG 3.74Å; F43-P261 HydrophobicContact CG-CG 4.41Å; F43-P261 HydrophobicContact CZ-CB 4.44Å; F43-P261 HydrophobicContact CZ-CG 4.18Å; F43-P261 WeakPolarHBondContact O-CB 3.33Å; F43-P261 WeakPolarHBondContact O-CG 3.41Å; K45-P261 VanDerWaalsContact C-CG 3.43Å; K45-P261 WeakPolarHBondContact O-CG 3.44Å; P261-G263 PolarHBondContact O-N 2.71Å
262S97.8Very high97.7Very high5 Ų515 Ų154%0.0359%0.092CC..THydrogen-bonded Turntrans-54.2133.4175-179.50000112.2G185 S187 W264 H286 M289G185-S262 WeakPolarHBondContact O-CA 3.39Å; G185-S262 WeakPolarHBondContact O-CB 3.46Å; G185-S262 PolarHBondContact O-OG 3.08Å; S187-S262 PolarHBondContact OG-N 2.83Å; S262-W264 VanDerWaalsContact C-N 3.35Å; S262-W264 PolarHBondContact O-N 2.94Å; S262-H286 WeakPolarHBondContact CB-ND1 3.42Å; S262-M289 WeakPolarHBondContact OG-CG 3.37Å
263G96.7Very high97.7Very high2 Ų217.1 Ų17.12%0.02110%0.103CC..THydrogen-bonded Turntrans87.2-12.7169.400000116P204 P261 I265P204-G263 WeakPolarHBondContact CB-O 3.47Å; P261-G263 PolarHBondContact O-N 2.71Å; G263-I265 PolarHBondContact O-N 3.39Å
264W97.8Very high97.7Very high10 Ų1013.8 Ų13.84%0.0389%0.086CC..  trans-56.8122.1-177.8-84.771.4000111.4S44 P46 L201 P203 P204 S262 H266S44-W264 PolarHBondContact O-NE1 3.04Å; S44-W264 VanDerWaalsContact O-NE1 3.08Å; P46-W264 HydrophobicContact CG-CD2 3.94Å; P46-W264 HydrophobicContact CG-CE3 3.8Å; P46-W264 HydrophobicContact CG-CH2 3.96Å; P46-W264 HydrophobicContact CG-CZ2 4.13Å; P46-W264 HydrophobicContact CG-CZ3 3.79Å; L201-W264 HydrophobicContact CB-CE3 4.1Å; L201-W264 HydrophobicContact CB-CZ3 4.07Å; P203-W264 HydrophobicContact CB-CH2 4.03Å; P203-W264 HydrophobicContact CB-CZ2 4.2Å; P203-W264 HydrophobicContact CB-CZ3 4.36Å; P204-W264 HydrophobicContact CG-CG 4.46Å; S262-W264 VanDerWaalsContact C-N 3.35Å; S262-W264 PolarHBondContact O-N 2.94Å; W264-H266 PolarHBondContact O-ND1 2.99Å; W264-H266 VanDerWaalsContact O-ND1 3.15Å
265I97.8Very high97.8Very high0 Ų010.3 Ų10.30%06%0.063CC..EExtended strand (participates in β ladder)trans-83123.9-179.1-58.6153.9000107.3F179 H180 I181 M202 F208 V209 Y212 F226 G263F179-I265 HydrophobicContact CB-CG2 4.24Å; F179-I265 HydrophobicContact CD1-CG2 3.96Å; H180-I265 WeakPolarHBondContact O-CA 3.23Å; I181-I265 HydrophobicContact CD1-CD1 4.47Å; I181-I265 HydrophobicContact CD1-CG1 3.69Å; I181-I265 HydrophobicContact CG1-CB 4.35Å; I181-I265 HydrophobicContact CG1-CG1 3.57Å; M202-I265 HydrophobicContact CB-CB 4.25Å; M202-I265 PolarHBondContact N-O 2.93Å; M202-I265 PolarHBondContact O-N 2.79Å; M202-I265 VanDerWaalsContact O-N 3.13Å; F208-I265 HydrophobicContact CB-CD1 3.72Å; V209-I265 HydrophobicContact CG2-CD1 4.49Å; Y212-I265 HydrophobicContact CD2-CG2 4.17Å; F226-I265 HydrophobicContact CD1-CG2 4.09Å; F226-I265 HydrophobicContact CE1-CD1 4.33Å; F226-I265 HydrophobicContact CE1-CG2 3.71Å; F226-I265 HydrophobicContact CZ-CD1 4.39Å; G263-I265 PolarHBondContact O-N 3.39Å
266H97.5Very high97.8Very high8 Ų89.1 Ų9.14%0.0375%0.051CC..EExtended strand (participates in β ladder)trans-148.1147-174.267.8-74.2000114.6F179 H180 D182 F199 Y200 L201 W264F179-H266 CarbonylContact C-O 3.55Å; F179-H266 VanDerWaalsContact CA-O 3.29Å; F179-H266 WeakPolarHBondContact CA-O 3.11Å; H180-H266 AromaticContact CD2-CE1 3.92Å; H180-H266 AromaticContact CE1-CD2 3.82Å; H180-H266 AromaticContact CE1-CE1 3.83Å; H180-H266 AromaticContact CE1-NE2 3.38Å; H180-H266 PolarHBondContact CE1-NE2 3.25Å; H180-H266 PolarHBondContact N-O 2.94Å; H180-H266 PolarHBondContact ND1-O 3.35Å; H180-H266 VanDerWaalsContact ND1-O 3.11Å; H180-H266 AromaticContact NE2-CE1 3.51Å; H180-H266 AromaticContact NE2-NE2 3.29Å; H180-H266 PolarHBondContact NE2-NE2 3.2Å; H180-H266 PolarHBondContact O-N 3.16Å; H180-H266 PolarHBondContact O-ND1 3.12Å; D182-H266 IonicContact OD2-CE1 2.79Å; D182-H266 PolarHBondContact OD2-CE1 3.16Å; D182-H266 IonicContact OD2-NE2 2.67Å; F199-H266 AromaticContact CD1-CD2 3.91Å; F199-H266 AromaticContact CE1-CD2 3.93Å; Y200-H266 CarbonylContact O-C 3.58Å; Y200-H266 WeakPolarHBondContact O-CA 3.23Å; L201-H266 HydrophobicContact CD2-CB 3.69Å; W264-H266 PolarHBondContact O-ND1 2.99Å; W264-H266 VanDerWaalsContact O-ND1 3.15Å
267A96.5Very high97.8Very high0 Ų07.9 Ų7.90%05%0.045CC..EExtended strand (participates in β ladder)trans-116.4156167.800000109.8Y176 T177 F179 F199 Y200Y176-A267 HydrophobicContact CE2-CB 3.99Å; T177-A267 CarbonylContact O-C 3.57Å; T177-A267 WeakPolarHBondContact O-CA 3.42Å; T177-A267 WeakPolarHBondContact O-CB 3.44Å; F179-A267 HydrophobicContact CB-CB 4.49Å; F179-A267 HydrophobicContact CD1-CB 3.84Å; F179-A267 HydrophobicContact CD2-CB 3.8Å; F179-A267 HydrophobicContact CE1-CB 3.95Å; F179-A267 HydrophobicContact CE2-CB 3.91Å; F179-A267 HydrophobicContact CG-CB 3.79Å; F179-A267 HydrophobicContact CZ-CB 3.99Å; F199-A267 WeakPolarHBondContact CA-O 3.5Å; Y200-A267 HydrophobicContact CD2-CB 4.26Å; Y200-A267 PolarHBondContact N-O 3.15Å; Y200-A267 PolarHBondContact O-N 3.38Å
268V97Very high97.7Very high9 Ų98 Ų86%0.0555%0.046CC..EExtended strand (participates in β ladder)trans-132.9121.5-175.4-172.50000111.3Y176 T177 K197 V198 F199Y176-V268 CarbonylContact C-O 3.56Å; Y176-V268 WeakPolarHBondContact CA-O 3.47Å; T177-V268 PolarHBondContact N-O 3.25Å; T177-V268 PolarHBondContact O-N 2.73Å; K197-V268 HydrophobicContact CB-CG1 4.17Å; K197-V268 HydrophobicContact CD-CG1 3.75Å; K197-V268 HydrophobicContact CG-CG1 4.37Å; V198-V268 CarbonylContact O-C 3.59Å; V198-V268 WeakPolarHBondContact O-CA 3.45Å; F199-V268 HydrophobicContact CD1-CG2 3.78Å; F199-V268 HydrophobicContact CE1-CG2 3.64Å; F199-V268 HydrophobicContact CE2-CG1 4.37Å; F199-V268 HydrophobicContact CG-CG2 4.31Å; F199-V268 HydrophobicContact CZ-CG1 4.48Å; F199-V268 HydrophobicContact CZ-CG2 4.07Å
269Y97.8Very high97.6Very high21 Ų218 Ų88%0.0825%0.047CC..EExtended strand (participates in β ladder)trans-103.4147.9169.2173.9-110.1000111.3V10 L14 S175 V198 P271V10-Y269 HydrophobicContact CG1-CD2 4.28Å; V10-Y269 HydrophobicContact CG1-CE2 3.6Å; L14-Y269 HydrophobicContact CD1-CE1 4.34Å; L14-Y269 HydrophobicContact CD2-CD1 3.89Å; L14-Y269 HydrophobicContact CD2-CE1 3.56Å; L14-Y269 HydrophobicContact CG-CE1 4.46Å; S175-Y269 CarbonylContact O-C 3.58Å; V198-Y269 HydrophobicContact CB-CD1 4.44Å; V198-Y269 HydrophobicContact CG2-CD1 4.46Å; V198-Y269 PolarHBondContact N-O 3.43Å; V198-Y269 PolarHBondContact O-N 3.32Å; Y269-P271 HydrophobicContact CD1-CB 4.37Å; Y269-P271 HydrophobicContact CD1-CG 3.8Å; Y269-P271 HydrophobicContact CE1-CB 3.72Å; Y269-P271 HydrophobicContact CE1-CG 3.67Å; Y269-P271 WeakPolarHBondContact O-CD 3.45Å
270T98.2Very high97.6Very high0 Ų08.1 Ų8.10%05%0.047CC..  trans-120.193.1-175.5-45.50000110.6G174 S175 K197 S272 C274G174-T270 PolarHBondContact N-O 2.9Å; S175-T270 WeakPolarHBondContact O-CB 3.5Å; S175-T270 PolarHBondContact O-N 3.24Å; S175-T270 PolarHBondContact O-OG1 3.15Å; K197-T270 HydrophobicContact CD-CG2 4Å; K197-T270 PolarHBondContact NZ-OG1 2.89Å; T270-S272 VanDerWaalsContact C-N 3.33Å; T270-S272 WeakPolarHBondContact CG2-O 3.23Å; T270-S272 PolarHBondContact O-N 3.28Å; T270-C274 HydrophobicContact CG2-CB 3.67Å
271P97.8Very high97.6Very high22 Ų228 Ų814%0.1435%0.047CC..SBendtrans-73.2-20.5-173-10.921.8000115.2K173 E196 V198 Y269K173-P271 WeakPolarHBondContact CD-O 3.48Å; K173-P271 WeakPolarHBondContact CE-O 2.98Å; K173-P271 VanDerWaalsContact CG-O 3.3Å; K173-P271 WeakPolarHBondContact CG-O 3.4Å; E196-P271 HydrophobicContact CG-CB 4.34Å; E196-P271 HydrophobicContact CG-CG 4.1Å; E196-P271 WeakPolarHBondContact O-CD 3.27Å; E196-P271 VanDerWaalsContact OE1-CB 3.29Å; E196-P271 WeakPolarHBondContact OE1-CB 3.08Å; V198-P271 HydrophobicContact CG2-CG 3.65Å; Y269-P271 HydrophobicContact CD1-CB 4.37Å; Y269-P271 HydrophobicContact CD1-CG 3.8Å; Y269-P271 HydrophobicContact CE1-CB 3.72Å; Y269-P271 HydrophobicContact CE1-CG 3.67Å; Y269-P271 WeakPolarHBondContact O-CD 3.45Å
272S97.5Very high97.6Very high36 Ų367.8 Ų7.825%0.2525%0.045SC..SBendtrans-137.6163.8174.261.70000109.7G195 E196 T270 C274G195-S272 WeakPolarHBondContact CA-OG 3.47Å; E196-S272 VanDerWaalsContact CG-OG 3.32Å; E196-S272 WeakPolarHBondContact CG-OG 3.38Å; E196-S272 PolarHBondContact N-OG 2.86Å; T270-S272 VanDerWaalsContact C-N 3.33Å; T270-S272 WeakPolarHBondContact CG2-O 3.23Å; T270-S272 PolarHBondContact O-N 3.28Å; S272-C274 PolarHBondContact O-N 2.94Å
273D97.6Very high97.5Very high45 Ų457.6 Ų7.624%0.2414%0.044CC..  trans-52.9131170.4-74.1-8.7000109.3F101 R106 S171 M172 K173 W194 G195F101-D273 HydrophobicContact CE1-CB 4.12Å; F101-D273 HydrophobicContact CZ-CB 3.71Å; R106-D273 IonicContact CZ-OD1 2.9Å; R106-D273 IonicContact CZ-OD2 2.73Å; R106-D273 IonicContact NH1-OD1 3.18Å; R106-D273 PolarHBondContact NH1-OD1 3.32Å; R106-D273 IonicContact NH1-OD2 3.64Å; R106-D273 PolarHBondContact NH1-OD2 3.08Å; R106-D273 IonicContact NH2-OD1 2.75Å; R106-D273 IonicContact NH2-OD2 3.81Å; R106-D273 PolarHBondContact NH2-OD2 2.84Å; S171-D273 WeakPolarHBondContact O-CA 3.18Å; M172-D273 WeakPolarHBondContact CA-OD1 3.08Å; K173-D273 PolarHBondContact N-OD1 3.16Å; W194-D273 VanDerWaalsContact CZ3-C 3.43Å; W194-D273 HydrophobicContact CZ3-CB 4.05Å; W194-D273 WeakPolarHBondContact CZ3-O 3.33Å; G195-D273 WeakPolarHBondContact CA-O 3.45Å
274C98.1Very high97.6Very high0 Ų08.2 Ų8.20%05%0.05CC..EExtended strand (participates in β ladder)trans-140.6135.3-167.5-171.80000111.7S171 W194 T270 S272S171-C274 PolarHBondContact N-O 3Å; S171-C274 PolarHBondContact O-N 3.43Å; W194-C274 WeakPolarHBondContact O-CA 3Å; W194-C274 PolarHBondContact O-SG 3.26Å; W194-C274 VanDerWaalsContact O-SG 3.37Å; T270-C274 HydrophobicContact CG2-CB 3.67Å; S272-C274 PolarHBondContact O-N 2.94Å
275L98Very high97.5Very high0 Ų08.4 Ų8.40%05%0.052CC..EExtended strand (participates in β ladder)trans-119.3132.6168.7-176149.5000109.6F64 L69 L169 L170 M193 W194 F277F64-L275 HydrophobicContact CD1-CD1 4.27Å; F64-L275 HydrophobicContact CE1-CD1 4.11Å; L69-L275 HydrophobicContact CD1-CD1 4.21Å; L69-L275 HydrophobicContact CD2-CD1 4.46Å; L69-L275 HydrophobicContact CG-CD1 4.45Å; L169-L275 WeakPolarHBondContact O-CA 2.99Å; L170-L275 HydrophobicContact CD1-CB 4.39Å; L170-L275 HydrophobicContact CD1-CD1 4.41Å; M193-L275 HydrophobicContact CB-CD2 3.65Å; M193-L275 WeakPolarHBondContact CB-O 3.5Å; M193-L275 HydrophobicContact CG-CD2 3.55Å; M193-L275 PolarHBondContact N-O 2.68Å; W194-L275 HydrophobicContact CD2-CB 3.79Å; W194-L275 HydrophobicContact CE3-CB 4.2Å; W194-L275 HydrophobicContact CG-CB 4.49Å; W194-L275 HydrophobicContact CH2-CB 3.68Å; W194-L275 HydrophobicContact CZ2-CB 3.23Å; W194-L275 HydrophobicContact CZ2-CD1 3.78Å; W194-L275 HydrophobicContact CZ2-CG 4.13Å; W194-L275 HydrophobicContact CZ3-CB 4.15Å; W194-L275 PolarHBondContact O-N 2.89Å; W194-L275 VanDerWaalsContact O-N 3.11Å; L275-F277 HydrophobicContact CD2-CD2 4.37Å; L275-F277 HydrophobicContact CD2-CE2 3.86Å; L275-F277 HydrophobicContact CD2-CZ 4.09Å
276V98Very high97.4Very high0 Ų09.7 Ų9.70%06%0.058CC..EExtended strand (participates in β ladder)trans-133.6144.8-175.1161.90000109.3L169 Y190 H191 V192 K197L169-V276 HydrophobicContact CB-CB 4.1Å; L169-V276 HydrophobicContact CB-CG1 4.49Å; L169-V276 HydrophobicContact CD1-CG1 4.19Å; L169-V276 HydrophobicContact CD2-CG1 4.4Å; L169-V276 PolarHBondContact N-O 2.92Å; L169-V276 PolarHBondContact O-N 3.15Å; Y190-V276 HydrophobicContact CD1-CB 4.46Å; Y190-V276 HydrophobicContact CD1-CG1 3.5Å; Y190-V276 VanDerWaalsContact CD1-CG1 3.5Å; Y190-V276 HydrophobicContact CD1-CG2 4.14Å; Y190-V276 HydrophobicContact CD2-CG1 3.96Å; Y190-V276 HydrophobicContact CE1-CB 3.82Å; Y190-V276 HydrophobicContact CE1-CG1 3.25Å; Y190-V276 HydrophobicContact CE1-CG2 3.27Å; Y190-V276 HydrophobicContact CE2-CG1 3.77Å; Y190-V276 HydrophobicContact CG-CG1 3.83Å; Y190-V276 WeakPolarHBondContact OH-CG2 3.4Å; H191-V276 VanDerWaalsContact O-CA 3.27Å; H191-V276 WeakPolarHBondContact O-CA 3.49Å; H191-V276 WeakPolarHBondContact O-CG1 3.44Å; V192-V276 HydrophobicContact CB-CG2 4.28Å; V192-V276 HydrophobicContact CG2-CG2 3.88Å; K197-V276 HydrophobicContact CG-CG2 4.47Å
277F97.4Very high97.4Very high0 Ų09.5 Ų9.50%06%0.057CC..EExtended strand (participates in β ladder)trans-105.8136.9159.1-67.5-65.3000109.9V59 P60 F64 F117 L123 V127 Y167 C168 W189 H191 M193 L275V59-F277 HydrophobicContact CB-CD2 4.31Å; V59-F277 HydrophobicContact CG1-CD2 3.88Å; P60-F277 HydrophobicContact CG-CE2 4.05Å; P60-F277 HydrophobicContact CG-CZ 4.2Å; F64-F277 HydrophobicContact CE1-CZ 4.4Å; F117-F277 AromaticContact CE1-CD1 3.82Å; F117-F277 HydrophobicContact CE1-CD1 3.82Å; F117-F277 HydrophobicContact CE1-CE1 4.01Å; F117-F277 AromaticContact CZ-CD1 3.79Å; F117-F277 HydrophobicContact CZ-CD1 3.79Å; F117-F277 AromaticContact CZ-CE1 3.95Å; F117-F277 HydrophobicContact CZ-CE1 3.95Å; L123-F277 HydrophobicContact CD1-CZ 4.37Å; L123-F277 HydrophobicContact CD2-CE1 4Å; L123-F277 HydrophobicContact CD2-CZ 4.38Å; V127-F277 HydrophobicContact CG1-CB 4.22Å; V127-F277 HydrophobicContact CG1-CD1 4.21Å; V127-F277 HydrophobicContact CG1-CG 4.1Å; V127-F277 HydrophobicContact CG2-CD1 3.93Å; V127-F277 HydrophobicContact CG2-CD2 4.26Å; V127-F277 HydrophobicContact CG2-CE1 3.76Å; V127-F277 HydrophobicContact CG2-CE2 4.11Å; V127-F277 HydrophobicContact CG2-CG 4.17Å; V127-F277 HydrophobicContact CG2-CZ 3.85Å; Y167-F277 WeakPolarHBondContact O-CA 3.48Å; C168-F277 HydrophobicContact CB-CD1 4.24Å; C168-F277 HydrophobicContact CB-CE1 3.95Å; W189-F277 HydrophobicContact CH2-CB 3.97Å; W189-F277 HydrophobicContact CZ3-CB 4.18Å; W189-F277 WeakPolarHBondContact CZ3-O 3.32Å; H191-F277 PolarHBondContact N-O 2.93Å; H191-F277 PolarHBondContact O-N 3.33Å; M193-F277 HydrophobicContact CE-CE2 4.5Å; M193-F277 HydrophobicContact CG-CD2 3.52Å; M193-F277 HydrophobicContact CG-CE2 3.64Å; M193-F277 HydrophobicContact SD-CD2 3.91Å; M193-F277 HydrophobicContact SD-CE2 4.02Å; L275-F277 HydrophobicContact CD2-CD2 4.37Å; L275-F277 HydrophobicContact CD2-CE2 3.86Å; L275-F277 HydrophobicContact CD2-CZ 4.09Å
278G97.3Very high97.4Very high2 Ų212.9 Ų12.92%0.0218%0.081CC..EExtended strand (participates in β ladder)trans-154.4-174.7178.800000112.7K166 Y167 W189K166-G278 CarbonylContact C-O 3.52Å; K166-G278 WeakPolarHBondContact CA-O 3.3Å; Y167-G278 PolarHBondContact N-O 3.35Å; Y167-G278 PolarHBondContact O-N 3.22Å; W189-G278 VanDerWaalsContact CZ2-O 3.27Å; W189-G278 WeakPolarHBondContact CZ2-O 3.17Å; W189-G278 CarbonylContact O-C 3.54Å; W189-G278 WeakPolarHBondContact O-CA 3.27Å
279G96.8Very high97.4Very high2 Ų214.3 Ų14.32%0.0219%0.087CC..EExtended strand (participates in β ladder)trans177.9162.5178.400000112.6V164 V188 W189V164-G279 WeakPolarHBondContact O-CA 3.48Å; V188-G279 WeakPolarHBondContact CA-O 3.41Å; W189-G279 PolarHBondContact N-O 3.46Å; W189-G279 VanDerWaalsContact NE1-CA 3.28Å; W189-G279 PolarHBondContact O-N 2.89Å
280N97.9Very high97.4Very high2 Ų213.3 Ų13.31%0.0118%0.084CC..EExtended strand (participates in β ladder)trans-110.2148.1-176.9-6472.2000109.9V164 Y167 F183 S186 S187 V188V164-N280 HydrophobicContact CB-CB 4.4Å; V164-N280 HydrophobicContact CG2-CB 4.3Å; V164-N280 PolarHBondContact O-N 3.28Å; Y167-N280 WeakPolarHBondContact CE2-OD1 3.46Å; F183-N280 HydrophobicContact CE1-CB 4.49Å; F183-N280 HydrophobicContact CE2-CB 4.11Å; F183-N280 HydrophobicContact CZ-CB 3.71Å; F183-N280 VanDerWaalsContact CZ-CG 3.49Å; S186-N280 PolarHBondContact OG-ND2 2.82Å; S187-N280 CarbonylContact O-C 3.59Å; S187-N280 VanDerWaalsContact O-CA 3.27Å; S187-N280 WeakPolarHBondContact O-CA 3.37Å; V188-N280 WeakPolarHBondContact CG2-ND2 3.2Å
281F97.8Very high97.4Very high0 Ų014.1 Ų14.10%09%0.088CC..EExtended strand (participates in β ladder)trans-148.9141.517361.6-79.4000111F43 V133 L136 S187F43-F281 HydrophobicContact CE1-CE2 4.43Å; F43-F281 HydrophobicContact CE1-CZ 4.03Å; V133-F281 HydrophobicContact CG1-CB 4.1Å; V133-F281 HydrophobicContact CG1-CD1 3.88Å; V133-F281 HydrophobicContact CG1-CG 4.01Å; V133-F281 HydrophobicContact CG2-CD1 4.25Å; V133-F281 HydrophobicContact CG2-CE1 4.11Å; L136-F281 HydrophobicContact CB-CD2 4.39Å; L136-F281 HydrophobicContact CB-CE2 4.13Å; L136-F281 HydrophobicContact CD1-CE2 4.41Å; S187-F281 PolarHBondContact N-O 3.11Å; S187-F281 WeakPolarHBondContact O-CD1 3.31Å; S187-F281 PolarHBondContact O-N 3.15Å
282L98.2Very high97.3Very high0 Ų017.2 Ų17.20%010%0.097CC..  trans-84.1146.7165.5-61.6170.7000108.3S137 L138 Q290 F308 F311 V314S137-L282 CarbonylContact C-O 3.58Å; S137-L282 VanDerWaalsContact CA-O 3.31Å; S137-L282 WeakPolarHBondContact CA-O 3.46Å; L138-L282 HydrophobicContact CB-CB 4.27Å; L138-L282 HydrophobicContact CD1-CB 3.94Å; L138-L282 HydrophobicContact CG-CB 4.05Å; L138-L282 PolarHBondContact N-O 2.88Å; L282-Q290 HydrophobicContact CD2-CB 4.35Å; L282-Q290 HydrophobicContact CD2-CG 3.8Å; L282-F308 HydrophobicContact CD1-CD1 3.86Å; L282-F308 HydrophobicContact CD1-CD2 4.16Å; L282-F308 HydrophobicContact CD1-CE1 3.74Å; L282-F308 HydrophobicContact CD1-CE2 4.03Å; L282-F308 HydrophobicContact CD1-CG 4.1Å; L282-F308 HydrophobicContact CD1-CZ 3.83Å; L282-F308 HydrophobicContact CD2-CD2 4.23Å; L282-F308 HydrophobicContact CD2-CE2 4.33Å; L282-F308 HydrophobicContact CG-CD2 3.99Å; L282-F308 HydrophobicContact CG-CE1 4.29Å; L282-F308 HydrophobicContact CG-CE2 3.68Å; L282-F308 HydrophobicContact CG-CG 4.43Å; L282-F308 HydrophobicContact CG-CZ 3.86Å; L282-F311 HydrophobicContact CD1-CD2 3.86Å; L282-F311 HydrophobicContact CD1-CE2 4.03Å; L282-F311 HydrophobicContact CD2-CD2 4.35Å; L282-F311 HydrophobicContact CD2-CE2 3.91Å; L282-V314 HydrophobicContact CD1-CB 4.43Å; L282-V314 HydrophobicContact CD1-CG1 4.06Å
283S97.1Very high97.2Very high0 Ų015.5 Ų15.50%09%0.085CC..BIsolated β-bridgetrans-136.1150.217878.30000112L285 H286 Q290S283-L285 PolarHBondContact O-N 2.94Å; S283-L285 VanDerWaalsContact O-N 3.1Å; S283-H286 PolarHBondContact O-N 3.39Å; S283-Q290 PolarHBondContact O-NE2 2.79Å; S283-Q290 PolarHBondContact O-OE1 3.02Å
284G96.8Very high97.1Very high15 Ų1513.9 Ų13.916%0.1558%0.075CC..THydrogen-bonded Turntrans-64.1-11175.200000114.5Y318G284-Y318 WeakPolarHBondContact CA-OH 3.24Å
285L96.5Very high96.9Very high14 Ų1417.5 Ų17.57%0.0739%0.089CC..THydrogen-bonded Turntrans-73-28-179.5-62.7175.8000113.1F38 K39 F43 L136 S283 F339F38-L285 HydrophobicContact CB-CD1 4.3Å; K39-L285 HydrophobicContact CB-CD2 4.41Å; K39-L285 HydrophobicContact CG-CD2 3.75Å; F43-L285 HydrophobicContact CB-CD1 3.87Å; F43-L285 HydrophobicContact CD1-CD1 4.4Å; L136-L285 HydrophobicContact CD1-CD1 4.44Å; L136-L285 HydrophobicContact CD2-CD1 4.43Å; S283-L285 PolarHBondContact O-N 2.94Å; S283-L285 VanDerWaalsContact O-N 3.1Å; L285-F339 HydrophobicContact CD2-CB 4.37Å; L285-F339 HydrophobicContact CD2-CD1 4.47Å; L285-F339 HydrophobicContact CD2-CD2 3.75Å; L285-F339 HydrophobicContact CD2-CE2 4.16Å; L285-F339 HydrophobicContact CD2-CG 3.94Å
286H96.5Very high96.5Very high28 Ų2819.5 Ų19.513%0.1310%0.099CC..SBendtrans-130.629.1-167.2-53.3137.8000113.1G42 F43 S262 S283 S288 M289 Q290G42-H286 PolarHBondContact O-NE2 3.13Å; F43-H286 AromaticContact CD1-CE1 3.74Å; F43-H286 PolarHBondContact O-CE1 2.85Å; F43-H286 PolarHBondContact O-NE2 3.08Å; S262-H286 WeakPolarHBondContact CB-ND1 3.42Å; S283-H286 PolarHBondContact O-N 3.39Å; H286-S288 PolarHBondContact O-N 3.1Å; H286-M289 HydrophobicContact CB-CB 4.4Å; H286-M289 PolarHBondContact O-N 3.18Å; H286-Q290 WeakPolarHBondContact O-CG 3.44Å; H286-Q290 PolarHBondContact O-N 3.21Å
287V97.9Very high96.2Very high3 Ų320 Ų202%0.01810%0.101CC..Hα-helixtrans-53-42.6-177.3174.40000111.8M289 Q290 L291 Y318 A343 C346 L347V287-M289 PolarHBondContact O-N 3.23Å; V287-Q290 PolarHBondContact O-N 3.02Å; V287-L291 HydrophobicContact CG1-CD1 3.76Å; V287-L291 HydrophobicContact CG1-CG 4.14Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 WeakPolarHBondContact O-CG 3.33Å; V287-L291 PolarHBondContact O-N 3.32Å; V287-Y318 HydrophobicContact CG2-CD1 4.44Å; V287-Y318 HydrophobicContact CG2-CE1 3.74Å; V287-A343 HydrophobicContact CB-CB 3.89Å; V287-A343 HydrophobicContact CG1-CB 4.25Å; V287-A343 HydrophobicContact CG2-CB 3.72Å; V287-C346 HydrophobicContact CG1-CB 4.48Å; V287-L347 HydrophobicContact CG1-CD1 4.16Å; V287-L347 HydrophobicContact CG1-CD2 4.32Å; V287-L347 HydrophobicContact CG1-CG 4.01Å
288S96.2Very high95.9Very high72 Ų7222.6 Ų22.650%0.50311%0.113SC..Hα-helixtrans-57.5-45.2176.5-179.40000112.9H286 R292H286-S288 PolarHBondContact O-N 3.1Å; S288-R292 WeakPolarHBondContact O-CB 3.35Å; S288-R292 PolarHBondContact O-N 3.06Å
289M96.6Very high95.5Very high38 Ų3827.7 Ų27.719%0.18714%0.135CC..Hα-helixtrans-69.4-44.2178.1-174.660.671.100111.6P204 S262 H286 V287 L291 R292 I293P204-M289 HydrophobicContact CB-CE 3.92Å; P204-M289 HydrophobicContact CG-CE 4.35Å; S262-M289 WeakPolarHBondContact OG-CG 3.37Å; H286-M289 HydrophobicContact CB-CB 4.4Å; H286-M289 PolarHBondContact O-N 3.18Å; V287-M289 PolarHBondContact O-N 3.23Å; M289-L291 PolarHBondContact O-N 3.25Å; M289-R292 WeakPolarHBondContact O-CB 3.41Å; M289-R292 PolarHBondContact O-N 2.97Å; M289-R292 VanDerWaalsContact O-N 3.15Å; M289-I293 HydrophobicContact CG-CG1 4.45Å; M289-I293 WeakPolarHBondContact O-CG1 3.34Å; M289-I293 PolarHBondContact O-N 2.88Å; M289-I293 HydrophobicContact SD-CD1 4.5Å; M289-I293 HydrophobicContact SD-CG1 4.3Å
290Q98.1Very high94.8Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-56.6-48.1176.8-70.1161.818.900111.2G185 L282 S283 H286 V287 R292 I293 Y294 F311G185-Q290 WeakPolarHBondContact O-CG 3.5Å; L282-Q290 HydrophobicContact CD2-CB 4.35Å; L282-Q290 HydrophobicContact CD2-CG 3.8Å; S283-Q290 PolarHBondContact O-NE2 2.79Å; S283-Q290 PolarHBondContact O-OE1 3.02Å; H286-Q290 WeakPolarHBondContact O-CG 3.44Å; H286-Q290 PolarHBondContact O-N 3.21Å; V287-Q290 PolarHBondContact O-N 3.02Å; Q290-R292 PolarHBondContact O-N 2.98Å; Q290-I293 PolarHBondContact O-N 3.33Å; Q290-Y294 WeakPolarHBondContact O-CB 3.32Å; Q290-Y294 PolarHBondContact O-N 3Å; Q290-F311 HydrophobicContact CB-CE2 4.31Å; Q290-F311 HydrophobicContact CB-CZ 4.16Å
291L97.7Very high94.3Very high17 Ų1736.1 Ų36.19%0.08917%0.173CC..Hα-helixtrans-63.2-39.1176.6-67.1174.7000112.3V287 M289 R295 F311 C346 L347 V350 W354V287-L291 HydrophobicContact CG1-CD1 3.76Å; V287-L291 HydrophobicContact CG1-CG 4.14Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 WeakPolarHBondContact O-CG 3.33Å; V287-L291 PolarHBondContact O-N 3.32Å; M289-L291 PolarHBondContact O-N 3.25Å; L291-R295 WeakPolarHBondContact O-CB 3.45Å; L291-R295 PolarHBondContact O-N 3.04Å; L291-F311 HydrophobicContact CD2-CE1 4.08Å; L291-F311 HydrophobicContact CD2-CZ 4.39Å; L291-C346 HydrophobicContact CD1-CB 3.79Å; L291-L347 HydrophobicContact CD1-CD2 4.44Å; L291-V350 HydrophobicContact CD1-CG2 4.25Å; L291-V350 HydrophobicContact CD2-CG1 4.41Å; L291-W354 HydrophobicContact CD2-CH2 3.51Å; L291-W354 HydrophobicContact CD2-CZ2 3.76Å
292R95.6Very high93.5Very high87 Ų8736.7 Ų36.733%0.32818%0.177SC..Hα-helixtrans-63.1-47.1176.7-178177.3179.8175.8-1.6111.6P206 S210 S288 M289 Q290 R295 M296P206-R292 PolarHBondContact O-NH2 2.98Å; S210-R292 PolarHBondContact OG-NH2 3.23Å; S288-R292 WeakPolarHBondContact O-CB 3.35Å; S288-R292 PolarHBondContact O-N 3.06Å; M289-R292 WeakPolarHBondContact O-CB 3.41Å; M289-R292 PolarHBondContact O-N 2.97Å; M289-R292 VanDerWaalsContact O-N 3.15Å; Q290-R292 PolarHBondContact O-N 2.98Å; R292-R295 PolarHBondContact O-N 3.21Å; R292-M296 WeakPolarHBondContact O-CG 3.26Å; R292-M296 PolarHBondContact O-N 2.94Å
293I94.8Very high92.8Very high0 Ų039.3 Ų39.30%019%0.193CC..Hα-helixtrans-64.1-49.7178.3-64.7-59.6000110.4I181 G185 V209 W213 M289 Q290 R295 M296 E297I181-I293 HydrophobicContact CB-CD1 4.44Å; I181-I293 HydrophobicContact CD1-CD1 3.53Å; I181-I293 HydrophobicContact CG2-CD1 3.81Å; I181-I293 HydrophobicContact CG2-CG1 4.05Å; I181-I293 HydrophobicContact CG2-CG2 4.23Å; G185-I293 VanDerWaalsContact N-CG2 3.28Å; V209-I293 HydrophobicContact CG1-CD1 4.21Å; W213-I293 HydrophobicContact CZ2-CD1 3.96Å; W213-I293 HydrophobicContact CZ2-CG2 4.18Å; M289-I293 HydrophobicContact CG-CG1 4.45Å; M289-I293 WeakPolarHBondContact O-CG1 3.34Å; M289-I293 PolarHBondContact O-N 2.88Å; M289-I293 HydrophobicContact SD-CD1 4.5Å; M289-I293 HydrophobicContact SD-CG1 4.3Å; Q290-I293 PolarHBondContact O-N 3.33Å; I293-R295 VanDerWaalsContact C-N 3.27Å; I293-R295 PolarHBondContact O-N 3.01Å; I293-M296 WeakPolarHBondContact O-CA 3.32Å; I293-M296 PolarHBondContact O-N 2.83Å; I293-E297 HydrophobicContact CG2-CG 4.24Å; I293-E297 WeakPolarHBondContact O-CG 3.31Å; I293-E297 PolarHBondContact O-N 2.72Å
294Y95.6Very high92.1Very high12 Ų1241.7 Ų41.75%0.04721%0.206CC..Hα-helixtrans-55.9-41.9178.8-178.8-112.6000112.7Q290 M296 E297 Q298 F311 E312 W354Q290-Y294 WeakPolarHBondContact O-CB 3.32Å; Q290-Y294 PolarHBondContact O-N 3Å; Y294-M296 VanDerWaalsContact C-N 3.31Å; Y294-M296 PolarHBondContact O-N 2.91Å; Y294-E297 PolarHBondContact O-N 2.87Å; Y294-Q298 HydrophobicContact CD1-CG 4.5Å; Y294-Q298 VanDerWaalsContact CE1-CD 3.46Å; Y294-Q298 HydrophobicContact CE1-CG 4.13Å; Y294-Q298 HydrophobicContact CE2-CG 4.38Å; Y294-Q298 VanDerWaalsContact CZ-NE2 3.28Å; Y294-Q298 WeakPolarHBondContact O-CG 3.4Å; Y294-Q298 PolarHBondContact O-N 2.61Å; Y294-Q298 PolarHBondContact OH-NE2 2.78Å; Y294-F311 VanDerWaalsContact CB-CE1 3.47Å; Y294-F311 AromaticContact CD1-CD1 3.47Å; Y294-F311 HydrophobicContact CD1-CD1 3.47Å; Y294-F311 VanDerWaalsContact CD1-CD1 3.47Å; Y294-F311 AromaticContact CD1-CE1 3.45Å; Y294-F311 HydrophobicContact CD1-CE1 3.45Å; Y294-F311 VanDerWaalsContact CD1-CE1 3.45Å; Y294-F311 HydrophobicContact CD1-CG 4.42Å; Y294-F311 HydrophobicContact CD1-CZ 4.38Å; Y294-F311 HydrophobicContact CD2-CB 4.12Å; Y294-F311 AromaticContact CD2-CD1 3.58Å; Y294-F311 HydrophobicContact CD2-CD1 3.58Å; Y294-F311 HydrophobicContact CD2-CD2 4.21Å; Y294-F311 AromaticContact CD2-CE1 3.99Å; Y294-F311 HydrophobicContact CD2-CE1 3.99Å; Y294-F311 AromaticContact CD2-CG 3.7Å; Y294-F311 HydrophobicContact CD2-CG 3.7Å; Y294-F311 HydrophobicContact CD2-CZ 4.45Å; Y294-F311 AromaticContact CE1-CD1 3.73Å; Y294-F311 HydrophobicContact CE1-CD1 3.73Å; Y294-F311 HydrophobicContact CE1-CE1 4.16Å; Y294-F311 HydrophobicContact CE2-CB 3.88Å; Y294-F311 AromaticContact CE2-CD1 3.85Å; Y294-F311 HydrophobicContact CE2-CD1 3.85Å; Y294-F311 AromaticContact CE2-CG 3.94Å; Y294-F311 HydrophobicContact CE2-CG 3.94Å; Y294-F311 AromaticContact CG-CD1 3.38Å; Y294-F311 HydrophobicContact CG-CD1 3.38Å; Y294-F311 HydrophobicContact CG-CD2 4.43Å; Y294-F311 AromaticContact CG-CE1 3.34Å; Y294-F311 HydrophobicContact CG-CE1 3.34Å; Y294-F311 HydrophobicContact CG-CE2 4.39Å; Y294-F311 AromaticContact CG-CG 3.95Å; Y294-F311 HydrophobicContact CG-CG 3.95Å; Y294-F311 AromaticContact CG-CZ 3.88Å; Y294-F311 HydrophobicContact CG-CZ 3.88Å; Y294-F311 AromaticContact CZ-CD1 3.92Å; Y294-E312 HydrophobicContact CE1-CG 3.83Å; Y294-E312 PolarHBondContact OH-OE1 3.36Å; Y294-W354 HydrophobicContact CD1-CZ2 4.09Å; Y294-W354 HydrophobicContact CE1-CZ2 4.12Å
295R93.7Very high91.4Very high75 Ų7544.6 Ų44.628%0.28321%0.214SC..Hα-helixtrans-61.9-39.7175.5-175.7179.9-179.1-163.82.7112.4L291 R292 I293 Q298 K299 L439L291-R295 WeakPolarHBondContact O-CB 3.45Å; L291-R295 PolarHBondContact O-N 3.04Å; R292-R295 PolarHBondContact O-N 3.21Å; I293-R295 VanDerWaalsContact C-N 3.27Å; I293-R295 PolarHBondContact O-N 3.01Å; R295-Q298 PolarHBondContact O-N 2.9Å; R295-K299 WeakPolarHBondContact O-CG 3.2Å; R295-K299 PolarHBondContact O-N 2.96Å; R295-L439 VanDerWaalsContact CZ-CD2 3.42Å; R295-L439 VanDerWaalsContact NH2-CD2 3.33Å
296M91Very high90.8Very high43 Ų4344.8 Ų44.821%0.21221%0.214CC..Hα-helixtrans-71.4-37.9178.8-68.1-59.1-6600111.7W213 R292 I293 Y294 Q298 K299 C300W213-M296 HydrophobicContact CB-CE 3.44Å; W213-M296 VanDerWaalsContact CB-CE 3.44Å; W213-M296 HydrophobicContact CD2-CB 3.61Å; W213-M296 HydrophobicContact CD2-CE 4Å; W213-M296 HydrophobicContact CD2-CG 4.2Å; W213-M296 HydrophobicContact CE3-CB 4.14Å; W213-M296 HydrophobicContact CG-CB 4.08Å; W213-M296 HydrophobicContact CG-CE 3.34Å; W213-M296 HydrophobicContact CG-CG 4.17Å; W213-M296 HydrophobicContact CH2-CB 3.96Å; W213-M296 HydrophobicContact CZ2-CB 3.42Å; W213-M296 VanDerWaalsContact CZ2-CB 3.42Å; W213-M296 HydrophobicContact CZ2-CG 4.36Å; W213-M296 HydrophobicContact CZ3-CB 4.29Å; R292-M296 WeakPolarHBondContact O-CG 3.26Å; R292-M296 PolarHBondContact O-N 2.94Å; I293-M296 WeakPolarHBondContact O-CA 3.32Å; I293-M296 PolarHBondContact O-N 2.83Å; Y294-M296 VanDerWaalsContact C-N 3.31Å; Y294-M296 PolarHBondContact O-N 2.91Å; M296-Q298 VanDerWaalsContact C-N 3.31Å; M296-Q298 PolarHBondContact O-N 2.93Å; M296-K299 PolarHBondContact O-N 2.88Å; M296-K299 HydrophobicContact SD-CD 4.32Å; M296-C300 WeakPolarHBondContact O-CB 3.35Å; M296-C300 PolarHBondContact O-N 3.17Å; M296-C300 PolarHBondContact O-SG 3.09Å
297E91.9Very high90.5Very high10 Ų1044.1 Ų44.15%0.04721%0.212CC..Hα-helixtrans-58.3-43.5170.5-66173.4149.700111.5F183 G184 W213 I293 Y294 C300 K301 T302 L307F183-E297 VanDerWaalsContact CA-OE1 3.23Å; F183-E297 WeakPolarHBondContact CA-OE1 3.31Å; G184-E297 PolarHBondContact N-OE1 3.05Å; G184-E297 PolarHBondContact N-OE2 2.79Å; W213-E297 HydrophobicContact CH2-CG 3.88Å; I293-E297 HydrophobicContact CG2-CG 4.24Å; I293-E297 WeakPolarHBondContact O-CG 3.31Å; I293-E297 PolarHBondContact O-N 2.72Å; Y294-E297 PolarHBondContact O-N 2.87Å; E297-C300 PolarHBondContact O-N 3.1Å; E297-K301 PolarHBondContact O-N 3.41Å; E297-K301 VanDerWaalsContact O-N 3.16Å; E297-T302 WeakPolarHBondContact CA-OG1 3.39Å; E297-T302 PolarHBondContact O-N 3.5Å; E297-T302 PolarHBondContact O-OG1 2.79Å; E297-L307 HydrophobicContact CB-CD2 3.6Å; E297-L307 HydrophobicContact CG-CD2 4.19Å
298Q89.9Confident90.3Very high55 Ų5544 Ų4426%0.25721%0.211SC..Hα-helixtrans-60.9-45.7173.4-72.2-175.7-33.800111.9Y294 R295 M296 C300 K301 E312Y294-Q298 HydrophobicContact CD1-CG 4.5Å; Y294-Q298 VanDerWaalsContact CE1-CD 3.46Å; Y294-Q298 HydrophobicContact CE1-CG 4.13Å; Y294-Q298 HydrophobicContact CE2-CG 4.38Å; Y294-Q298 VanDerWaalsContact CZ-NE2 3.28Å; Y294-Q298 WeakPolarHBondContact O-CG 3.4Å; Y294-Q298 PolarHBondContact O-N 2.61Å; Y294-Q298 PolarHBondContact OH-NE2 2.78Å; R295-Q298 PolarHBondContact O-N 2.9Å; M296-Q298 VanDerWaalsContact C-N 3.31Å; M296-Q298 PolarHBondContact O-N 2.93Å; Q298-C300 VanDerWaalsContact C-N 3.33Å; Q298-C300 PolarHBondContact O-N 3.47Å; Q298-K301 PolarHBondContact O-N 2.98Å; Q298-K301 VanDerWaalsContact O-N 3.11Å; Q298-E312 PolarHBondContact NE2-OE1 3.15Å
299K88.8Confident90.1Very high109 Ų10941.5 Ų41.547%0.47419%0.193SC..Hα-helixtrans-62.1-39177.6-77.4-166171.1-1540112.3R295 M296 K301 E442R295-K299 WeakPolarHBondContact O-CG 3.2Å; R295-K299 PolarHBondContact O-N 2.96Å; M296-K299 PolarHBondContact O-N 2.88Å; M296-K299 HydrophobicContact SD-CD 4.32Å; K299-K301 PolarHBondContact O-N 2.85Å; K299-E442 IonicContact NZ-OE2 3.1Å; K299-E442 PolarHBondContact NZ-OE2 2.87Å
300C82.9Confident90Very high20 Ų2040.2 Ų40.214%0.13519%0.187CC..THydrogen-bonded Turntrans-76.9-1.7177.1-66.70000113.6M296 E297 Q298 T302 W461M296-C300 WeakPolarHBondContact O-CB 3.35Å; M296-C300 PolarHBondContact O-N 3.17Å; M296-C300 PolarHBondContact O-SG 3.09Å; E297-C300 PolarHBondContact O-N 3.1Å; Q298-C300 VanDerWaalsContact C-N 3.33Å; Q298-C300 PolarHBondContact O-N 3.47Å; C300-T302 PolarHBondContact O-N 2.85Å; C300-W461 HydrophobicContact CB-CZ3 4.36Å
301K87.7Confident90Very high161 Ų16140.3 Ų40.370%0.719%0.187SC*.THydrogen-bonded Turntrans5341.3-175.1-57.3-179179.8179.30112.2E297 Q298 K299E297-K301 PolarHBondContact O-N 3.41Å; E297-K301 VanDerWaalsContact O-N 3.16Å; Q298-K301 PolarHBondContact O-N 2.98Å; Q298-K301 VanDerWaalsContact O-N 3.11Å; K299-K301 PolarHBondContact O-N 2.85Å
302T80.9Confident90Very high12 Ų1239.6 Ų39.67%0.07418%0.183CC..  trans-54.2126.7175.2-59.80000109.7E297 C300 F306 L307 W461E297-T302 WeakPolarHBondContact CA-OG1 3.39Å; E297-T302 PolarHBondContact O-N 3.5Å; E297-T302 PolarHBondContact O-OG1 2.79Å; C300-T302 PolarHBondContact O-N 2.85Å; T302-F306 HydrophobicContact CG2-CB 3.79Å; T302-L307 HydrophobicContact CG2-CD2 3.73Å; T302-L307 HydrophobicContact CG2-CG 4.28Å; T302-W461 HydrophobicContact CG2-CD2 4Å; T302-W461 HydrophobicContact CG2-CE3 3.56Å; T302-W461 HydrophobicContact CG2-CG 4.46Å; T302-W461 HydrophobicContact CG2-CZ3 4.01Å; T302-W461 WeakPolarHBondContact OG1-CZ3 3.3Å
303P83.7Confident90Very high54 Ų5435.7 Ų35.735%0.35117%0.169SC..  trans-57.2144.5178.2-23.831.5000111.9K305 F306 W461P303-K305 HydrophobicContact CB-CG 4.5Å; P303-K305 PolarHBondContact O-N 2.92Å; P303-K305 VanDerWaalsContact O-N 3.11Å; P303-F306 HydrophobicContact CB-CD2 3.92Å; P303-F306 HydrophobicContact CB-CE2 4.43Å; P303-F306 HydrophobicContact CG-CD2 4Å; P303-F306 HydrophobicContact CG-CE2 4.34Å; P303-F306 PolarHBondContact O-N 3.37Å; P303-W461 HydrophobicContact CG-CZ2 4.17Å
304I81.9Confident90.1Very high51 Ų5135.8 Ų35.826%0.26217%0.169SC..G310 helixtrans-52.7-39.5-175-67.4174000112.5F306 L307 W449I304-F306 PolarHBondContact O-N 3.46Å; I304-L307 WeakPolarHBondContact O-CB 3.13Å; I304-L307 PolarHBondContact O-N 3.35Å; I304-W449 HydrophobicContact CD1-CE3 3.55Å; I304-W449 HydrophobicContact CD1-CZ3 3.58Å; I304-W449 HydrophobicContact CG1-CE3 4.13Å; I304-W449 HydrophobicContact CG1-CZ3 3.63Å
305K80.8Confident90.2Very high76 Ų7635.2 Ų35.233%0.3317%0.167SC..G310 helixtrans-60-17.8179.871.9172.2-169.7151.20114E89 P303 G457 G458E89-K305 IonicContact OE1-NZ 3.19Å; E89-K305 PolarHBondContact OE1-NZ 3.27Å; E89-K305 IonicContact OE2-NZ 2.86Å; E89-K305 PolarHBondContact OE2-NZ 3.06Å; P303-K305 HydrophobicContact CB-CG 4.5Å; P303-K305 PolarHBondContact O-N 2.92Å; P303-K305 VanDerWaalsContact O-N 3.11Å; K305-G457 CarbonylContact O-C 3.53Å; K305-G457 WeakPolarHBondContact O-CA 3.38Å; K305-G458 PolarHBondContact O-N 3.06Å
306F84Confident90.4Very high17 Ų1731.6 Ų31.68%0.07515%0.153CC..G310 helixtrans-106.75.6177.3-57.9-66.8000113.2F183 T302 P303 I304 W461F183-F306 WeakPolarHBondContact CB-O 3.31Å; T302-F306 HydrophobicContact CG2-CB 3.79Å; P303-F306 HydrophobicContact CB-CD2 3.92Å; P303-F306 HydrophobicContact CB-CE2 4.43Å; P303-F306 HydrophobicContact CG-CD2 4Å; P303-F306 HydrophobicContact CG-CE2 4.34Å; P303-F306 PolarHBondContact O-N 3.37Å; I304-F306 PolarHBondContact O-N 3.46Å; F306-W461 HydrophobicContact CB-CB 3.59Å; F306-W461 HydrophobicContact CB-CG 4.16Å; F306-W461 HydrophobicContact CD1-CB 3.76Å; F306-W461 HydrophobicContact CD1-CG 4.49Å; F306-W461 HydrophobicContact CD2-CB 3.57Å; F306-W461 AromaticContact CD2-CD1 3.21Å; F306-W461 HydrophobicContact CD2-CD2 4.37Å; F306-W461 AromaticContact CD2-CG 3.43Å; F306-W461 HydrophobicContact CD2-CG 3.43Å; F306-W461 VanDerWaalsContact CD2-CG 3.43Å; F306-W461 AromaticContact CD2-NE1 3.96Å; F306-W461 HydrophobicContact CE1-CB 4.21Å; F306-W461 HydrophobicContact CE2-CB 4.05Å; F306-W461 AromaticContact CE2-CD1 3.07Å; F306-W461 AromaticContact CE2-CG 3.76Å; F306-W461 HydrophobicContact CE2-CG 3.76Å; F306-W461 AromaticContact CE2-NE1 3.83Å; F306-W461 HydrophobicContact CG-CB 3.4Å; F306-W461 AromaticContact CG-CD1 3.99Å; F306-W461 AromaticContact CG-CG 3.83Å; F306-W461 HydrophobicContact CG-CG 3.83Å; F306-W461 HydrophobicContact CZ-CB 4.32Å; F306-W461 AromaticContact CZ-CD1 3.76Å; F306-W461 HydrophobicContact CZ-CG 4.4Å
307L90.8Very high90.7Very high14 Ų1429.9 Ų29.97%0.07315%0.145CC..SBendtrans-93.2157.1172.3-61.8-180000110.1E297 T302 I304 P309E297-L307 HydrophobicContact CB-CD2 3.6Å; E297-L307 HydrophobicContact CG-CD2 4.19Å; T302-L307 HydrophobicContact CG2-CD2 3.73Å; T302-L307 HydrophobicContact CG2-CG 4.28Å; I304-L307 WeakPolarHBondContact O-CB 3.13Å; I304-L307 PolarHBondContact O-N 3.35Å; L307-P309 VanDerWaalsContact O-CD 3.3Å; L307-P309 WeakPolarHBondContact O-CD 3.47Å
308F94Very high91Very high2 Ų229.6 Ų29.61%0.00914%0.143CC..PPolyproline II helixtrans-62.3120.5167.4-163.7-75.6000109.3V139 P162 V164 F183 L282 N310 F311 V314V139-F308 HydrophobicContact CG2-CE1 4.17Å; V139-F308 HydrophobicContact CG2-CZ 4Å; P162-F308 HydrophobicContact CB-CE1 3.75Å; P162-F308 HydrophobicContact CB-CZ 4.3Å; P162-F308 HydrophobicContact CG-CE1 4.04Å; V164-F308 HydrophobicContact CG2-CD2 4.4Å; V164-F308 HydrophobicContact CG2-CE1 4.49Å; V164-F308 HydrophobicContact CG2-CE2 3.56Å; V164-F308 HydrophobicContact CG2-CZ 3.61Å; F183-F308 HydrophobicContact CD2-CB 3.73Å; F183-F308 AromaticContact CD2-CD2 3.7Å; F183-F308 HydrophobicContact CD2-CD2 3.7Å; F183-F308 HydrophobicContact CD2-CG 4.11Å; F183-F308 HydrophobicContact CE2-CB 4.25Å; F183-F308 AromaticContact CE2-CD2 3.49Å; F183-F308 HydrophobicContact CE2-CD2 3.49Å; F183-F308 VanDerWaalsContact CE2-CD2 3.49Å; F183-F308 HydrophobicContact CE2-CE2 4.15Å; F183-F308 HydrophobicContact CE2-CG 4.15Å; L282-F308 HydrophobicContact CD1-CD1 3.86Å; L282-F308 HydrophobicContact CD1-CD2 4.16Å; L282-F308 HydrophobicContact CD1-CE1 3.74Å; L282-F308 HydrophobicContact CD1-CE2 4.03Å; L282-F308 HydrophobicContact CD1-CG 4.1Å; L282-F308 HydrophobicContact CD1-CZ 3.83Å; L282-F308 HydrophobicContact CD2-CD2 4.23Å; L282-F308 HydrophobicContact CD2-CE2 4.33Å; L282-F308 HydrophobicContact CG-CD2 3.99Å; L282-F308 HydrophobicContact CG-CE1 4.29Å; L282-F308 HydrophobicContact CG-CE2 3.68Å; L282-F308 HydrophobicContact CG-CG 4.43Å; L282-F308 HydrophobicContact CG-CZ 3.86Å; F308-N310 PolarHBondContact O-N 3.41Å; F308-F311 HydrophobicContact CB-CB 4.22Å; F308-F311 HydrophobicContact CB-CD2 3.91Å; F308-F311 HydrophobicContact CG-CD2 4.31Å; F308-F311 WeakPolarHBondContact O-CB 3.48Å; F308-F311 PolarHBondContact O-N 2.77Å; F308-V314 HydrophobicContact CE1-CG2 4.17Å
309P92.6Very high91.3Very high18 Ų1827 Ų2712%0.11713%0.131CC..THydrogen-bonded Turntrans-60.4135.1-177.8-2333.2000111.3P162 V164 L307 F311P162-P309 HydrophobicContact CB-CB 4.19Å; P162-P309 WeakPolarHBondContact CG-O 3.34Å; V164-P309 HydrophobicContact CG1-CG 4.07Å; L307-P309 VanDerWaalsContact O-CD 3.3Å; L307-P309 WeakPolarHBondContact O-CD 3.47Å; P309-F311 PolarHBondContact O-N 3.38Å; P309-F311 VanDerWaalsContact O-N 3.15Å
310N94.5Very high91.7Very high11 Ų1122.5 Ų22.56%0.05911%0.112CC..THydrogen-bonded Turntrans54.131.1179.3-55.5-52.7000114.5W143 T160 P162 F308 E312 K313 V314 Y368W143-N310 HydrophobicContact CH2-CB 3.86Å; W143-N310 HydrophobicContact CZ3-CB 4.09Å; T160-N310 PolarHBondContact O-ND2 2.94Å; P162-N310 HydrophobicContact CG-CB 4.1Å; F308-N310 PolarHBondContact O-N 3.41Å; N310-E312 VanDerWaalsContact C-N 3.35Å; N310-E312 PolarHBondContact O-N 2.79Å; N310-K313 HydrophobicContact CB-CB 4.13Å; N310-K313 PolarHBondContact O-N 2.92Å; N310-V314 WeakPolarHBondContact O-CG2 3.33Å; N310-V314 PolarHBondContact O-N 3.09Å; N310-Y368 PolarHBondContact N-OH 2.85Å; N310-Y368 WeakPolarHBondContact OD1-CD2 3.41Å; N310-Y368 WeakPolarHBondContact OD1-CE2 3.36Å; N310-Y368 PolarHBondContact OD1-O 2.84Å
311F96.7Very high92.3Very high3 Ų323.2 Ų23.21%0.01312%0.117CC..Hα-helixtrans-48.5-50.3-177.1-177.9-88.6000113.8G184 L282 Q290 L291 Y294 F308 P309 K313 V314 H315 W354G184-F311 WeakPolarHBondContact O-CE2 3.48Å; L282-F311 HydrophobicContact CD1-CD2 3.86Å; L282-F311 HydrophobicContact CD1-CE2 4.03Å; L282-F311 HydrophobicContact CD2-CD2 4.35Å; L282-F311 HydrophobicContact CD2-CE2 3.91Å; Q290-F311 HydrophobicContact CB-CE2 4.31Å; Q290-F311 HydrophobicContact CB-CZ 4.16Å; L291-F311 HydrophobicContact CD2-CE1 4.08Å; L291-F311 HydrophobicContact CD2-CZ 4.39Å; Y294-F311 VanDerWaalsContact CB-CE1 3.47Å; Y294-F311 AromaticContact CD1-CD1 3.47Å; Y294-F311 HydrophobicContact CD1-CD1 3.47Å; Y294-F311 VanDerWaalsContact CD1-CD1 3.47Å; Y294-F311 AromaticContact CD1-CE1 3.45Å; Y294-F311 HydrophobicContact CD1-CE1 3.45Å; Y294-F311 VanDerWaalsContact CD1-CE1 3.45Å; Y294-F311 HydrophobicContact CD1-CG 4.42Å; Y294-F311 HydrophobicContact CD1-CZ 4.38Å; Y294-F311 HydrophobicContact CD2-CB 4.12Å; Y294-F311 AromaticContact CD2-CD1 3.58Å; Y294-F311 HydrophobicContact CD2-CD1 3.58Å; Y294-F311 HydrophobicContact CD2-CD2 4.21Å; Y294-F311 AromaticContact CD2-CE1 3.99Å; Y294-F311 HydrophobicContact CD2-CE1 3.99Å; Y294-F311 AromaticContact CD2-CG 3.7Å; Y294-F311 HydrophobicContact CD2-CG 3.7Å; Y294-F311 HydrophobicContact CD2-CZ 4.45Å; Y294-F311 AromaticContact CE1-CD1 3.73Å; Y294-F311 HydrophobicContact CE1-CD1 3.73Å; Y294-F311 HydrophobicContact CE1-CE1 4.16Å; Y294-F311 HydrophobicContact CE2-CB 3.88Å; Y294-F311 AromaticContact CE2-CD1 3.85Å; Y294-F311 HydrophobicContact CE2-CD1 3.85Å; Y294-F311 AromaticContact CE2-CG 3.94Å; Y294-F311 HydrophobicContact CE2-CG 3.94Å; Y294-F311 AromaticContact CG-CD1 3.38Å; Y294-F311 HydrophobicContact CG-CD1 3.38Å; Y294-F311 HydrophobicContact CG-CD2 4.43Å; Y294-F311 AromaticContact CG-CE1 3.34Å; Y294-F311 HydrophobicContact CG-CE1 3.34Å; Y294-F311 HydrophobicContact CG-CE2 4.39Å; Y294-F311 AromaticContact CG-CG 3.95Å; Y294-F311 HydrophobicContact CG-CG 3.95Å; Y294-F311 AromaticContact CG-CZ 3.88Å; Y294-F311 HydrophobicContact CG-CZ 3.88Å; Y294-F311 AromaticContact CZ-CD1 3.92Å; F308-F311 HydrophobicContact CB-CB 4.22Å; F308-F311 HydrophobicContact CB-CD2 3.91Å; F308-F311 HydrophobicContact CG-CD2 4.31Å; F308-F311 WeakPolarHBondContact O-CB 3.48Å; F308-F311 PolarHBondContact O-N 2.77Å; P309-F311 PolarHBondContact O-N 3.38Å; P309-F311 VanDerWaalsContact O-N 3.15Å; F311-K313 VanDerWaalsContact C-N 3.35Å; F311-K313 PolarHBondContact O-N 3.13Å; F311-V314 PolarHBondContact O-N 3.44Å; F311-H315 AromaticContact CD1-ND1 3.82Å; F311-H315 AromaticContact CD2-CE1 3.94Å; F311-H315 AromaticContact CE1-CE1 3.52Å; F311-H315 AromaticContact CE1-ND1 3.6Å; F311-H315 AromaticContact CE2-CE1 3.39Å; F311-H315 WeakPolarHBondContact CE2-CE1 3.33Å; F311-H315 AromaticContact CZ-CE1 3.16Å; F311-H315 WeakPolarHBondContact CZ-CE1 3.41Å; F311-H315 AromaticContact CZ-ND1 3.74Å; F311-H315 AromaticContact CZ-NE2 3.92Å; F311-H315 PolarHBondContact O-N 2.94Å; F311-H315 PolarHBondContact O-ND1 3.31Å; F311-W354 HydrophobicContact CD1-CH2 4.24Å; F311-W354 HydrophobicContact CD1-CZ2 4.48Å; F311-W354 AromaticContact CE1-CH2 3.95Å; F311-W354 HydrophobicContact CE1-CH2 3.95Å; F311-W354 HydrophobicContact CE1-CZ2 4.19Å
312E97.3Very high92.8Very high1 Ų115.6 Ų15.61%0.0058%0.083CC..Hα-helixtrans-61.8-43.8179.4-63.7-174.1-164.800110.4Y294 Q298 N310 V314 H315 W316 W354 R358 F369Y294-E312 HydrophobicContact CE1-CG 3.83Å; Y294-E312 PolarHBondContact OH-OE1 3.36Å; Q298-E312 PolarHBondContact NE2-OE1 3.15Å; N310-E312 VanDerWaalsContact C-N 3.35Å; N310-E312 PolarHBondContact O-N 2.79Å; E312-V314 PolarHBondContact O-N 2.89Å; E312-H315 PolarHBondContact O-N 2.97Å; E312-H315 VanDerWaalsContact O-N 3.17Å; E312-W316 PolarHBondContact O-N 3.47Å; E312-W354 HydrophobicContact CB-CD2 4.24Å; E312-W354 HydrophobicContact CB-CE3 3.92Å; E312-W354 HydrophobicContact CB-CH2 4.43Å; E312-W354 HydrophobicContact CB-CZ3 4.04Å; E312-W354 HydrophobicContact CG-CD2 3.83Å; E312-W354 HydrophobicContact CG-CE3 4.01Å; E312-W354 HydrophobicContact CG-CG 4.39Å; E312-W354 HydrophobicContact CG-CH2 4.16Å; E312-W354 HydrophobicContact CG-CZ2 3.98Å; E312-W354 HydrophobicContact CG-CZ3 4.18Å; E312-R358 IonicContact OE1-CZ 3.22Å; E312-R358 IonicContact OE1-NE 3.23Å; E312-R358 IonicContact OE1-NH2 2.77Å; E312-R358 PolarHBondContact OE1-NH2 2.9Å; E312-R358 IonicContact OE2-NE 2.93Å; E312-R358 PolarHBondContact OE2-NE 3.1Å; E312-R358 IonicContact OE2-NH2 3.69Å; E312-F369 HydrophobicContact CB-CD1 4.43Å; E312-F369 HydrophobicContact CG-CD1 4.23Å
313K96Very high93.5Very high6 Ų615.2 Ų15.23%0.0268%0.081CC..Hα-helixtrans-64.7-40.8179.9-159.9-169.8-63.4-178.90113.1W143 N310 F311 H315 W316 F317 D367 Y368 F369 L370 P371W143-K313 HydrophobicContact CH2-CD 3.77Å; W143-K313 HydrophobicContact CH2-CG 4.48Å; W143-K313 HydrophobicContact CZ2-CD 4.34Å; W143-K313 HydrophobicContact CZ3-CB 4.49Å; W143-K313 HydrophobicContact CZ3-CD 4.31Å; N310-K313 HydrophobicContact CB-CB 4.13Å; N310-K313 PolarHBondContact O-N 2.92Å; F311-K313 VanDerWaalsContact C-N 3.35Å; F311-K313 PolarHBondContact O-N 3.13Å; K313-H315 PolarHBondContact O-N 2.92Å; K313-W316 WeakPolarHBondContact O-CB 3.19Å; K313-W316 PolarHBondContact O-N 2.88Å; K313-W316 VanDerWaalsContact O-N 3.13Å; K313-F317 HydrophobicContact CD-CE2 3.77Å; K313-F317 HydrophobicContact CD-CZ 3.98Å; K313-F317 HydrophobicContact CG-CD2 4.35Å; K313-F317 HydrophobicContact CG-CE2 3.78Å; K313-F317 HydrophobicContact CG-CZ 4.07Å; K313-F317 WeakPolarHBondContact O-CD2 3.34Å; K313-F317 PolarHBondContact O-N 3.35Å; K313-D367 WeakPolarHBondContact CE-O 3.48Å; K313-D367 PolarHBondContact NZ-O 3.22Å; K313-Y368 WeakPolarHBondContact CE-O 3.29Å; K313-F369 WeakPolarHBondContact CA-O 3.49Å; K313-F369 PolarHBondContact N-O 2.79Å; K313-L370 WeakPolarHBondContact CE-O 3.26Å; K313-P371 HydrophobicContact CG-CB 4.32Å
314V96.9Very high94.1Very high1 Ų115.3 Ų15.31%0.0068%0.079CC..Hα-helixtrans-56.6-42.3173.7175.40000110.6L138 V139 W143 P162 L282 F308 N310 F311 E312 F317 Y318L138-V314 HydrophobicContact CB-CG1 3.58Å; L138-V314 HydrophobicContact CD1-CG1 4.32Å; V139-V314 HydrophobicContact CG2-CG1 4.28Å; V139-V314 HydrophobicContact CG2-CG2 4Å; W143-V314 HydrophobicContact CE3-CG2 3.86Å; W143-V314 HydrophobicContact CZ3-CG2 3.62Å; P162-V314 HydrophobicContact CG-CG2 3.88Å; L282-V314 HydrophobicContact CD1-CB 4.43Å; L282-V314 HydrophobicContact CD1-CG1 4.06Å; F308-V314 HydrophobicContact CE1-CG2 4.17Å; N310-V314 WeakPolarHBondContact O-CG2 3.33Å; N310-V314 PolarHBondContact O-N 3.09Å; F311-V314 PolarHBondContact O-N 3.44Å; E312-V314 PolarHBondContact O-N 2.89Å; V314-F317 PolarHBondContact O-N 3.08Å; V314-Y318 WeakPolarHBondContact O-CB 3.5Å; V314-Y318 PolarHBondContact O-N 3.4Å
315H98.2Very high94.7Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-71.7-30.9178.5-74.286.4000112.8F311 E312 K313 Y318 S319 L347 W354F311-H315 AromaticContact CD1-ND1 3.82Å; F311-H315 AromaticContact CD2-CE1 3.94Å; F311-H315 AromaticContact CE1-CE1 3.52Å; F311-H315 AromaticContact CE1-ND1 3.6Å; F311-H315 AromaticContact CE2-CE1 3.39Å; F311-H315 WeakPolarHBondContact CE2-CE1 3.33Å; F311-H315 AromaticContact CZ-CE1 3.16Å; F311-H315 WeakPolarHBondContact CZ-CE1 3.41Å; F311-H315 AromaticContact CZ-ND1 3.74Å; F311-H315 AromaticContact CZ-NE2 3.92Å; F311-H315 PolarHBondContact O-N 2.94Å; F311-H315 PolarHBondContact O-ND1 3.31Å; E312-H315 PolarHBondContact O-N 2.97Å; E312-H315 VanDerWaalsContact O-N 3.17Å; K313-H315 PolarHBondContact O-N 2.92Å; H315-Y318 PolarHBondContact O-N 2.85Å; H315-S319 VanDerWaalsContact O-CB 3.31Å; H315-S319 WeakPolarHBondContact O-CB 3.3Å; H315-S319 PolarHBondContact O-N 3.29Å; H315-S319 PolarHBondContact O-OG 3.42Å; H315-L347 HydrophobicContact CB-CD2 4.08Å; H315-W354 HydrophobicContact CB-CH2 4.14Å; H315-W354 HydrophobicContact CB-CZ3 3.78Å
316W97.9Very high95.4Very high0 Ų013.2 Ų13.20%07%0.065CC..Hα-helixtrans-60.4-48.8169.4-78.3108.5000111.8E312 K313 S319 Q320 L351 Y355 L370 P371 C380 L383 I384E312-W316 PolarHBondContact O-N 3.47Å; K313-W316 WeakPolarHBondContact O-CB 3.19Å; K313-W316 PolarHBondContact O-N 2.88Å; K313-W316 VanDerWaalsContact O-N 3.13Å; W316-S319 WeakPolarHBondContact O-CB 3.46Å; W316-S319 PolarHBondContact O-N 2.92Å; W316-Q320 PolarHBondContact O-N 2.84Å; W316-L351 HydrophobicContact CD2-CD2 3.76Å; W316-L351 HydrophobicContact CE3-CD1 4.35Å; W316-L351 HydrophobicContact CE3-CD2 3.82Å; W316-L351 HydrophobicContact CG-CD2 4.39Å; W316-L351 HydrophobicContact CH2-CB 3.81Å; W316-L351 HydrophobicContact CH2-CD2 4.03Å; W316-L351 HydrophobicContact CH2-CG 4.35Å; W316-L351 HydrophobicContact CZ2-CB 4.22Å; W316-L351 HydrophobicContact CZ2-CD2 3.95Å; W316-L351 HydrophobicContact CZ3-CB 4.14Å; W316-L351 HydrophobicContact CZ3-CD1 4.1Å; W316-L351 HydrophobicContact CZ3-CD2 3.96Å; W316-L351 HydrophobicContact CZ3-CG 4.29Å; W316-Y355 HydrophobicContact CH2-CD2 4.48Å; W316-L370 HydrophobicContact CZ2-CD2 3.94Å; W316-L370 VanDerWaalsContact NE1-CD2 3.31Å; W316-P371 HydrophobicContact CB-CG 3.9Å; W316-P371 HydrophobicContact CG-CG 4.26Å; W316-C380 HydrophobicContact CE3-CB 4.37Å; W316-C380 HydrophobicContact CH2-CB 3.91Å; W316-C380 HydrophobicContact CZ3-CB 3.78Å; W316-L383 HydrophobicContact CE3-CD2 3.9Å; W316-L383 HydrophobicContact CZ3-CD2 4.23Å; W316-I384 HydrophobicContact CH2-CD1 3.79Å; W316-I384 HydrophobicContact CH2-CG1 3.93Å; W316-I384 HydrophobicContact CZ3-CD1 4.4Å; W316-I384 HydrophobicContact CZ3-CG1 4.12Å
317F96.8Very high95.9Very high6 Ų614.3 Ų14.33%0.0267%0.074CC..Hα-helixtrans-62.7-44.6176.2-65.7-42.7000112.4C142 W143 P144 K313 V314 S319 Q320 C321 P371 Q375 L376C142-F317 HydrophobicContact CB-CB 4.23Å; C142-F317 WeakPolarHBondContact O-CB 3.3Å; W143-F317 AromaticContact CD2-CD2 3.96Å; W143-F317 HydrophobicContact CD2-CD2 3.96Å; W143-F317 AromaticContact CD2-CE2 3.78Å; W143-F317 HydrophobicContact CD2-CE2 3.78Å; W143-F317 AromaticContact CE2-CE2 3.97Å; W143-F317 AromaticContact CE3-CD2 3.63Å; W143-F317 HydrophobicContact CE3-CD2 3.63Å; W143-F317 AromaticContact CE3-CE2 3.71Å; W143-F317 HydrophobicContact CE3-CE2 3.71Å; W143-F317 HydrophobicContact CG-CD2 4.44Å; W143-F317 HydrophobicContact CG-CE2 4.43Å; W143-F317 HydrophobicContact CH2-CE2 4.1Å; W143-F317 HydrophobicContact CZ2-CE2 4.14Å; W143-F317 HydrophobicContact CZ3-CD2 4.05Å; W143-F317 AromaticContact CZ3-CE2 3.86Å; W143-F317 HydrophobicContact CZ3-CE2 3.86Å; P144-F317 HydrophobicContact CG-CD1 4.25Å; P144-F317 HydrophobicContact CG-CE1 3.77Å; P144-F317 HydrophobicContact CG-CE2 4.13Å; P144-F317 HydrophobicContact CG-CZ 3.7Å; K313-F317 HydrophobicContact CD-CE2 3.77Å; K313-F317 HydrophobicContact CD-CZ 3.98Å; K313-F317 HydrophobicContact CG-CD2 4.35Å; K313-F317 HydrophobicContact CG-CE2 3.78Å; K313-F317 HydrophobicContact CG-CZ 4.07Å; K313-F317 WeakPolarHBondContact O-CD2 3.34Å; K313-F317 PolarHBondContact O-N 3.35Å; V314-F317 PolarHBondContact O-N 3.08Å; F317-S319 VanDerWaalsContact C-N 3.27Å; F317-S319 PolarHBondContact O-N 3.35Å; F317-Q320 PolarHBondContact O-N 3.45Å; F317-C321 PolarHBondContact O-N 3.3Å; F317-P371 HydrophobicContact CD1-CB 4.32Å; F317-P371 HydrophobicContact CE1-CB 3.47Å; F317-P371 VanDerWaalsContact CE1-CB 3.47Å; F317-P371 HydrophobicContact CE1-CG 4.42Å; F317-P371 HydrophobicContact CZ-CB 3.79Å; F317-Q375 HydrophobicContact CE1-CB 3.66Å; F317-Q375 HydrophobicContact CZ-CB 3.94Å; F317-L376 HydrophobicContact CD1-CD2 3.68Å; F317-L376 HydrophobicContact CE1-CD2 4.05Å
318Y97.7Very high96.1Very high4 Ų417.8 Ų17.82%0.0169%0.092CC..Hα-helixtrans-61.3-36.1175.4173.7-110.5000112.5L138 G284 V287 V314 H315 Q320 C321 L322 R325 A343 L347L138-Y318 HydrophobicContact CD1-CD1 4.19Å; L138-Y318 HydrophobicContact CD1-CD2 4.28Å; L138-Y318 HydrophobicContact CD1-CG 3.89Å; L138-Y318 HydrophobicContact CD2-CD2 3.28Å; L138-Y318 HydrophobicContact CD2-CE2 3.61Å; L138-Y318 HydrophobicContact CD2-CG 3.79Å; L138-Y318 HydrophobicContact CG-CD2 4.33Å; L138-Y318 HydrophobicContact CG-CG 4.4Å; G284-Y318 WeakPolarHBondContact CA-OH 3.24Å; V287-Y318 HydrophobicContact CG2-CD1 4.44Å; V287-Y318 HydrophobicContact CG2-CE1 3.74Å; V314-Y318 WeakPolarHBondContact O-CB 3.5Å; V314-Y318 PolarHBondContact O-N 3.4Å; H315-Y318 PolarHBondContact O-N 2.85Å; Y318-Q320 VanDerWaalsContact C-N 3.33Å; Y318-Q320 PolarHBondContact O-N 2.94Å; Y318-C321 PolarHBondContact O-N 2.87Å; Y318-L322 HydrophobicContact CE1-CB 4.37Å; Y318-L322 HydrophobicContact CE1-CD2 3.92Å; Y318-L322 WeakPolarHBondContact O-CB 3.35Å; Y318-L322 PolarHBondContact O-N 3.38Å; Y318-R325 VanDerWaalsContact CE2-NH2 3.31Å; Y318-R325 PolarHBondContact OH-NH2 2.68Å; Y318-A343 HydrophobicContact CE1-CB 4.07Å; Y318-L347 HydrophobicContact CD1-CD1 3.76Å; Y318-L347 HydrophobicContact CE1-CD1 3.84Å
319S98Very high96Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-62.6-38.4178.5-61.20000112.2H315 W316 F317 L322 L323 L351H315-S319 VanDerWaalsContact O-CB 3.31Å; H315-S319 WeakPolarHBondContact O-CB 3.3Å; H315-S319 PolarHBondContact O-N 3.29Å; H315-S319 PolarHBondContact O-OG 3.42Å; W316-S319 WeakPolarHBondContact O-CB 3.46Å; W316-S319 PolarHBondContact O-N 2.92Å; F317-S319 VanDerWaalsContact C-N 3.27Å; F317-S319 PolarHBondContact O-N 3.35Å; S319-L322 PolarHBondContact O-N 3.14Å; S319-L323 WeakPolarHBondContact O-CB 3.04Å; S319-L323 PolarHBondContact O-N 2.89Å; S319-L351 WeakPolarHBondContact OG-CD1 3.18Å
320Q96.5Very high95.9Very high16 Ų1619.5 Ų19.58%0.07510%0.1CC..Hα-helixtrans-64.9-50.1172.8-178.6178.5-48.800111.3W316 F317 Y318 L322 L323 D324 L376 D377 L383W316-Q320 PolarHBondContact O-N 2.84Å; F317-Q320 PolarHBondContact O-N 3.45Å; Y318-Q320 VanDerWaalsContact C-N 3.33Å; Y318-Q320 PolarHBondContact O-N 2.94Å; Q320-L322 PolarHBondContact O-N 3.18Å; Q320-L323 WeakPolarHBondContact O-CB 3.27Å; Q320-L323 PolarHBondContact O-N 3.12Å; Q320-D324 PolarHBondContact O-N 3.04Å; Q320-L376 HydrophobicContact CB-CD2 4.29Å; Q320-L376 VanDerWaalsContact OE1-CB 3.25Å; Q320-D377 VanDerWaalsContact NE2-CB 3.31Å; Q320-D377 PolarHBondContact NE2-OD2 2.69Å; Q320-L383 HydrophobicContact CB-CD1 4.36Å; Q320-L383 HydrophobicContact CB-CD2 4.34Å
321C96.2Very high95.8Very high35 Ų3523.7 Ų23.724%0.23613%0.127CC..Hα-helixtrans-60.3-36.7177.7-63.40000112.4C142 F317 Y318 R325C142-C321 VanDerWaalsContact SG-SG 3.62Å; F317-C321 PolarHBondContact O-N 3.3Å; Y318-C321 PolarHBondContact O-N 2.87Å; C321-R325 WeakPolarHBondContact O-CG 3.27Å; C321-R325 PolarHBondContact O-N 2.86Å
322L97Very high95.6Very high0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-67.1-44.6176.7177.862.1000111.2Y318 S319 Q320 D324 R325 L326 D340 A343 A344 L347Y318-L322 HydrophobicContact CE1-CB 4.37Å; Y318-L322 HydrophobicContact CE1-CD2 3.92Å; Y318-L322 WeakPolarHBondContact O-CB 3.35Å; Y318-L322 PolarHBondContact O-N 3.38Å; S319-L322 PolarHBondContact O-N 3.14Å; Q320-L322 PolarHBondContact O-N 3.18Å; L322-D324 VanDerWaalsContact C-N 3.31Å; L322-D324 PolarHBondContact O-N 3.5Å; L322-R325 VanDerWaalsContact CD1-NH2 3.34Å; L322-R325 PolarHBondContact O-N 2.96Å; L322-L326 HydrophobicContact CD1-CD1 4.02Å; L322-L326 HydrophobicContact CD1-CG 4.04Å; L322-L326 HydrophobicContact CG-CD1 4.01Å; L322-L326 HydrophobicContact CG-CG 4.4Å; L322-L326 WeakPolarHBondContact O-CB 3.43Å; L322-L326 WeakPolarHBondContact O-CG 3.37Å; L322-L326 PolarHBondContact O-N 3.13Å; L322-D340 HydrophobicContact CD1-CB 3.55Å; L322-D340 WeakPolarHBondContact CD1-O 3.47Å; L322-A343 HydrophobicContact CD2-CB 3.89Å; L322-A344 HydrophobicContact CD2-CB 3.8Å; L322-A344 HydrophobicContact CG-CB 4.38Å; L322-L347 HydrophobicContact CD2-CD1 3.99Å
323L97Very high95.2Very high4 Ų431.9 Ų31.92%0.02119%0.185CC..Hα-helixtrans-57.1-45.7174.917662.9000111.2S319 Q320 L326 T327 M378 L383 R386 L387 V390S319-L323 WeakPolarHBondContact O-CB 3.04Å; S319-L323 PolarHBondContact O-N 2.89Å; Q320-L323 WeakPolarHBondContact O-CB 3.27Å; Q320-L323 PolarHBondContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.35Å; L323-T327 VanDerWaalsContact O-CB 3.29Å; L323-T327 WeakPolarHBondContact O-CB 3.49Å; L323-T327 PolarHBondContact O-N 3.41Å; L323-T327 PolarHBondContact O-OG1 3.5Å; L323-M378 HydrophobicContact CD2-CE 3.78Å; L323-M378 HydrophobicContact CD2-SD 3.88Å; L323-L383 HydrophobicContact CB-CD1 4.29Å; L323-L383 HydrophobicContact CD2-CD1 3.71Å; L323-R386 HydrophobicContact CD1-CB 4.17Å; L323-R386 HydrophobicContact CD2-CB 3.64Å; L323-L387 HydrophobicContact CB-CD1 4.44Å; L323-V390 HydrophobicContact CD1-CB 4.26Å; L323-V390 HydrophobicContact CD1-CG2 3.68Å
324D95.2Very high95Very high57 Ų5737.2 Ų37.231%0.30521%0.209SC..Hα-helixtrans-61.5-47177.5-68.4-21.8000111.5Q320 L322 T327 N328Q320-D324 PolarHBondContact O-N 3.04Å; L322-D324 VanDerWaalsContact C-N 3.31Å; L322-D324 PolarHBondContact O-N 3.5Å; D324-T327 PolarHBondContact O-N 3.23Å; D324-N328 WeakPolarHBondContact O-CB 3.25Å; D324-N328 PolarHBondContact O-N 3.14Å; D324-N328 PolarHBondContact O-ND2 3.29Å; D324-N328 VanDerWaalsContact O-ND2 3.16Å
325R94.6Very high94.6Very high83 Ų8344.9 Ų44.931%0.31325%0.249SC..Hα-helixtrans-59.2-49.5177-74.1-161.5-51.8-87.70.6111.9Y318 C321 L322 T327 N328 N329 D340Y318-R325 VanDerWaalsContact CE2-NH2 3.31Å; Y318-R325 PolarHBondContact OH-NH2 2.68Å; C321-R325 WeakPolarHBondContact O-CG 3.27Å; C321-R325 PolarHBondContact O-N 2.86Å; L322-R325 VanDerWaalsContact CD1-NH2 3.34Å; L322-R325 PolarHBondContact O-N 2.96Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.24Å; R325-N328 PolarHBondContact O-N 3.4Å; R325-N329 PolarHBondContact O-N 2.82Å; R325-N329 PolarHBondContact O-ND2 3.27Å; R325-D340 IonicContact CZ-OD1 3.2Å; R325-D340 IonicContact CZ-OD2 3.63Å; R325-D340 IonicContact NE-OD1 2.88Å; R325-D340 IonicContact NE-OD2 2.81Å; R325-D340 PolarHBondContact NE-OD2 2.87Å; R325-D340 IonicContact NH2-OD1 3.89Å; R325-D340 PolarHBondContact NH2-OD1 3Å; R325-D340 IonicContact NH2-OD2 3.56Å; R325-D340 PolarHBondContact NH2-OD2 2.93Å
326L96Very high94.2Very high0 Ų045.9 Ų45.90%026%0.255CS..Hα-helixtrans-65.1-40.2-178.8-70.5177.6000111.7L322 L323 N329 L330 P336 D340 A344 V390 I394L322-L326 HydrophobicContact CD1-CD1 4.02Å; L322-L326 HydrophobicContact CD1-CG 4.04Å; L322-L326 HydrophobicContact CG-CD1 4.01Å; L322-L326 HydrophobicContact CG-CG 4.4Å; L322-L326 WeakPolarHBondContact O-CB 3.43Å; L322-L326 WeakPolarHBondContact O-CG 3.37Å; L322-L326 PolarHBondContact O-N 3.13Å; L323-L326 PolarHBondContact O-N 3.35Å; L326-N329 PolarHBondContact O-N 3.42Å; L326-L330 WeakPolarHBondContact O-CB 3.37Å; L326-L330 VanDerWaalsContact O-CG 3.24Å; L326-L330 WeakPolarHBondContact O-CG 3.45Å; L326-L330 PolarHBondContact O-N 3.1Å; L326-P336 HydrophobicContact CD2-CB 3.67Å; L326-P336 HydrophobicContact CD2-CG 4.25Å; L326-D340 HydrophobicContact CD2-CB 3.98Å; L326-A344 HydrophobicContact CD1-CB 3.55Å; L326-V390 HydrophobicContact CB-CG1 3.69Å; L326-V390 HydrophobicContact CD1-CG1 4.02Å; L326-V390 HydrophobicContact CG-CG1 4.49Å; L326-I394 HydrophobicContact CD1-CD1 4.37Å; L326-I394 HydrophobicContact CD2-CD1 4.17Å
327T95Very high93.8Very high40 Ų4049.4 Ų49.425%0.24528%0.277CS..Hα-helixtrans-61.5-46.5176.3-57.50000110.6L323 D324 R325 L330 T331L323-T327 VanDerWaalsContact O-CB 3.29Å; L323-T327 WeakPolarHBondContact O-CB 3.49Å; L323-T327 PolarHBondContact O-N 3.41Å; L323-T327 PolarHBondContact O-OG1 3.5Å; D324-T327 PolarHBondContact O-N 3.23Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.24Å; T327-L330 PolarHBondContact O-N 3.11Å; T327-T331 HydrophobicContact CG2-CG2 4.47Å; T327-T331 WeakPolarHBondContact O-CG2 3.5Å; T327-T331 PolarHBondContact O-N 3.29Å; T327-T331 PolarHBondContact O-OG1 3.43Å
328N93.8Very high93.5Very high87 Ų8754.2 Ų54.247%0.46530%0.302SS..Hα-helixtrans-62.2-45.2177.8-67.4-24.7000112.3D324 R325 L330 T331 D332D324-N328 WeakPolarHBondContact O-CB 3.25Å; D324-N328 PolarHBondContact O-N 3.14Å; D324-N328 PolarHBondContact O-ND2 3.29Å; D324-N328 VanDerWaalsContact O-ND2 3.16Å; R325-N328 PolarHBondContact O-N 3.4Å; N328-L330 VanDerWaalsContact C-N 3.27Å; N328-L330 PolarHBondContact O-N 2.79Å; N328-T331 WeakPolarHBondContact CA-OG1 3.33Å; N328-T331 PolarHBondContact O-N 2.77Å; N328-T331 PolarHBondContact O-OG1 2.86Å; N328-D332 WeakPolarHBondContact O-CB 3.46Å; N328-D332 VanDerWaalsContact O-CG 3.25Å; N328-D332 PolarHBondContact O-N 2.82Å
329N92Very high93.3Very high28 Ų2856.1 Ų56.115%0.1531%0.31CS..Hα-helixtrans-57.8-43.6175.6-65.9-21.7000111R325 L326 D332 G333 E334 P336R325-N329 PolarHBondContact O-N 2.82Å; R325-N329 PolarHBondContact O-ND2 3.27Å; L326-N329 PolarHBondContact O-N 3.42Å; N329-D332 PolarHBondContact O-N 3.38Å; N329-G333 PolarHBondContact O-N 3.14Å; N329-G333 VanDerWaalsContact O-N 3.09Å; N329-E334 HydrophobicContact CB-CB 4.42Å; N329-E334 PolarHBondContact O-N 3.44Å; N329-P336 HydrophobicContact CB-CB 4.47Å; N329-P336 HydrophobicContact CB-CG 4.08Å
330L90.9Very high93.1Very high28 Ų2857.1 Ų57.115%0.14732%0.315CS..Hα-helixtrans-68.5-34.3180-71.6175.2000113.4L326 T327 N328 V390 I394L326-L330 WeakPolarHBondContact O-CB 3.37Å; L326-L330 VanDerWaalsContact O-CG 3.24Å; L326-L330 WeakPolarHBondContact O-CG 3.45Å; L326-L330 PolarHBondContact O-N 3.1Å; T327-L330 PolarHBondContact O-N 3.11Å; N328-L330 VanDerWaalsContact C-N 3.27Å; N328-L330 PolarHBondContact O-N 2.79Å; L330-V390 HydrophobicContact CD1-CG1 3.93Å; L330-I394 HydrophobicContact CD1-CD1 4.48Å; L330-I394 HydrophobicContact CD1-CG1 4.13Å; L330-I394 HydrophobicContact CD2-CG1 4.05Å; L330-I394 HydrophobicContact CG-CG1 4.49Å
331T92.1Very high93.1Very high99 Ų9957.5 Ų57.561%0.60732%0.319SS*.Hα-helixtrans-72.8-38.5175.752.90000111.9T327 N328 G333T327-T331 HydrophobicContact CG2-CG2 4.47Å; T327-T331 WeakPolarHBondContact O-CG2 3.5Å; T327-T331 PolarHBondContact O-N 3.29Å; T327-T331 PolarHBondContact O-OG1 3.43Å; N328-T331 WeakPolarHBondContact CA-OG1 3.33Å; N328-T331 PolarHBondContact O-N 2.77Å; N328-T331 PolarHBondContact O-OG1 2.86Å; T331-G333 PolarHBondContact O-N 3.14Å
332D92.3Very high93Very high116 Ų11660.2 Ų60.262%0.6233%0.328SS*.Hα-helixtrans-81.5-5.4-178.2-63.5-8.9000112.1N328 N329 E334N328-D332 WeakPolarHBondContact O-CB 3.46Å; N328-D332 VanDerWaalsContact O-CG 3.25Å; N328-D332 PolarHBondContact O-N 2.82Å; N329-D332 PolarHBondContact O-N 3.38Å; D332-E334 HydrophobicContact CB-CG 4.13Å; D332-E334 PolarHBondContact O-N 2.91Å
333G89.6Confident93Very high60 Ų6060.3 Ų60.362%0.61933%0.329SS*.THydrogen-bonded Turntrans74.713-178.500000113.6N329 T331N329-G333 PolarHBondContact O-N 3.14Å; N329-G333 VanDerWaalsContact O-N 3.09Å; T331-G333 PolarHBondContact O-N 3.14Å
334E90.5Very high93Very high117 Ų11760.1 Ų60.155%0.54733%0.328SS..PPolyproline II helixtrans-79148177.7-61.2-167.1162.300111.3N329 D332 P336N329-E334 HydrophobicContact CB-CB 4.42Å; N329-E334 PolarHBondContact O-N 3.44Å; D332-E334 HydrophobicContact CB-CG 4.13Å; D332-E334 PolarHBondContact O-N 2.91Å; E334-P336 VanDerWaalsContact O-CD 3.31Å; E334-P336 WeakPolarHBondContact O-CD 3.48Å
335I88.6Confident93.1Very high163 Ų16360.8 Ų60.884%0.83633%0.329SS*.PPolyproline II helixtrans-78119.2174.9-60.6174.2000107.8
336P89.7Confident93.2Very high21 Ų2158.2 Ų58.214%0.13632%0.323CS..PPolyproline II helixtrans-60.4147178.2-23.334.4000112.4L326 N329 E334 I338 V341 I394L326-P336 HydrophobicContact CD2-CB 3.67Å; L326-P336 HydrophobicContact CD2-CG 4.25Å; N329-P336 HydrophobicContact CB-CB 4.47Å; N329-P336 HydrophobicContact CB-CG 4.08Å; E334-P336 VanDerWaalsContact O-CD 3.31Å; E334-P336 WeakPolarHBondContact O-CD 3.48Å; P336-I338 PolarHBondContact O-N 3.04Å; P336-V341 HydrophobicContact CB-CG2 3.78Å; P336-I394 HydrophobicContact CG-CD1 4.41Å
337V89.6Confident93.3Very high73 Ų7358.2 Ų58.244%0.44232%0.323SS..PPolyproline II helixtrans-62.8135.3175.8-179.50000109.8F339 D340 V341V337-F339 VanDerWaalsContact C-N 3.29Å; V337-F339 HydrophobicContact CG1-CD2 3.91Å; V337-F339 PolarHBondContact O-N 3.44Å; V337-D340 HydrophobicContact CB-CB 4.49Å; V337-D340 WeakPolarHBondContact O-CB 3.5Å; V337-D340 PolarHBondContact O-N 3.43Å; V337-V341 PolarHBondContact O-N 3.36Å
338I91.9Very high93.4Very high108 Ų10857 Ų5755%0.55432%0.318SS*.Hα-helixtrans-54.2-42.7-174.9-167.1166.3000113.2P336 D340 V341 E342P336-I338 PolarHBondContact O-N 3.04Å; I338-D340 VanDerWaalsContact C-N 3.3Å; I338-D340 PolarHBondContact O-N 2.97Å; I338-V341 PolarHBondContact O-N 2.79Å; I338-V341 VanDerWaalsContact O-N 3.16Å; I338-E342 PolarHBondContact O-N 2.85Å
339F92.5Very high93.6Very high44 Ų4457.9 Ų57.919%0.19332%0.317CS..Hα-helixtrans-62.8-35178.3-54.5-68.1000112.9K39 L285 V337 A343K39-F339 WeakPolarHBondContact O-CE2 3.26Å; L285-F339 HydrophobicContact CD2-CB 4.37Å; L285-F339 HydrophobicContact CD2-CD1 4.47Å; L285-F339 HydrophobicContact CD2-CD2 3.75Å; L285-F339 HydrophobicContact CD2-CE2 4.16Å; L285-F339 HydrophobicContact CD2-CG 3.94Å; V337-F339 VanDerWaalsContact C-N 3.29Å; V337-F339 HydrophobicContact CG1-CD2 3.91Å; V337-F339 PolarHBondContact O-N 3.44Å; F339-A343 WeakPolarHBondContact O-CB 3.47Å; F339-A343 PolarHBondContact O-N 2.79Å
340D94.8Very high93.8Very high20 Ų2058.1 Ų58.111%0.10732%0.32CS..Hα-helixtrans-69.6-37.7177-83.6-6.9000110.8L322 R325 L326 V337 I338 A344L322-D340 HydrophobicContact CD1-CB 3.55Å; L322-D340 WeakPolarHBondContact CD1-O 3.47Å; R325-D340 IonicContact CZ-OD1 3.2Å; R325-D340 IonicContact CZ-OD2 3.63Å; R325-D340 IonicContact NE-OD1 2.88Å; R325-D340 IonicContact NE-OD2 2.81Å; R325-D340 PolarHBondContact NE-OD2 2.87Å; R325-D340 IonicContact NH2-OD1 3.89Å; R325-D340 PolarHBondContact NH2-OD1 3Å; R325-D340 IonicContact NH2-OD2 3.56Å; R325-D340 PolarHBondContact NH2-OD2 2.93Å; L326-D340 HydrophobicContact CD2-CB 3.98Å; V337-D340 HydrophobicContact CB-CB 4.49Å; V337-D340 WeakPolarHBondContact O-CB 3.5Å; V337-D340 PolarHBondContact O-N 3.43Å; I338-D340 VanDerWaalsContact C-N 3.3Å; I338-D340 PolarHBondContact O-N 2.97Å; D340-A344 WeakPolarHBondContact O-CB 3.32Å; D340-A344 PolarHBondContact O-N 2.91Å
341V95.1Very high94.1Very high24 Ų2456.8 Ų56.815%0.14531%0.313CS..Hα-helixtrans-66.4-50.1175.4-177.50000110.8P336 V337 I338 A343 A344 E345 I394P336-V341 HydrophobicContact CB-CG2 3.78Å; V337-V341 PolarHBondContact O-N 3.36Å; I338-V341 PolarHBondContact O-N 2.79Å; I338-V341 VanDerWaalsContact O-N 3.16Å; V341-A343 VanDerWaalsContact C-N 3.31Å; V341-A343 PolarHBondContact O-N 3.21Å; V341-A344 PolarHBondContact O-N 2.52Å; V341-A344 VanDerWaalsContact O-N 3.16Å; V341-E345 WeakPolarHBondContact O-CG 3.44Å; V341-E345 PolarHBondContact O-N 2.8Å; V341-I394 HydrophobicContact CG1-CG2 4.02Å; V341-I394 HydrophobicContact CG2-CD1 4.41Å; V341-I394 HydrophobicContact CG2-CG2 4.29Å
342E94.9Very high94.4Very high92 Ų9254 Ų5443%0.4330%0.297SS..Hα-helixtrans-59.5-41.8177.6-73.4-177.9171.400111.9I338 E345 C346I338-E342 PolarHBondContact O-N 2.85Å; E342-E345 PolarHBondContact O-N 3.48Å; E342-C346 PolarHBondContact O-N 3.39Å; E342-C346 PolarHBondContact O-SG 3.14Å
343A97.3Very high94.6Very high2 Ų250.9 Ų50.92%0.01728%0.279CS..Hα-helixtrans-60.9-45.5175.200000111.7V287 Y318 L322 F339 V341 C346 L347V287-A343 HydrophobicContact CB-CB 3.89Å; V287-A343 HydrophobicContact CG1-CB 4.25Å; V287-A343 HydrophobicContact CG2-CB 3.72Å; Y318-A343 HydrophobicContact CE1-CB 4.07Å; L322-A343 HydrophobicContact CD2-CB 3.89Å; F339-A343 WeakPolarHBondContact O-CB 3.47Å; F339-A343 PolarHBondContact O-N 2.79Å; V341-A343 VanDerWaalsContact C-N 3.31Å; V341-A343 PolarHBondContact O-N 3.21Å; A343-C346 PolarHBondContact O-N 2.72Å; A343-L347 WeakPolarHBondContact O-CB 3.38Å; A343-L347 WeakPolarHBondContact O-CD1 3.13Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.25Å; A343-L347 PolarHBondContact O-N 3.23Å
344A97.6Very high95Very high0 Ų048.8 Ų48.80%025%0.253CS..Hα-helixtrans-65.1-41.8179.400000111.8L322 L326 D340 V341 C346 L347 A348 L387 V391L322-A344 HydrophobicContact CD2-CB 3.8Å; L322-A344 HydrophobicContact CG-CB 4.38Å; L326-A344 HydrophobicContact CD1-CB 3.55Å; D340-A344 WeakPolarHBondContact O-CB 3.32Å; D340-A344 PolarHBondContact O-N 2.91Å; V341-A344 PolarHBondContact O-N 2.52Å; V341-A344 VanDerWaalsContact O-N 3.16Å; A344-C346 VanDerWaalsContact C-N 3.31Å; A344-C346 PolarHBondContact O-N 3.02Å; A344-L347 PolarHBondContact O-N 3.34Å; A344-A348 WeakPolarHBondContact O-CB 3.41Å; A344-A348 PolarHBondContact O-N 3.48Å; A344-L387 HydrophobicContact CB-CD1 3.92Å; A344-V391 HydrophobicContact CB-CG2 3.62Å
345E96.8Very high95.3Very high71 Ų7146.4 Ų46.433%0.33224%0.239SC..Hα-helixtrans-61.1-38.5175-74.6-178.417600112.6V341 E342 K349 V391V341-E345 WeakPolarHBondContact O-CG 3.44Å; V341-E345 PolarHBondContact O-N 2.8Å; E342-E345 PolarHBondContact O-N 3.48Å; E345-K349 WeakPolarHBondContact O-CD 3.22Å; E345-K349 WeakPolarHBondContact O-CG 3.32Å; E345-V391 HydrophobicContact CG-CG1 3.73Å
346C97.1Very high95.7Very high29 Ų2942.3 Ų42.320%0.19623%0.225CC..Hα-helixtrans-70.8-47176.3-66.60000111.5V287 L291 E342 A343 A344 K349 V350V287-C346 HydrophobicContact CG1-CB 4.48Å; L291-C346 HydrophobicContact CD1-CB 3.79Å; E342-C346 PolarHBondContact O-N 3.39Å; E342-C346 PolarHBondContact O-SG 3.14Å; A343-C346 PolarHBondContact O-N 2.72Å; A344-C346 VanDerWaalsContact C-N 3.31Å; A344-C346 PolarHBondContact O-N 3.02Å; C346-K349 PolarHBondContact O-N 2.93Å; C346-V350 WeakPolarHBondContact O-CG2 3.42Å; C346-V350 PolarHBondContact O-N 3.06Å
347L98Very high95.9Very high0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-68.3-39.7-177-71.7163.7000111.9V287 L291 H315 Y318 L322 A343 A344 K349 V350 L351 L387V287-L347 HydrophobicContact CG1-CD1 4.16Å; V287-L347 HydrophobicContact CG1-CD2 4.32Å; V287-L347 HydrophobicContact CG1-CG 4.01Å; L291-L347 HydrophobicContact CD1-CD2 4.44Å; H315-L347 HydrophobicContact CB-CD2 4.08Å; Y318-L347 HydrophobicContact CD1-CD1 3.76Å; Y318-L347 HydrophobicContact CE1-CD1 3.84Å; L322-L347 HydrophobicContact CD2-CD1 3.99Å; A343-L347 WeakPolarHBondContact O-CB 3.38Å; A343-L347 WeakPolarHBondContact O-CD1 3.13Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.25Å; A343-L347 PolarHBondContact O-N 3.23Å; A344-L347 PolarHBondContact O-N 3.34Å; L347-K349 PolarHBondContact O-N 3.31Å; L347-K349 VanDerWaalsContact O-N 3.1Å; L347-V350 PolarHBondContact O-N 2.76Å; L347-L351 HydrophobicContact CB-CD1 4.31Å; L347-L351 HydrophobicContact CB-CG 4.33Å; L347-L351 HydrophobicContact CD2-CD2 4.45Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.28Å; L347-L351 PolarHBondContact O-N 3.06Å; L347-L387 HydrophobicContact CB-CD2 3.9Å
348A97.4Very high96.2Very high16 Ų1642.2 Ų42.213%0.13222%0.216CC..Hα-helixtrans-57.2-27.6175.700000112.9A344 P352 L387 V391A344-A348 WeakPolarHBondContact O-CB 3.41Å; A344-A348 PolarHBondContact O-N 3.48Å; A348-P352 VanDerWaalsContact O-CD 3.26Å; A348-P352 WeakPolarHBondContact O-CD 3.46Å; A348-P352 WeakPolarHBondContact O-CG 3.38Å; A348-L387 HydrophobicContact CB-CD2 4.37Å; A348-L387 HydrophobicContact CB-CG 4.43Å; A348-V391 HydrophobicContact CB-CG2 4.36Å
349K96.4Very high96.3Very high104 Ų10440.2 Ų40.245%0.45220%0.204SC..Hα-helixtrans-82.9-35175.5-65.1169.1-173.1169.60113E345 C346 L347 I436E345-K349 WeakPolarHBondContact O-CD 3.22Å; E345-K349 WeakPolarHBondContact O-CG 3.32Å; C346-K349 PolarHBondContact O-N 2.93Å; L347-K349 PolarHBondContact O-N 3.31Å; L347-K349 VanDerWaalsContact O-N 3.1Å; K349-I436 HydrophobicContact CD-CD1 4.08Å
350V97.1Very high96.4Very high34 Ų3445 Ų4521%0.20623%0.231CC..Hα-helixtrans-92.6-38.1-169.9175.10000112.9L291 C346 L347 P352 L353 W354L291-V350 HydrophobicContact CD1-CG2 4.25Å; L291-V350 HydrophobicContact CD2-CG1 4.41Å; C346-V350 WeakPolarHBondContact O-CG2 3.42Å; C346-V350 PolarHBondContact O-N 3.06Å; L347-V350 PolarHBondContact O-N 2.76Å; V350-P352 VanDerWaalsContact C-CD 3.47Å; V350-L353 WeakPolarHBondContact O-CB 3.14Å; V350-L353 PolarHBondContact O-N 3.13Å; V350-L353 VanDerWaalsContact O-N 3.08Å; V350-W354 HydrophobicContact CG1-CD2 3.61Å; V350-W354 HydrophobicContact CG1-CE3 4.13Å; V350-W354 HydrophobicContact CG1-CG 4.1Å; V350-W354 HydrophobicContact CG1-CH2 3.98Å; V350-W354 HydrophobicContact CG1-CZ2 3.44Å; V350-W354 VanDerWaalsContact CG1-CZ2 3.44Å; V350-W354 HydrophobicContact CG1-CZ3 4.29Å; V350-W354 PolarHBondContact O-N 2.76Å
351L97.8Very high96.3Very high0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-56.6-42.3-179.6-65.5177.3000113.8W316 S319 L347 L353 W354 Y355 I384 L387W316-L351 HydrophobicContact CD2-CD2 3.76Å; W316-L351 HydrophobicContact CE3-CD1 4.35Å; W316-L351 HydrophobicContact CE3-CD2 3.82Å; W316-L351 HydrophobicContact CG-CD2 4.39Å; W316-L351 HydrophobicContact CH2-CB 3.81Å; W316-L351 HydrophobicContact CH2-CD2 4.03Å; W316-L351 HydrophobicContact CH2-CG 4.35Å; W316-L351 HydrophobicContact CZ2-CB 4.22Å; W316-L351 HydrophobicContact CZ2-CD2 3.95Å; W316-L351 HydrophobicContact CZ3-CB 4.14Å; W316-L351 HydrophobicContact CZ3-CD1 4.1Å; W316-L351 HydrophobicContact CZ3-CD2 3.96Å; W316-L351 HydrophobicContact CZ3-CG 4.29Å; S319-L351 WeakPolarHBondContact OG-CD1 3.18Å; L347-L351 HydrophobicContact CB-CD1 4.31Å; L347-L351 HydrophobicContact CB-CG 4.33Å; L347-L351 HydrophobicContact CD2-CD2 4.45Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.28Å; L347-L351 PolarHBondContact O-N 3.06Å; L351-L353 VanDerWaalsContact C-N 3.28Å; L351-L353 PolarHBondContact O-N 3.36Å; L351-W354 HydrophobicContact CD2-CE3 4.01Å; L351-W354 HydrophobicContact CD2-CZ3 4.23Å; L351-W354 PolarHBondContact O-N 3.33Å; L351-Y355 WeakPolarHBondContact O-CB 3.5Å; L351-Y355 PolarHBondContact O-N 2.97Å; L351-I384 HydrophobicContact CB-CD1 4.46Å; L351-I384 HydrophobicContact CB-CG1 3.84Å; L351-L387 HydrophobicContact CD1-CD2 3.9Å
352P97.8Very high96.3Very high41 Ų4148.4 Ų48.427%0.26625%0.252SS..Hα-helixtrans-59.8-38.3175.7-19.128.5000112.9A348 V350 S356 I384A348-P352 VanDerWaalsContact O-CD 3.26Å; A348-P352 WeakPolarHBondContact O-CD 3.46Å; A348-P352 WeakPolarHBondContact O-CG 3.38Å; V350-P352 VanDerWaalsContact C-CD 3.47Å; P352-S356 WeakPolarHBondContact O-CB 3.34Å; P352-S356 PolarHBondContact O-N 3.26Å; P352-S356 PolarHBondContact O-OG 2.76Å; P352-I384 HydrophobicContact CB-CG2 4.46Å; P352-I384 HydrophobicContact CG-CG2 3.75Å
353L96.6Very high96Very high49 Ų4947.6 Ų47.626%0.25726%0.255SS..Hα-helixtrans-69.4-44.4-179.9-60175.4000111V350 L351 K357 L443V350-L353 WeakPolarHBondContact O-CB 3.14Å; V350-L353 PolarHBondContact O-N 3.13Å; V350-L353 VanDerWaalsContact O-N 3.08Å; L351-L353 VanDerWaalsContact C-N 3.28Å; L351-L353 PolarHBondContact O-N 3.36Å; L353-K357 VanDerWaalsContact O-CG 3.31Å; L353-K357 WeakPolarHBondContact O-CG 3.38Å; L353-K357 PolarHBondContact O-N 3.15Å; L353-L443 HydrophobicContact CD1-CD1 3.98Å
354W97.2Very high95.4Very high16 Ų1655.3 Ų55.36%0.06129%0.291CS..Hα-helixtrans-62.8-48.7174.3-69.3-12.4000111.2L291 Y294 F311 E312 H315 V350 L351 S356 K357 R358L291-W354 HydrophobicContact CD2-CH2 3.51Å; L291-W354 HydrophobicContact CD2-CZ2 3.76Å; Y294-W354 HydrophobicContact CD1-CZ2 4.09Å; Y294-W354 HydrophobicContact CE1-CZ2 4.12Å; F311-W354 HydrophobicContact CD1-CH2 4.24Å; F311-W354 HydrophobicContact CD1-CZ2 4.48Å; F311-W354 AromaticContact CE1-CH2 3.95Å; F311-W354 HydrophobicContact CE1-CH2 3.95Å; F311-W354 HydrophobicContact CE1-CZ2 4.19Å; E312-W354 HydrophobicContact CB-CD2 4.24Å; E312-W354 HydrophobicContact CB-CE3 3.92Å; E312-W354 HydrophobicContact CB-CH2 4.43Å; E312-W354 HydrophobicContact CB-CZ3 4.04Å; E312-W354 HydrophobicContact CG-CD2 3.83Å; E312-W354 HydrophobicContact CG-CE3 4.01Å; E312-W354 HydrophobicContact CG-CG 4.39Å; E312-W354 HydrophobicContact CG-CH2 4.16Å; E312-W354 HydrophobicContact CG-CZ2 3.98Å; E312-W354 HydrophobicContact CG-CZ3 4.18Å; H315-W354 HydrophobicContact CB-CH2 4.14Å; H315-W354 HydrophobicContact CB-CZ3 3.78Å; V350-W354 HydrophobicContact CG1-CD2 3.61Å; V350-W354 HydrophobicContact CG1-CE3 4.13Å; V350-W354 HydrophobicContact CG1-CG 4.1Å; V350-W354 HydrophobicContact CG1-CH2 3.98Å; V350-W354 HydrophobicContact CG1-CZ2 3.44Å; V350-W354 VanDerWaalsContact CG1-CZ2 3.44Å; V350-W354 HydrophobicContact CG1-CZ3 4.29Å; V350-W354 PolarHBondContact O-N 2.76Å; L351-W354 HydrophobicContact CD2-CE3 4.01Å; L351-W354 HydrophobicContact CD2-CZ3 4.23Å; L351-W354 PolarHBondContact O-N 3.33Å; W354-S356 VanDerWaalsContact C-N 3.34Å; W354-S356 PolarHBondContact O-N 2.85Å; W354-K357 PolarHBondContact O-N 2.92Å; W354-K357 VanDerWaalsContact O-N 3.12Å; W354-R358 VanDerWaalsContact O-CG 3.22Å; W354-R358 WeakPolarHBondContact O-CG 3.38Å; W354-R358 PolarHBondContact O-N 2.61Å
355Y97.1Very high95Very high67 Ų6757.8 Ų57.826%0.26330%0.302SS..Hα-helixtrans-56.6-48.3179.3-174.5-103.5000111.8W316 L351 K357 R358 H359 L370 C380 P381 I384W316-Y355 HydrophobicContact CH2-CD2 4.48Å; L351-Y355 WeakPolarHBondContact O-CB 3.5Å; L351-Y355 PolarHBondContact O-N 2.97Å; Y355-K357 PolarHBondContact O-N 3.39Å; Y355-R358 PolarHBondContact O-N 2.98Å; Y355-R358 VanDerWaalsContact O-N 3.15Å; Y355-H359 HydrophobicContact CD1-CB 4.46Å; Y355-H359 HydrophobicContact CD2-CB 4.2Å; Y355-H359 HydrophobicContact CE1-CB 4.09Å; Y355-H359 HydrophobicContact CE2-CB 3.8Å; Y355-H359 WeakPolarHBondContact O-CB 3.27Å; Y355-H359 PolarHBondContact O-N 3.13Å; Y355-H359 PolarHBondContact O-ND1 3.23Å; Y355-L370 HydrophobicContact CD2-CD1 4.21Å; Y355-L370 HydrophobicContact CE2-CD1 4.42Å; Y355-C380 HydrophobicContact CD2-CB 3.71Å; Y355-C380 HydrophobicContact CE2-CB 3.73Å; Y355-P381 HydrophobicContact CE1-CG 3.82Å; Y355-P381 HydrophobicContact CE2-CG 4.18Å; Y355-P381 WeakPolarHBondContact OH-CG 3.45Å; Y355-I384 HydrophobicContact CG-CD1 4.25Å
356S96.4Very high94.9Very high77 Ų7758.4 Ų58.454%0.53830%0.302SS..Hα-helixtrans-57.2-37.4179.1-58.70000112.6P352 W354 H359P352-S356 WeakPolarHBondContact O-CB 3.34Å; P352-S356 PolarHBondContact O-N 3.26Å; P352-S356 PolarHBondContact O-OG 2.76Å; W354-S356 VanDerWaalsContact C-N 3.34Å; W354-S356 PolarHBondContact O-N 2.85Å; S356-H359 PolarHBondContact O-CE1 3.41Å; S356-H359 VanDerWaalsContact O-CE1 3.32Å; S356-H359 PolarHBondContact O-ND1 2.63Å; S356-H359 VanDerWaalsContact O-ND1 3.14Å
357K94.1Very high94.6Very high69 Ų6959.5 Ų59.530%0.331%0.305SS..Hα-helixtrans-75.8-32.2178.3-73.1173.9169.4-136.30114.8L353 W354 Y355 L443L353-K357 VanDerWaalsContact O-CG 3.31Å; L353-K357 WeakPolarHBondContact O-CG 3.38Å; L353-K357 PolarHBondContact O-N 3.15Å; W354-K357 PolarHBondContact O-N 2.92Å; W354-K357 VanDerWaalsContact O-N 3.12Å; Y355-K357 PolarHBondContact O-N 3.39Å; K357-L443 VanDerWaalsContact CE-CB 3.48Å; K357-L443 WeakPolarHBondContact CE-O 3.46Å; K357-L443 PolarHBondContact NZ-O 3.12Å
358R95.8Very high94.2Very high24 Ų2461.8 Ų61.89%0.09131%0.314CS..Hα-helixtrans-104.6-27.3-166-54.9-56.5-178-154.21.6113.8E312 W354 Y355 L360 L361 F369 L370E312-R358 IonicContact OE1-CZ 3.22Å; E312-R358 IonicContact OE1-NE 3.23Å; E312-R358 IonicContact OE1-NH2 2.77Å; E312-R358 PolarHBondContact OE1-NH2 2.9Å; E312-R358 IonicContact OE2-NE 2.93Å; E312-R358 PolarHBondContact OE2-NE 3.1Å; E312-R358 IonicContact OE2-NH2 3.69Å; W354-R358 VanDerWaalsContact O-CG 3.22Å; W354-R358 WeakPolarHBondContact O-CG 3.38Å; W354-R358 PolarHBondContact O-N 2.61Å; Y355-R358 PolarHBondContact O-N 2.98Å; Y355-R358 VanDerWaalsContact O-N 3.15Å; R358-L360 PolarHBondContact O-N 2.93Å; R358-L360 VanDerWaalsContact O-N 3.16Å; R358-L361 HydrophobicContact CB-CD1 4.23Å; R358-L361 WeakPolarHBondContact O-CB 3.16Å; R358-L361 WeakPolarHBondContact O-CG 3.21Å; R358-L361 PolarHBondContact O-N 3.15Å; R358-F369 HydrophobicContact CB-CB 4.26Å; R358-F369 HydrophobicContact CG-CB 3.75Å; R358-F369 HydrophobicContact CG-CD2 4.38Å; R358-F369 HydrophobicContact CG-CG 4.06Å; R358-L370 HydrophobicContact CB-CD1 3.86Å; R358-L370 HydrophobicContact CB-CD2 4.1Å; R358-L370 HydrophobicContact CB-CG 3.8Å
359H93.6Very high94Very high66 Ų6661.6 Ų61.631%0.30631%0.311SS..THydrogen-bonded Turntrans-65.1-23.3-169.674.9-73000114.6Y355 S356 L370Y355-H359 HydrophobicContact CD1-CB 4.46Å; Y355-H359 HydrophobicContact CD2-CB 4.2Å; Y355-H359 HydrophobicContact CE1-CB 4.09Å; Y355-H359 HydrophobicContact CE2-CB 3.8Å; Y355-H359 WeakPolarHBondContact O-CB 3.27Å; Y355-H359 PolarHBondContact O-N 3.13Å; Y355-H359 PolarHBondContact O-ND1 3.23Å; S356-H359 PolarHBondContact O-CE1 3.41Å; S356-H359 VanDerWaalsContact O-CE1 3.32Å; S356-H359 PolarHBondContact O-ND1 2.63Å; S356-H359 VanDerWaalsContact O-ND1 3.14Å; H359-L370 HydrophobicContact CB-CD1 4.36Å
360L94.5Very high94Very high145 Ų14557.1 Ų57.176%0.75929%0.292SS*.THydrogen-bonded Turntrans-94.4-1.3176.8-60.4177.4000113.8R358R358-L360 PolarHBondContact O-N 2.93Å; R358-L360 VanDerWaalsContact O-N 3.16Å
361L94.4Very high93.8Very high42 Ų4256.1 Ų56.122%0.2229%0.285CS..SBendtrans-67.4154.5177.4-66.3176.5000111.1R358 E365 R366 F369R358-L361 HydrophobicContact CB-CD1 4.23Å; R358-L361 WeakPolarHBondContact O-CB 3.16Å; R358-L361 WeakPolarHBondContact O-CG 3.21Å; R358-L361 PolarHBondContact O-N 3.15Å; L361-E365 HydrophobicContact CB-CB 4.28Å; L361-E365 HydrophobicContact CD1-CB 4.36Å; L361-R366 HydrophobicContact CB-CB 4.08Å; L361-F369 HydrophobicContact CD1-CD2 4.14Å; L361-F369 HydrophobicContact CD1-CE2 4.29Å
362P94.4Very high93.2Very high72 Ų7259.1 Ų59.147%0.46830%0.301SS..  trans-52.9147.9169.2-23.934000111.2E364 E365 R366P362-E364 VanDerWaalsContact C-N 3.26Å; P362-E364 PolarHBondContact O-N 2.88Å; P362-E364 VanDerWaalsContact O-N 3.13Å; P362-E365 PolarHBondContact O-N 2.97Å; P362-E365 VanDerWaalsContact O-N 3.09Å; P362-R366 WeakPolarHBondContact O-CB 3.01Å; P362-R366 PolarHBondContact O-N 3.43Å
363P88.8Confident92.3Very high75 Ų7564.7 Ų64.749%0.48732%0.324SS..Hα-helixtrans-50-43.2-175.9-29.335.5000114E365 R366 D367P363-E365 VanDerWaalsContact C-N 3.33Å; P363-E365 PolarHBondContact O-N 3.26Å; P363-R366 PolarHBondContact O-N 3.21Å; P363-D367 WeakPolarHBondContact O-CB 3.3Å; P363-D367 PolarHBondContact O-N 2.86Å; P363-D367 VanDerWaalsContact O-OD1 3.11Å
364E84.6Confident91.7Very high165 Ų16567.7 Ų67.777%0.77135%0.349SS*.Hα-helixtrans-60.2-39.1-178.1-60.4-178.7-172.300113.5P362P362-E364 VanDerWaalsContact C-N 3.26Å; P362-E364 PolarHBondContact O-N 2.88Å; P362-E364 VanDerWaalsContact O-N 3.13Å
365E89.7Confident91.3Very high52 Ų5268.7 Ų68.724%0.24335%0.354CS..Hα-helixtrans-82.8-42.1176.3-70.1-179.9-142.400111.5L361 P362 P363 D367 Y368 F369L361-E365 HydrophobicContact CB-CB 4.28Å; L361-E365 HydrophobicContact CD1-CB 4.36Å; P362-E365 PolarHBondContact O-N 2.97Å; P362-E365 VanDerWaalsContact O-N 3.09Å; P363-E365 VanDerWaalsContact C-N 3.33Å; P363-E365 PolarHBondContact O-N 3.26Å; E365-D367 VanDerWaalsContact C-N 3.26Å; E365-D367 PolarHBondContact O-N 3.44Å; E365-Y368 WeakPolarHBondContact O-CB 3.43Å; E365-Y368 PolarHBondContact O-N 2.89Å; E365-Y368 VanDerWaalsContact O-N 3.08Å; E365-F369 WeakPolarHBondContact O-CD2 3.35Å
366R93.1Very high91Very high84 Ų8466.2 Ų66.232%0.31735%0.346SS..Hα-helixtrans-57.6-43.6-179.8-175.9-175.766-164.5-3.8111L361 P362 P363 Y368 F369 L370L361-R366 HydrophobicContact CB-CB 4.08Å; P362-R366 WeakPolarHBondContact O-CB 3.01Å; P362-R366 PolarHBondContact O-N 3.43Å; P363-R366 PolarHBondContact O-N 3.21Å; R366-Y368 PolarHBondContact O-N 2.85Å; R366-F369 PolarHBondContact O-N 3.17Å; R366-F369 VanDerWaalsContact O-N 3.08Å; R366-L370 HydrophobicContact CG-CB 4.38Å; R366-L370 HydrophobicContact CG-CD1 3.98Å; R366-L370 HydrophobicContact CG-CG 4.39Å; R366-L370 PolarHBondContact O-N 2.93Å
367D90.9Very high90.7Very high51 Ų5167.6 Ų67.627%0.27335%0.347SS..Hα-helixtrans-70.2-11.3-177.6-64.11.5000111.9K313 P363 E365 N372K313-D367 WeakPolarHBondContact CE-O 3.48Å; K313-D367 PolarHBondContact NZ-O 3.22Å; P363-D367 WeakPolarHBondContact O-CB 3.3Å; P363-D367 PolarHBondContact O-N 2.86Å; P363-D367 VanDerWaalsContact O-OD1 3.11Å; E365-D367 VanDerWaalsContact C-N 3.26Å; E365-D367 PolarHBondContact O-N 3.44Å; D367-N372 PolarHBondContact OD1-OD1 3.42Å
368Y90.8Very high90.6Very high48 Ų4866.9 Ų66.919%0.18835%0.345CS..Hα-helixtrans-75.4-40.9168.2-179.6-97.5000111.5N310 K313 E365 R366N310-Y368 PolarHBondContact N-OH 2.85Å; N310-Y368 WeakPolarHBondContact OD1-CD2 3.41Å; N310-Y368 WeakPolarHBondContact OD1-CE2 3.36Å; N310-Y368 PolarHBondContact OD1-O 2.84Å; K313-Y368 WeakPolarHBondContact CE-O 3.29Å; E365-Y368 WeakPolarHBondContact O-CB 3.43Å; E365-Y368 PolarHBondContact O-N 2.89Å; E365-Y368 VanDerWaalsContact O-N 3.08Å; R366-Y368 PolarHBondContact O-N 2.85Å
369F94Very high90.5Very high13 Ų1370 Ų706%0.05736%0.363CS..Hα-helixtrans-92.5-38.6-173.5-61-76.9000113.9E312 K313 R358 L361 E365 R366E312-F369 HydrophobicContact CB-CD1 4.43Å; E312-F369 HydrophobicContact CG-CD1 4.23Å; K313-F369 WeakPolarHBondContact CA-O 3.49Å; K313-F369 PolarHBondContact N-O 2.79Å; R358-F369 HydrophobicContact CB-CB 4.26Å; R358-F369 HydrophobicContact CG-CB 3.75Å; R358-F369 HydrophobicContact CG-CD2 4.38Å; R358-F369 HydrophobicContact CG-CG 4.06Å; L361-F369 HydrophobicContact CD1-CD2 4.14Å; L361-F369 HydrophobicContact CD1-CE2 4.29Å; E365-F369 WeakPolarHBondContact O-CD2 3.35Å; R366-F369 PolarHBondContact O-N 3.17Å; R366-F369 VanDerWaalsContact O-N 3.08Å
370L94.7Very high90.6Very high10 Ų1067.5 Ų67.55%0.05235%0.353CS..SBendtrans-107.9145.7-174.5-60-175000111K313 W316 Y355 R358 H359 R366K313-L370 WeakPolarHBondContact CE-O 3.26Å; W316-L370 HydrophobicContact CZ2-CD2 3.94Å; W316-L370 VanDerWaalsContact NE1-CD2 3.31Å; Y355-L370 HydrophobicContact CD2-CD1 4.21Å; Y355-L370 HydrophobicContact CE2-CD1 4.42Å; R358-L370 HydrophobicContact CB-CD1 3.86Å; R358-L370 HydrophobicContact CB-CD2 4.1Å; R358-L370 HydrophobicContact CB-CG 3.8Å; H359-L370 HydrophobicContact CB-CD1 4.36Å; R366-L370 HydrophobicContact CG-CB 4.38Å; R366-L370 HydrophobicContact CG-CD1 3.98Å; R366-L370 HydrophobicContact CG-CG 4.39Å; R366-L370 PolarHBondContact O-N 2.93Å
371P92.7Very high90.7Very high12 Ų1263.2 Ų63.28%0.07833%0.334CS..  trans-72.3148.7170.130.8-34.3000111.2K313 W316 F317 Q375 L376K313-P371 HydrophobicContact CG-CB 4.32Å; W316-P371 HydrophobicContact CB-CG 3.9Å; W316-P371 HydrophobicContact CG-CG 4.26Å; F317-P371 HydrophobicContact CD1-CB 4.32Å; F317-P371 HydrophobicContact CE1-CB 3.47Å; F317-P371 VanDerWaalsContact CE1-CB 3.47Å; F317-P371 HydrophobicContact CE1-CG 4.42Å; F317-P371 HydrophobicContact CZ-CB 3.79Å; P371-Q375 HydrophobicContact CB-CB 4.27Å; P371-L376 HydrophobicContact CB-CD1 4.26Å; P371-L376 HydrophobicContact CB-CD2 4.36Å; P371-L376 HydrophobicContact CB-CG 3.94Å; P371-L376 HydrophobicContact CG-CD1 3.39Å; P371-L376 HydrophobicContact CG-CD2 4.07Å; P371-L376 HydrophobicContact CG-CG 3.61Å
372N86.5Confident90.8Very high63 Ų6363.5 Ų63.534%0.33734%0.339SS..  trans-69.7157.4171.9-74.8-34.1000111.2D367 S374 Q375D367-N372 PolarHBondContact OD1-OD1 3.42Å; N372-S374 PolarHBondContact O-N 2.82Å; N372-Q375 HydrophobicContact CB-CG 4.12Å; N372-Q375 PolarHBondContact O-N 2.99Å
373Q78.9Confident90.9Very high159 Ų15960 Ų6074%0.74332%0.317SS*.THydrogen-bonded Turntrans-57.8-26.2-178.5-175.1172.69.100113.5L379Q373-L379 HydrophobicContact CG-CD2 3.78Å
374S84.4Confident91.3Very high111 Ų11157.6 Ų57.678%0.77630%0.3SS*.THydrogen-bonded Turntrans-80.5-14.7176.953.20000114.4N372N372-S374 PolarHBondContact O-N 2.82Å
375Q87.8Confident91.9Very high37 Ų3755.2 Ų55.217%0.17329%0.289CS..THydrogen-bonded Turntrans-95.8-13.7-172-60.7-178-66.600113.4P144 F317 P371 N372P144-Q375 HydrophobicContact CG-CB 4.21Å; F317-Q375 HydrophobicContact CE1-CB 3.66Å; F317-Q375 HydrophobicContact CZ-CB 3.94Å; P371-Q375 HydrophobicContact CB-CB 4.27Å; N372-Q375 HydrophobicContact CB-CG 4.12Å; N372-Q375 PolarHBondContact O-N 2.99Å
376L90.6Very high92.3Very high16 Ų1658 Ų588%0.08430%0.297CS..SBendtrans-113.2149.8173.1-65.5-178.9000110.8F317 Q320 P371 M378 L383F317-L376 HydrophobicContact CD1-CD2 3.68Å; F317-L376 HydrophobicContact CE1-CD2 4.05Å; Q320-L376 HydrophobicContact CB-CD2 4.29Å; Q320-L376 VanDerWaalsContact OE1-CB 3.25Å; P371-L376 HydrophobicContact CB-CD1 4.26Å; P371-L376 HydrophobicContact CB-CD2 4.36Å; P371-L376 HydrophobicContact CB-CG 3.94Å; P371-L376 HydrophobicContact CG-CD1 3.39Å; P371-L376 HydrophobicContact CG-CD2 4.07Å; P371-L376 HydrophobicContact CG-CG 3.61Å; L376-M378 WeakPolarHBondContact CB-O 3.35Å; L376-M378 PolarHBondContact O-N 3.23Å; L376-L383 HydrophobicContact CD1-CD2 4.24Å
377D90.1Very high92.5Very high106 Ų10654 Ų5457%0.56728%0.282SS*.SBendtrans-72.6-18.1174.5-69.2-17.5000111.5Q320Q320-D377 VanDerWaalsContact NE2-CB 3.31Å; Q320-D377 PolarHBondContact NE2-OD2 2.69Å
378M92.2Very high92.8Very high53 Ų5353.3 Ų53.326%0.26128%0.281SS..SBendtrans-143.8161.1176.267.3-171.175.200111.5L323 L376 L383 R386L323-M378 HydrophobicContact CD2-CE 3.78Å; L323-M378 HydrophobicContact CD2-SD 3.88Å; L376-M378 WeakPolarHBondContact CB-O 3.35Å; L376-M378 PolarHBondContact O-N 3.23Å; M378-L383 HydrophobicContact CG-CB 3.97Å; M378-L383 HydrophobicContact SD-CB 4.12Å; M378-L383 HydrophobicContact SD-CD1 4.23Å; M378-R386 HydrophobicContact SD-CG 4.36Å
379L94Very high93Very high90 Ų9054.7 Ų54.747%0.47129%0.289SS..  trans-66150.7178.4-61.5176.5000111.6Q373 S382 L383Q373-L379 HydrophobicContact CG-CD2 3.78Å; L379-S382 WeakPolarHBondContact O-CB 3.18Å; L379-S382 PolarHBondContact O-N 3.13Å; L379-L383 PolarHBondContact O-N 3.47Å
380C95.8Very high93Very high13 Ų1354.5 Ų54.59%0.08829%0.289CS..Hα-helixtrans-51.7-45178.8-70.10000113.6W316 Y355 S382 L383 I384W316-C380 HydrophobicContact CE3-CB 4.37Å; W316-C380 HydrophobicContact CH2-CB 3.91Å; W316-C380 HydrophobicContact CZ3-CB 3.78Å; Y355-C380 HydrophobicContact CD2-CB 3.71Å; Y355-C380 HydrophobicContact CE2-CB 3.73Å; C380-S382 PolarHBondContact O-N 3.01Å; C380-L383 PolarHBondContact O-N 2.69Å; C380-I384 WeakPolarHBondContact O-CG1 3.4Å; C380-I384 PolarHBondContact O-N 2.77Å
381P96.3Very high93Very high56 Ų5654.8 Ų54.836%0.36429%0.291SS..Hα-helixtrans-60.9-41.7175.1-25.836.4000113.5Y355 L383 I384 E385Y355-P381 HydrophobicContact CE1-CG 3.82Å; Y355-P381 HydrophobicContact CE2-CG 4.18Å; Y355-P381 WeakPolarHBondContact OH-CG 3.45Å; P381-L383 VanDerWaalsContact C-N 3.34Å; P381-I384 WeakPolarHBondContact O-CB 3.5Å; P381-I384 PolarHBondContact O-N 3.43Å; P381-E385 PolarHBondContact O-N 2.85Å
382S96.8Very high93Very high47 Ų4759.3 Ų59.333%0.32932%0.315SS..Hα-helixtrans-66.7-37.6177.9-540000111.6L379 C380 E385 R386L379-S382 WeakPolarHBondContact O-CB 3.18Å; L379-S382 PolarHBondContact O-N 3.13Å; C380-S382 PolarHBondContact O-N 3.01Å; S382-E385 PolarHBondContact O-N 3.28Å; S382-R386 WeakPolarHBondContact O-CB 3.48Å; S382-R386 WeakPolarHBondContact O-CG 3.13Å; S382-R386 PolarHBondContact O-N 2.89Å
383L97Very high93.3Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-62-44.2174.2177.657.2000111.5W316 Q320 L323 L376 M378 L379 C380 P381 L387W316-L383 HydrophobicContact CE3-CD2 3.9Å; W316-L383 HydrophobicContact CZ3-CD2 4.23Å; Q320-L383 HydrophobicContact CB-CD1 4.36Å; Q320-L383 HydrophobicContact CB-CD2 4.34Å; L323-L383 HydrophobicContact CB-CD1 4.29Å; L323-L383 HydrophobicContact CD2-CD1 3.71Å; L376-L383 HydrophobicContact CD1-CD2 4.24Å; M378-L383 HydrophobicContact CG-CB 3.97Å; M378-L383 HydrophobicContact SD-CB 4.12Å; M378-L383 HydrophobicContact SD-CD1 4.23Å; L379-L383 PolarHBondContact O-N 3.47Å; C380-L383 PolarHBondContact O-N 2.69Å; P381-L383 VanDerWaalsContact C-N 3.34Å; L383-L387 VanDerWaalsContact O-CB 3.25Å; L383-L387 WeakPolarHBondContact O-CB 3.21Å; L383-L387 PolarHBondContact O-N 3.25Å
384I97.3Very high93.8Very high24 Ų2452.5 Ų52.512%0.12329%0.287CS..Hα-helixtrans-57.3-50.1175.1-72161.4000110.9W316 L351 P352 Y355 C380 P381 S388W316-I384 HydrophobicContact CH2-CD1 3.79Å; W316-I384 HydrophobicContact CH2-CG1 3.93Å; W316-I384 HydrophobicContact CZ3-CD1 4.4Å; W316-I384 HydrophobicContact CZ3-CG1 4.12Å; L351-I384 HydrophobicContact CB-CD1 4.46Å; L351-I384 HydrophobicContact CB-CG1 3.84Å; P352-I384 HydrophobicContact CB-CG2 4.46Å; P352-I384 HydrophobicContact CG-CG2 3.75Å; Y355-I384 HydrophobicContact CG-CD1 4.25Å; C380-I384 WeakPolarHBondContact O-CG1 3.4Å; C380-I384 PolarHBondContact O-N 2.77Å; P381-I384 WeakPolarHBondContact O-CB 3.5Å; P381-I384 PolarHBondContact O-N 3.43Å; I384-S388 WeakPolarHBondContact O-CB 3.44Å; I384-S388 PolarHBondContact O-N 3.05Å; I384-S388 PolarHBondContact O-OG 2.87Å
385E97.4Very high93.8Very high115 Ų11549.6 Ų49.654%0.53727%0.267SS..Hα-helixtrans-60.6-52.4-178.3-176.5178-163.700110.9P381 S382 L387 S388 E389P381-E385 PolarHBondContact O-N 2.85Å; S382-E385 PolarHBondContact O-N 3.28Å; E385-L387 PolarHBondContact O-N 2.85Å; E385-S388 WeakPolarHBondContact O-CB 3.49Å; E385-S388 PolarHBondContact O-N 3.38Å; E385-S388 VanDerWaalsContact O-N 3.15Å; E385-E389 WeakPolarHBondContact O-CG 3.32Å; E385-E389 PolarHBondContact O-N 2.9Å
386R97.2Very high93.5Very high111 Ų11150.3 Ų50.342%0.41928%0.276SS..Hα-helixtrans-63.8-39.8-178.4-66.8-67.9-69.9165.7-7.4112.9L323 M378 S382 S388 E389 V390L323-R386 HydrophobicContact CD1-CB 4.17Å; L323-R386 HydrophobicContact CD2-CB 3.64Å; M378-R386 HydrophobicContact SD-CG 4.36Å; S382-R386 WeakPolarHBondContact O-CB 3.48Å; S382-R386 WeakPolarHBondContact O-CG 3.13Å; S382-R386 PolarHBondContact O-N 2.89Å; R386-S388 VanDerWaalsContact C-N 3.33Å; R386-E389 WeakPolarHBondContact CD-OE2 3.35Å; R386-E389 IonicContact CZ-OE2 2.72Å; R386-E389 IonicContact NE-OE2 3.44Å; R386-E389 IonicContact NH1-OE2 3.98Å; R386-E389 PolarHBondContact NH1-OE2 3.23Å; R386-E389 PolarHBondContact O-N 3Å; R386-V390 WeakPolarHBondContact O-CG2 3.4Å; R386-V390 PolarHBondContact O-N 2.88Å
387L96.8Very high92.8Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-63-42.9175.3-171.666.9000110.9L323 A344 L347 A348 L351 L383 E385 V390 V391L323-L387 HydrophobicContact CB-CD1 4.44Å; A344-L387 HydrophobicContact CB-CD1 3.92Å; L347-L387 HydrophobicContact CB-CD2 3.9Å; A348-L387 HydrophobicContact CB-CD2 4.37Å; A348-L387 HydrophobicContact CB-CG 4.43Å; L351-L387 HydrophobicContact CD1-CD2 3.9Å; L383-L387 VanDerWaalsContact O-CB 3.25Å; L383-L387 WeakPolarHBondContact O-CB 3.21Å; L383-L387 PolarHBondContact O-N 3.25Å; E385-L387 PolarHBondContact O-N 2.85Å; L387-V390 PolarHBondContact O-N 2.69Å; L387-V391 VanDerWaalsContact O-CG2 3.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.41Å; L387-V391 PolarHBondContact O-N 3.03Å
388S96.5Very high91.6Very high35 Ų3554.6 Ų54.625%0.24530%0.296CS..Hα-helixtrans-64.1-41.3177.6-56.80000112.2I384 E385 R386 V391 N392I384-S388 WeakPolarHBondContact O-CB 3.44Å; I384-S388 PolarHBondContact O-N 3.05Å; I384-S388 PolarHBondContact O-OG 2.87Å; E385-S388 WeakPolarHBondContact O-CB 3.49Å; E385-S388 PolarHBondContact O-N 3.38Å; E385-S388 VanDerWaalsContact O-N 3.15Å; R386-S388 VanDerWaalsContact C-N 3.33Å; S388-V391 PolarHBondContact O-N 2.95Å; S388-N392 WeakPolarHBondContact O-CB 3.15Å; S388-N392 VanDerWaalsContact O-CG 3.24Å; S388-N392 PolarHBondContact O-N 2.89Å; S388-N392 PolarHBondContact O-ND2 3.46Å; S388-N392 VanDerWaalsContact O-ND2 3.12Å
389E95.7Very high89.8Confident77 Ų7757 Ų5736%0.3631%0.314SS..Hα-helixtrans-59.3-45.6174.2-72.7178.3168.800112.5E385 R386 N392 S393E385-E389 WeakPolarHBondContact O-CG 3.32Å; E385-E389 PolarHBondContact O-N 2.9Å; R386-E389 WeakPolarHBondContact CD-OE2 3.35Å; R386-E389 IonicContact CZ-OE2 2.72Å; R386-E389 IonicContact NE-OE2 3.44Å; R386-E389 IonicContact NH1-OE2 3.98Å; R386-E389 PolarHBondContact NH1-OE2 3.23Å; R386-E389 PolarHBondContact O-N 3Å; E389-N392 PolarHBondContact O-N 2.98Å; E389-S393 WeakPolarHBondContact O-CB 3.44Å; E389-S393 PolarHBondContact O-N 3.47Å; E389-S393 PolarHBondContact O-OG 2.65Å
390V94.6Very high87.8Confident10 Ų1060.7 Ų60.76%0.06133%0.326CS..Hα-helixtrans-65.6-44.3179.9166.60000110.9L323 L326 L330 R386 L387 S393 I394L323-V390 HydrophobicContact CD1-CB 4.26Å; L323-V390 HydrophobicContact CD1-CG2 3.68Å; L326-V390 HydrophobicContact CB-CG1 3.69Å; L326-V390 HydrophobicContact CD1-CG1 4.02Å; L326-V390 HydrophobicContact CG-CG1 4.49Å; L330-V390 HydrophobicContact CD1-CG1 3.93Å; R386-V390 WeakPolarHBondContact O-CG2 3.4Å; R386-V390 PolarHBondContact O-N 2.88Å; L387-V390 PolarHBondContact O-N 2.69Å; V390-S393 WeakPolarHBondContact O-CB 3.34Å; V390-S393 PolarHBondContact O-N 3.28Å; V390-I394 HydrophobicContact CG1-CD1 3.92Å; V390-I394 WeakPolarHBondContact O-CG1 3.45Å; V390-I394 PolarHBondContact O-N 2.76Å
391V94.3Very high85.5Confident15 Ų1564.8 Ų64.89%0.09135%0.347CS..Hα-helixtrans-57.6-50.9175169.30000110.8A344 E345 A348 L387 S388 S393 I394 S395A344-V391 HydrophobicContact CB-CG2 3.62Å; E345-V391 HydrophobicContact CG-CG1 3.73Å; A348-V391 HydrophobicContact CB-CG2 4.36Å; L387-V391 VanDerWaalsContact O-CG2 3.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.41Å; L387-V391 PolarHBondContact O-N 3.03Å; S388-V391 PolarHBondContact O-N 2.95Å; V391-S393 VanDerWaalsContact C-N 3.27Å; V391-S393 PolarHBondContact O-N 2.94Å; V391-I394 PolarHBondContact O-N 2.96Å; V391-I394 VanDerWaalsContact O-N 3.15Å; V391-S395 PolarHBondContact O-N 2.77Å; V391-S395 PolarHBondContact O-OG 3.06Å
392N93.4Very high82.9Confident108 Ų10867 Ų6758%0.57836%0.364SS*.Hα-helixtrans-59.9-38.3178.3-72-30.9000112.4S388 E389 S395 S396S388-N392 WeakPolarHBondContact O-CB 3.15Å; S388-N392 VanDerWaalsContact O-CG 3.24Å; S388-N392 PolarHBondContact O-N 2.89Å; S388-N392 PolarHBondContact O-ND2 3.46Å; S388-N392 VanDerWaalsContact O-ND2 3.12Å; E389-N392 PolarHBondContact O-N 2.98Å; N392-S395 PolarHBondContact O-N 3.4Å; N392-S396 WeakPolarHBondContact O-CB 3.18Å; N392-S396 PolarHBondContact O-N 3.37Å
393S91.8Very high79.9Confident55 Ų5568 Ų6839%0.38538%0.382SS..Hα-helixtrans-63.3-42.3177.2-62.40000111.9E389 V390 V391 S396 R397E389-S393 WeakPolarHBondContact O-CB 3.44Å; E389-S393 PolarHBondContact O-N 3.47Å; E389-S393 PolarHBondContact O-OG 2.65Å; V390-S393 WeakPolarHBondContact O-CB 3.34Å; V390-S393 PolarHBondContact O-N 3.28Å; V391-S393 VanDerWaalsContact C-N 3.27Å; V391-S393 PolarHBondContact O-N 2.94Å; S393-S396 PolarHBondContact O-N 2.82Å; S393-S396 PolarHBondContact O-OG 3.08Å; S393-R397 PolarHBondContact O-N 2.79Å
394I89.7Confident76.9Confident23 Ų2377.5 Ų77.512%0.11842%0.424CS..Hα-helixtrans-65.1-48177.4-66.4162.6000110.7L326 L330 P336 V341 V390 V391 S396 R397 S398L326-I394 HydrophobicContact CD1-CD1 4.37Å; L326-I394 HydrophobicContact CD2-CD1 4.17Å; L330-I394 HydrophobicContact CD1-CD1 4.48Å; L330-I394 HydrophobicContact CD1-CG1 4.13Å; L330-I394 HydrophobicContact CD2-CG1 4.05Å; L330-I394 HydrophobicContact CG-CG1 4.49Å; P336-I394 HydrophobicContact CG-CD1 4.41Å; V341-I394 HydrophobicContact CG1-CG2 4.02Å; V341-I394 HydrophobicContact CG2-CD1 4.41Å; V341-I394 HydrophobicContact CG2-CG2 4.29Å; V390-I394 HydrophobicContact CG1-CD1 3.92Å; V390-I394 WeakPolarHBondContact O-CG1 3.45Å; V390-I394 PolarHBondContact O-N 2.76Å; V391-I394 PolarHBondContact O-N 2.96Å; V391-I394 VanDerWaalsContact O-N 3.15Å; I394-S396 VanDerWaalsContact C-N 3.26Å; I394-S396 PolarHBondContact O-N 3.37Å; I394-R397 PolarHBondContact O-N 3.14Å; I394-R397 VanDerWaalsContact O-N 3.11Å; I394-S398 PolarHBondContact O-N 2.98Å
395S84.5Confident73.9Confident51 Ų5182 Ų8236%0.35745%0.447SS..Hα-helixtrans-60.4-35.8178.7-49.30000112.4V391 N392 R397 T399V391-S395 PolarHBondContact O-N 2.77Å; V391-S395 PolarHBondContact O-OG 3.06Å; N392-S395 PolarHBondContact O-N 3.4Å; S395-R397 PolarHBondContact O-N 3.45Å; S395-T399 PolarHBondContact O-N 2.79Å; S395-T399 PolarHBondContact O-OG1 2.91Å; S395-T399 VanDerWaalsContact O-OG1 3.1Å
396S81.8Confident70.8Confident51 Ų5181.2 Ų81.236%0.35746%0.46SS..Hα-helixtrans-71-25.3177.479.30000114.4N392 S393 I394 T399 K400N392-S396 WeakPolarHBondContact O-CB 3.18Å; N392-S396 PolarHBondContact O-N 3.37Å; S393-S396 PolarHBondContact O-N 2.82Å; S393-S396 PolarHBondContact O-OG 3.08Å; I394-S396 VanDerWaalsContact C-N 3.26Å; I394-S396 PolarHBondContact O-N 3.37Å; S396-T399 PolarHBondContact O-OG1 3.46Å; S396-T399 VanDerWaalsContact O-OG1 3.1Å; S396-K400 WeakPolarHBondContact O-CG 3.22Å
397R75.1Confident67.6Low127 Ų12783 Ų8348%0.47948%0.478SS..Hα-helixtrans-78.9-38.1175.3-74.4-176.9179-169.22.1111.6S393 I394 S395 T399 K400 N401S393-R397 PolarHBondContact O-N 2.79Å; I394-R397 PolarHBondContact O-N 3.14Å; I394-R397 VanDerWaalsContact O-N 3.11Å; S395-R397 PolarHBondContact O-N 3.45Å; R397-T399 VanDerWaalsContact C-N 3.32Å; R397-T399 PolarHBondContact O-N 2.8Å; R397-K400 PolarHBondContact O-N 2.9Å; R397-N401 PolarHBondContact O-N 2.86Å
398S64.6Low64.6Low86 Ų8693.2 Ų93.260%0.60152%0.518SS*.Hα-helixtrans-60.2-42.1177.7-172.70000112I394 K400 N401 S402I394-S398 PolarHBondContact O-N 2.98Å; S398-K400 VanDerWaalsContact C-N 3.3Å; S398-K400 PolarHBondContact O-N 3.09Å; S398-N401 PolarHBondContact O-N 3.08Å; S398-S402 PolarHBondContact O-N 3.43Å
399T54.5Low61.5Low102 Ų10297.3 Ų97.363%0.62655%0.547SS*.Hα-helixtrans-68.9-22.2177.539.40000114.4S395 S396 R397 S402S395-T399 PolarHBondContact O-N 2.79Å; S395-T399 PolarHBondContact O-OG1 2.91Å; S395-T399 VanDerWaalsContact O-OG1 3.1Å; S396-T399 PolarHBondContact O-OG1 3.46Å; S396-T399 VanDerWaalsContact O-OG1 3.1Å; R397-T399 VanDerWaalsContact C-N 3.32Å; R397-T399 PolarHBondContact O-N 2.8Å; T399-S402 PolarHBondContact O-OG 3.15Å
400K53Low58.3Low169 Ų169103.8 Ų103.874%0.73557%0.574SS**Hα-helixtrans-85.3-27.3175.3-71177.1-178.1174.90113.1S396 R397 S398S396-K400 WeakPolarHBondContact O-CG 3.22Å; R397-K400 PolarHBondContact O-N 2.9Å; S398-K400 VanDerWaalsContact C-N 3.3Å; S398-K400 PolarHBondContact O-N 3.09Å
401N48Very low55.5Low99 Ų99108.7 Ų108.753%0.52961%0.608SS.*Hα-helixtrans-93.2-11.3-177.6-75.4-4.5000114.3R397 S398 G403 F404 L405R397-N401 PolarHBondContact O-N 2.86Å; S398-N401 PolarHBondContact O-N 3.08Å; N401-G403 PolarHBondContact O-N 3.43Å; N401-F404 PolarHBondContact O-N 2.7Å; N401-F404 VanDerWaalsContact O-N 3.13Å; N401-L405 HydrophobicContact CB-CD1 4.42Å
402S41.8Very low52.4Low101 Ų101116.6 Ų116.671%0.70664%0.644SS**THydrogen-bonded Turntrans-66.3-3.2177.969.30000114.4S398 T399S398-S402 PolarHBondContact O-N 3.43Å; T399-S402 PolarHBondContact O-OG 3.15Å
403G34Very low49.5Very low69 Ų69118.3 Ų118.371%0.71165%0.652SS**THydrogen-bonded Turntrans-89.7-5.4171.600000115.9N401N401-G403 PolarHBondContact O-N 3.43Å
404F34Very low46.7Very low200 Ų200125.6 Ų125.688%0.87768%0.677SS**THydrogen-bonded Turntrans-135.7-0.4-171.1-123.3-95.5000116.1N401N401-F404 PolarHBondContact O-N 2.7Å; N401-F404 VanDerWaalsContact O-N 3.13Å
405L33.4Very low43.7Very low118 Ų118129.3 Ų129.362%0.61871%0.705SS**  trans-113.521-172.7-93.6157.5000115.5N401 N407N401-L405 HydrophobicContact CB-CD1 4.42Å; L405-N407 PolarHBondContact O-N 3.11Å; L405-N407 VanDerWaalsContact O-N 3.07Å
406A32.8Very low41.3Very low99 Ų99134.9 Ų134.982%0.81872%0.723SS**THydrogen-bonded Turntrans-72.58.7-18000000115.8
407N30.3Very low38.9Very low148 Ų148141 Ų14179%0.79175%0.745SS**THydrogen-bonded Turntrans-130.213.4-167.6-85.8-16.7000117.2L405L405-N407 PolarHBondContact O-N 3.11Å; L405-N407 VanDerWaalsContact O-N 3.07Å
408Y32.1Very low37Very low215 Ų215140.3 Ų140.384%0.84376%0.76SS**  trans-124.171.7178.2-86.1-85.5000113.2
409S31.6Very low35.2Very low121 Ų121143.4 Ų143.485%0.84677%0.77SS**  trans-164.174.5158.342.80000110
410K29.4Very low34.1Very low213 Ų213150 Ų15093%0.92679%0.785SS**  trans-148.296.7165.8-111.8-175.6-178.6178.90109.4
411S35.6Very low33Very low112 Ų112153.4 Ų153.478%0.78379%0.793SS**  trans-165.178.4162470000105.6
412E29.2Very low32.2Very low181 Ų181153.7 Ų153.785%0.84680%0.803SS**  52.3113.2102.8-76.4-168.416600113.7
413I31.6Very low31.8Very low144 Ų144157.1 Ų157.174%0.73881%0.814SS**  164.795.1123.1-77.4152.7000108.3
414F33Very low31.5Very low209 Ų209157.5 Ų157.592%0.91782%0.818SS**  175.9122.5120.4-99.7-72.3000110.5
415S28.1Very low31.3Very low101 Ų101159.3 Ų159.371%0.70682%0.819SS**  trans-92.4137.2-175.5178.80000110.5
416K32.4Very low31.1Very low167 Ų167158.7 Ų158.773%0.72683%0.83SS**  162.1127.4112.7-88.6-176-177.5177.90113.6
417H33.3Very low31Very low179 Ų179162 Ų16283%0.82983%0.832SS**  trans67.2130.5158-54.9-58.4000116.9
418S33.8Very low31Very low113 Ų113163.5 Ų163.579%0.7984%0.835SS**  cis-155.3160.825.468.20000111.8
419N27.7Very low30.9Very low151 Ų151158.8 Ų158.881%0.80783%0.833SS**  trans-64.1134.5-176.4-61.8-51.9000113.7
420Y31.3Very low30.8Very low240 Ų240159.2 Ų159.294%0.94184%0.835SS**  trans-149.2132.4137.1-106.2-80.5000110.8
421R30.5Very low31Very low241 Ų241152.6 Ų152.691%0.90982%0.815SS**  trans-72.1152.2-171.1-83.7174.4168174.9-4.6113.1
422S30.6Very low31.3Very low106 Ų106153.6 Ų153.674%0.74181%0.812SS**  trans-46.6139.3171.955.40000116.2
423N32.4Very low31.6Very low172 Ų172148.4 Ų148.492%0.9280%0.795SS**  trans-142.7117.9137.7-101-15.2000108.9
424G27.5Very low31.8Very low77 Ų77149.7 Ų149.779%0.79480%0.796SS**  trans-77.9133.7179.600000112.1
425R30.7Very low32.2Very low239 Ų239143.7 Ų143.790%0.90278%0.78SS**  trans-139.3135.1150.7-83.8-171.1-179.7179.5-0.2108.3I427R425-I427 PolarHBondContact O-N 2.96Å
426A28.5Very low32.7Very low104 Ų104141.6 Ų141.686%0.8676%0.76SS**  trans-58.5129.5-178.900000110.9
427I30.6Very low32.9Very low168 Ų168141 Ų14186%0.86276%0.76SS**  trans-93.6111.1166.2-65.2174.9000106.1R425 S429R425-I427 PolarHBondContact O-N 2.96Å; I427-S429 PolarHBondContact O-N 3.24Å
428E30.6Very low33.1Very low180 Ų180135.8 Ų135.884%0.84174%0.743SS**  trans-58.3130.5169-75.9179.914900109.8C430E428-C430 PolarHBondContact O-N 3.26Å
429S30.3Very low33.2Very low116 Ų116132.6 Ų132.681%0.81172%0.717SS**  trans-7099.3172.748.20000108.9I427 S431I427-S429 PolarHBondContact O-N 3.24Å; S429-S431 PolarHBondContact O-N 2.68Å
430C29.6Very low33.6Very low130 Ų130130.2 Ų130.288%0.87870%0.704SS**  trans-71.5103.7170.2-150.40000107.9E428 N432E428-C430 PolarHBondContact O-N 3.26Å; C430-N432 PolarHBondContact O-N 2.86Å
431S34.7Very low34Very low74 Ų74124.7 Ų124.752%0.51768%0.682SS.*  trans-68.5128.4-174.645.70000111.3S429 S433S429-S431 PolarHBondContact O-N 2.68Å; S431-S433 PolarHBondContact O-N 3.09Å
432N40.6Very low34.4Very low133 Ų133118.9 Ų118.971%0.71167%0.665SS**THydrogen-bonded Turntrans-57.66.4177-89.1-26.8000115.4C430 I436C430-N432 PolarHBondContact O-N 2.86Å; N432-I436 WeakPolarHBondContact O-CD1 3.41Å; N432-I436 WeakPolarHBondContact O-CG1 3.24Å
433S35.9Very low34.7Very low72 Ų72116.3 Ų116.350%0.50364%0.642SS.*THydrogen-bonded Turntrans-85-37.2-17552.40000113.6S431 I436S431-S433 PolarHBondContact O-N 3.09Å; S433-I436 PolarHBondContact O-N 3.11Å
434K35.7Very low34.7Very low172 Ų172111.4 Ų111.475%0.74863%0.632SS**Hα-helixtrans-76.2-25-177.9-71.2-174.7175.6-1770113.7I436K434-I436 PolarHBondContact O-N 3.17Å
435S42.1Very low35.1Very low83 Ų83117.3 Ų117.358%0.5864%0.636SS**Hα-helixtrans-72.8-13.6175-44.60000113L439S435-L439 WeakPolarHBondContact O-CG 3.42Å
436I38.2Very low35.2Very low56 Ų56115.4 Ų115.429%0.28764%0.637SS.*Hα-helixtrans-93.9-33.5-174.3-68.7175.9000112.6K349 N432 S433 K434 C438 L439K349-I436 HydrophobicContact CD-CD1 4.08Å; N432-I436 WeakPolarHBondContact O-CD1 3.41Å; N432-I436 WeakPolarHBondContact O-CG1 3.24Å; S433-I436 PolarHBondContact O-N 3.11Å; K434-I436 PolarHBondContact O-N 3.17Å; I436-C438 VanDerWaalsContact C-N 3.33Å; I436-C438 PolarHBondContact O-N 3.27Å; I436-L439 HydrophobicContact CB-CD1 4.14Å; I436-L439 HydrophobicContact CG1-CD1 3.98Å; I436-L439 HydrophobicContact CG2-CD1 4.24Å; I436-L439 WeakPolarHBondContact O-CB 3.35Å; I436-L439 WeakPolarHBondContact O-CG 3.5Å; I436-L439 PolarHBondContact O-N 3.01Å; I436-L439 VanDerWaalsContact O-N 3.09Å
437E36Very low35.4Very low154 Ų154113.4 Ų113.472%0.7262%0.615SS**Hα-helixtrans-68.9-32.7177.8-77.6177.115600112.5L439 N440E437-L439 PolarHBondContact O-N 3.41Å; E437-N440 PolarHBondContact O-N 3.06Å
438C38.2Very low35.4Very low71 Ų71113.9 Ų113.948%0.4862%0.619SS.*THydrogen-bonded Turntrans-67.5-18.4172.7-158.60000112.7I436 N440I436-C438 VanDerWaalsContact C-N 3.33Å; I436-C438 PolarHBondContact O-N 3.27Å; C438-N440 VanDerWaalsContact C-N 3.3Å; C438-N440 PolarHBondContact O-N 2.97Å
439L35.1Very low35.6Very low46 Ų46109.9 Ų109.924%0.24160%0.596CS.*THydrogen-bonded Turntrans-68.3-27.1178.2-61173.9000113.3R295 S435 I436 E437 L443R295-L439 VanDerWaalsContact CZ-CD2 3.42Å; R295-L439 VanDerWaalsContact NH2-CD2 3.33Å; S435-L439 WeakPolarHBondContact O-CG 3.42Å; I436-L439 HydrophobicContact CB-CD1 4.14Å; I436-L439 HydrophobicContact CG1-CD1 3.98Å; I436-L439 HydrophobicContact CG2-CD1 4.24Å; I436-L439 WeakPolarHBondContact O-CB 3.35Å; I436-L439 WeakPolarHBondContact O-CG 3.5Å; I436-L439 PolarHBondContact O-N 3.01Å; I436-L439 VanDerWaalsContact O-N 3.09Å; E437-L439 PolarHBondContact O-N 3.41Å; L439-L443 WeakPolarHBondContact O-CD1 3.38Å
440N36.2Very low35.6Very low100 Ų100111.4 Ų111.454%0.53559%0.591SS.*THydrogen-bonded Turntrans-83.6-24-168.3-68.7-28.4000113.5E437 C438E437-N440 PolarHBondContact O-N 3.06Å; C438-N440 VanDerWaalsContact C-N 3.3Å; C438-N440 PolarHBondContact O-N 2.97Å
441R39.8Very low36Very low125 Ų125108.6 Ų108.647%0.47257%0.566SS.*THydrogen-bonded Turntrans-86.8-29.2-170.6-159.4172.465.5-133.80.6114.6D494R441-D494 WeakPolarHBondContact CD-OD2 3.41Å; R441-D494 IonicContact CZ-OD2 3.93Å; R441-D494 IonicContact NE-OD2 3.39Å; R441-D494 PolarHBondContact NE-OD2 3.3Å; R441-D494 IonicContact NH1-OD2 3.18Å; R441-D494 PolarHBondContact NH1-OD2 2.93Å
442E40.3Very low35.9Very low119 Ų119112.4 Ų112.456%0.55657%0.574SS**G310 helixtrans-85.4-11.8-173.6-68.2-171.6155.700115K299 G444K299-E442 IonicContact NZ-OE2 3.1Å; K299-E442 PolarHBondContact NZ-OE2 2.87Å; E442-G444 VanDerWaalsContact C-N 3.26Å; E442-G444 PolarHBondContact O-N 3.07Å
443L35.8Very low35.6Very low51 Ų51113 Ų11327%0.26758%0.577SS.*G310 helixtrans-81.64.1-169.2-87.2166.1000114L353 K357 L439L353-L443 HydrophobicContact CD1-CD1 3.98Å; K357-L443 VanDerWaalsContact CE-CB 3.48Å; K357-L443 WeakPolarHBondContact CE-O 3.46Å; K357-L443 PolarHBondContact NZ-O 3.12Å; L439-L443 WeakPolarHBondContact O-CD1 3.38Å
444G32.7Very low35.5Very low69 Ų69118.4 Ų118.471%0.71159%0.586SS**G310 helixtrans-103.913.8-165.500000118.8E442E442-G444 VanDerWaalsContact C-N 3.26Å; E442-G444 PolarHBondContact O-N 3.07Å
445K36Very low35.7Very low202 Ų202114.2 Ų114.288%0.87857%0.569SS**  trans-104.2118.1179-67.3-173.9-179.8179.60112.1
446E32.1Very low35.4Very low198 Ų198114 Ų11493%0.92556%0.56SS**  trans-57.9134.1-178-64.8175.2159.700112.6
447T33.6Very low35Very low63 Ų63111.3 Ų111.339%0.38755%0.547SS..  trans-116.3125.7164.648.30000107.9W449T447-W449 PolarHBondContact O-NE1 3.4Å; T447-W449 WeakPolarHBondContact OG1-CZ2 3.46Å; T447-W449 PolarHBondContact OG1-NE1 3.13Å
448N30.4Very low34.7Very low178 Ų178104.3 Ų104.395%0.95252%0.516SS*.  trans-71.5127.3178.5-131.2-11.8000109.8
449W35Very low34.6Very low95 Ų95102 Ų10236%0.3650%0.499SS..  trans-110.1136.2-174.9-58.495.6000111.2I304 T447I304-W449 HydrophobicContact CD1-CE3 3.55Å; I304-W449 HydrophobicContact CD1-CZ3 3.58Å; I304-W449 HydrophobicContact CG1-CE3 4.13Å; I304-W449 HydrophobicContact CG1-CZ3 3.63Å; T447-W449 PolarHBondContact O-NE1 3.4Å; T447-W449 WeakPolarHBondContact OG1-CZ2 3.46Å; T447-W449 PolarHBondContact OG1-NE1 3.13Å
450E30.1Very low35Very low149 Ų149100.3 Ų100.370%0.69649%0.492SS*.  trans-112.2113.2158.3-82.3-159-175.900108.9K452E450-K452 VanDerWaalsContact C-N 3.32Å; E450-K452 PolarHBondContact O-N 2.9Å; E450-K452 VanDerWaalsContact O-N 3.15Å; E450-K452 IonicContact OE1-NZ 2.76Å; E450-K452 IonicContact OE2-NZ 3.91Å; E450-K452 PolarHBondContact OE2-NZ 3.38Å
451L37.8Very low35.3Very low70 Ų7097.9 Ų97.937%0.36648%0.476SS..  trans-87.258.7-175.8-151.799.5000111.2
452K33.1Very low35.6Very low154 Ų15492.2 Ų92.267%0.6746%0.455SS*.  trans-100.1-24.2-177.1-77.6179.2-173.4144.70115.5E450 R454E450-K452 VanDerWaalsContact C-N 3.32Å; E450-K452 PolarHBondContact O-N 2.9Å; E450-K452 VanDerWaalsContact O-N 3.15Å; E450-K452 IonicContact OE1-NZ 2.76Å; E450-K452 IonicContact OE2-NZ 3.91Å; E450-K452 PolarHBondContact OE2-NZ 3.38Å; K452-R454 PolarHBondContact O-N 3.38Å
453D33.8Very low35.4Very low147 Ų14787.5 Ų87.579%0.78644%0.435SS*.  trans-98.792.3179.6-73.9-22.3000111.1
454R34.7Very low35.8Very low185 Ų18589.8 Ų89.870%0.69845%0.447SS*.  trans-79.6122.9167.9-73.6-170.1179-170.10.4109.7K452K452-R454 PolarHBondContact O-N 3.38Å
455H38.4Very low36.4Very low84 Ų8489.2 Ų89.239%0.38942%0.423SS..SBendtrans76.5102.3159.6-45.2-59.3000117.8E159E159-H455 PolarHBondContact O-CE1 3.4Å
456I37.1Very low36.1Very low77 Ų7785.4 Ų85.440%0.39541%0.409SS..  174.3125.6127.4-79.9146.3000105.2E116 G458E116-I456 HydrophobicContact CB-CG1 4.48Å; E116-I456 HydrophobicContact CB-CG2 4.4Å; I456-G458 PolarHBondContact O-N 3.34Å
457G30Very low36Very low0 Ų081.7 Ų81.70%040%0.4CS..PPolyproline II helixtrans-72.3124.1170.300000109.3Y167 K305Y167-G457 PolarHBondContact OH-O 3.4Å; K305-G457 CarbonylContact O-C 3.53Å; K305-G457 WeakPolarHBondContact O-CA 3.38Å
458G29.8Very low35.6Very low7 Ų786 Ų867%0.07241%0.41CS..PPolyproline II helixtrans-93.8136.7178.700000112.1K305 I456K305-G458 PolarHBondContact O-N 3.06Å; I456-G458 PolarHBondContact O-N 3.34Å
459L35.5Very low35.4Very low23 Ų2386.1 Ų86.112%0.1240%0.402CS..SBendtrans-79.1132167.4-73.7165.5000109.8L113 S114 D182 F183L113-L459 HydrophobicContact CB-CB 4.33Å; L113-L459 WeakPolarHBondContact O-CD1 3.43Å; S114-L459 PolarHBondContact OG-N 3.5Å; D182-L459 WeakPolarHBondContact OD1-CD2 3.4Å; F183-L459 HydrophobicContact CD1-CD2 4.32Å; F183-L459 HydrophobicContact CE1-CD2 3.98Å; F183-L459 HydrophobicContact CE1-CG 4.35Å
460G43.4Very low35Very low10 Ų1087.6 Ų87.610%0.10341%0.412CS..  trans9533.7161.300000117.9R465G460-R465 PolarHBondContact O-NH2 2.9Å; G460-R465 VanDerWaalsContact O-NH2 3.15Å
461W42.9Very low34.9Very low49 Ų4987.7 Ų87.719%0.18642%0.417CS..  trans-70.1131.6164.7-166.568.9000111.4C300 T302 P303 F306 P463C300-W461 HydrophobicContact CB-CZ3 4.36Å; T302-W461 HydrophobicContact CG2-CD2 4Å; T302-W461 HydrophobicContact CG2-CE3 3.56Å; T302-W461 HydrophobicContact CG2-CG 4.46Å; T302-W461 HydrophobicContact CG2-CZ3 4.01Å; T302-W461 WeakPolarHBondContact OG1-CZ3 3.3Å; P303-W461 HydrophobicContact CG-CZ2 4.17Å; F306-W461 HydrophobicContact CB-CB 3.59Å; F306-W461 HydrophobicContact CB-CG 4.16Å; F306-W461 HydrophobicContact CD1-CB 3.76Å; F306-W461 HydrophobicContact CD1-CG 4.49Å; F306-W461 HydrophobicContact CD2-CB 3.57Å; F306-W461 AromaticContact CD2-CD1 3.21Å; F306-W461 HydrophobicContact CD2-CD2 4.37Å; F306-W461 AromaticContact CD2-CG 3.43Å; F306-W461 HydrophobicContact CD2-CG 3.43Å; F306-W461 VanDerWaalsContact CD2-CG 3.43Å; F306-W461 AromaticContact CD2-NE1 3.96Å; F306-W461 HydrophobicContact CE1-CB 4.21Å; F306-W461 HydrophobicContact CE2-CB 4.05Å; F306-W461 AromaticContact CE2-CD1 3.07Å; F306-W461 AromaticContact CE2-CG 3.76Å; F306-W461 HydrophobicContact CE2-CG 3.76Å; F306-W461 AromaticContact CE2-NE1 3.83Å; F306-W461 HydrophobicContact CG-CB 3.4Å; F306-W461 AromaticContact CG-CD1 3.99Å; F306-W461 AromaticContact CG-CG 3.83Å; F306-W461 HydrophobicContact CG-CG 3.83Å; F306-W461 HydrophobicContact CZ-CB 4.32Å; F306-W461 AromaticContact CZ-CD1 3.76Å; F306-W461 HydrophobicContact CZ-CG 4.4Å; W461-P463 HydrophobicContact CE3-CG 4.16Å; W461-P463 HydrophobicContact CH2-CB 3.69Å; W461-P463 HydrophobicContact CH2-CG 3.67Å; W461-P463 HydrophobicContact CZ2-CB 4.18Å; W461-P463 HydrophobicContact CZ2-CG 4.49Å; W461-P463 HydrophobicContact CZ3-CB 4.03Å; W461-P463 HydrophobicContact CZ3-CG 3.47Å; W461-P463 VanDerWaalsContact CZ3-CG 3.47Å
462I45.1Very low34.3Very low7 Ų792.5 Ų92.54%0.03644%0.442CS..  trans-126.2131.1167.1-53.8173.3000104.4D178 W215 H221 N464 R465D178-I462 HydrophobicContact CB-CD1 3.89Å; W215-I462 HydrophobicContact CH2-CD1 4.29Å; W215-I462 HydrophobicContact CZ3-CG2 4.37Å; H221-I462 WeakPolarHBondContact CE1-CG2 3.18Å; H221-I462 WeakPolarHBondContact ND1-CG2 3.36Å; I462-N464 PolarHBondContact O-N 3.01Å; I462-R465 PolarHBondContact O-N 3.41Å
463P37.2Very low34Very low20 Ų2096.2 Ų96.213%0.1345%0.452CS..THydrogen-bonded Turntrans-50.8144.7176-18.626.1000110.3C216 H221 W461C216-P463 HydrophobicContact CB-CG 3.87Å; C216-P463 WeakPolarHBondContact O-CB 3.35Å; C216-P463 VanDerWaalsContact O-CG 3.31Å; C216-P463 WeakPolarHBondContact O-CG 3.47Å; H221-P463 PolarHBondContact NE2-O 3.17Å; W461-P463 HydrophobicContact CE3-CG 4.16Å; W461-P463 HydrophobicContact CH2-CB 3.69Å; W461-P463 HydrophobicContact CH2-CG 3.67Å; W461-P463 HydrophobicContact CZ2-CB 4.18Å; W461-P463 HydrophobicContact CZ2-CG 4.49Å; W461-P463 HydrophobicContact CZ3-CB 4.03Å; W461-P463 HydrophobicContact CZ3-CG 3.47Å; W461-P463 VanDerWaalsContact CZ3-CG 3.47Å
464N43.2Very low33.7Very low99 Ų9997.8 Ų97.853%0.52945%0.454SS..THydrogen-bonded Turntrans75.521.4-178-108.3-14.4000118.4I462 Q466I462-N464 PolarHBondContact O-N 3.01Å; N464-Q466 PolarHBondContact O-N 3.01Å
465R44.4Very low33.4Very low56 Ų5694.5 Ų94.521%0.21146%0.457CS..  trans-67.489151.9-74-166-165.4-143.99.3108.8Q87 G460 I462 T467Q87-R465 PolarHBondContact O-NH1 3.44Å; G460-R465 PolarHBondContact O-NH2 2.9Å; G460-R465 VanDerWaalsContact O-NH2 3.15Å; I462-R465 PolarHBondContact O-N 3.41Å; R465-T467 PolarHBondContact O-N 2.87Å
466Q30.5Very low32.9Very low122 Ų12299.6 Ų99.657%0.5748%0.478SS*.  trans-53.6109.2167.2-73.2179.2-7.200107.9N464 Y468N464-Q466 PolarHBondContact O-N 3.01Å; Q466-Y468 HydrophobicContact CB-CD2 4.04Å; Q466-Y468 HydrophobicContact CB-CE2 4.15Å; Q466-Y468 PolarHBondContact O-N 3.04Å; Q466-Y468 VanDerWaalsContact OE1-CE2 3.3Å
467T29.6Very low32.4Very low121 Ų121108.2 Ų108.274%0.74251%0.505SS*.  trans-63.484.7168.320.50000108.2R465 F469R465-T467 PolarHBondContact O-N 2.87Å; T467-F469 VanDerWaalsContact C-N 3.26Å; T467-F469 PolarHBondContact O-N 3.12Å; T467-F469 VanDerWaalsContact O-N 3.09Å
468Y25.6Very low32.2Very low154 Ų154113.5 Ų113.560%0.60454%0.543SS*.  trans-78.382.7163.6-90-80.7000108.5Q466 K470Q466-Y468 HydrophobicContact CB-CD2 4.04Å; Q466-Y468 HydrophobicContact CB-CE2 4.15Å; Q466-Y468 PolarHBondContact O-N 3.04Å; Q466-Y468 VanDerWaalsContact OE1-CE2 3.3Å; Y468-K470 HydrophobicContact CD1-CD 3.95Å; Y468-K470 HydrophobicContact CD1-CG 4.1Å; Y468-K470 HydrophobicContact CE1-CD 4.25Å; Y468-K470 PolarHBondContact O-N 3.25Å
469F26.6Very low32.2Very low179 Ų179121.5 Ų121.579%0.78558%0.582SS**  trans-6885.9148-92.3-84.4000106.9T467T467-F469 VanDerWaalsContact C-N 3.26Å; T467-F469 PolarHBondContact O-N 3.12Å; T467-F469 VanDerWaalsContact O-N 3.09Å
470K26.7Very low31.8Very low127 Ų127130.5 Ų130.555%0.55262%0.62SS**  trans-108.896.8163.9-103.2-175.6177.8-178.30108.4Y468 L472Y468-K470 HydrophobicContact CD1-CD 3.95Å; Y468-K470 HydrophobicContact CD1-CG 4.1Å; Y468-K470 HydrophobicContact CE1-CD 4.25Å; Y468-K470 PolarHBondContact O-N 3.25Å; K470-L472 PolarHBondContact O-N 3.4Å; K470-L472 VanDerWaalsContact O-N 3.15Å
471N28.1Very low31.1Very low151 Ų151133.9 Ų133.981%0.80766%0.655SS**  trans-46.2120.3147.2-73.6-29.6000107.3R473N471-R473 VanDerWaalsContact C-N 3.33Å; N471-R473 PolarHBondContact O-N 2.86Å
472L25.1Very low30.6Very low171 Ų171139.3 Ų139.390%0.89569%0.688SS**SBendtrans-57.895.9172.5-85.9122.8000108.9K470K470-L472 PolarHBondContact O-N 3.4Å; K470-L472 VanDerWaalsContact O-N 3.15Å
473R27.4Very low29.8Very low231 Ų231146.6 Ų146.687%0.87272%0.722SS**  trans-171115.3147.7-100.8161.6-158.8-143.96.6111.1N471N471-R473 VanDerWaalsContact C-N 3.33Å; N471-R473 PolarHBondContact O-N 2.86Å
474E26.9Very low29.4Very low181 Ų181153.1 Ų153.185%0.84676%0.755SS**  trans81.6144.2154.8-57.6-170.1175.400122.3
475P28.5Very low29.1Very low115 Ų115156.5 Ų156.575%0.74777%0.768SS**  trans-109.7139.8-17036-21.2000116.5
476K26.8Very low28.5Very low191 Ų191164.1 Ų164.183%0.8380%0.803SS**  trans39.5126.6142.4-63.5-175.5176.7-179.80121.8
477R26.5Very low28.9Very low258 Ų258165.9 Ų165.997%0.97481%0.811SS**  trans-134.8139138.6-79.4-173175.6-177.4-1.2110.7
478S26.8Very low29.1Very low112 Ų112165.8 Ų165.878%0.78381%0.81SS**  trans-100.9149.7-17455.60000113.2
479I29.2Very low30Very low174 Ų174162.5 Ų162.589%0.89280%0.801SS**  trans-137.9131.9160.1-60.9-179.3000109.5
480K27Very low30.8Very low212 Ų212155.7 Ų155.792%0.92278%0.775SS**  trans-91.7150.5172.7-75.2-179172.2-176.30110.5
481G29.6Very low31.6Very low82 Ų82157 Ų15785%0.84579%0.788SS**  trans-158.4145.4168.900000112.2
482N30.9Very low32.6Very low162 Ų162152.5 Ų152.587%0.86676%0.764SS**  trans-91.1168.9-151.1-118.2-1.4000117.5
483E28.7Very low34.1Very low160 Ų160147.6 Ų147.675%0.74875%0.748SS**  trans-66152.6177.6-58165.8159.100116.4
484N30.4Very low35.2Very low157 Ų157139.6 Ų139.684%0.8472%0.722SS**  trans137.790.5138.5-74.3-40.2000114.3
485E35.3Very low36.4Very low170 Ų170133.5 Ų133.579%0.79470%0.695SS**  trans-140.2122.5157.2-117.8174-175.600110.1H487E485-H487 PolarHBondContact O-N 3.45Å
486K33Very low37.8Very low216 Ų216131 Ų13194%0.93968%0.675SS**  trans-72.499.9-179.8-69.6174.5178.2175.40108.9
487H38.1Very low39.5Very low160 Ų160129.8 Ų129.874%0.74167%0.672SS**  trans-87.2121.1175.3-85.4-71.2000111.9E485E485-H487 PolarHBondContact O-N 3.45Å
488V34.1Very low40.7Very low119 Ų119121 Ų12172%0.72166%0.655SS**  trans-61.9134.2165.7174.30000108.4T490V488-T490 VanDerWaalsContact C-N 3.33Å; V488-T490 PolarHBondContact O-N 3.36Å
489I44.8Very low41.6Very low84 Ų84120.5 Ų120.543%0.43164%0.643SS.*SBendtrans-66.1-34.2-166.6-70.3167.5000112.3S505I489-S505 WeakPolarHBondContact CD1-O 3.34Å
490T43Very low42.4Very low36 Ų36116.9 Ų116.922%0.22163%0.63CS.*  trans-180138166.2-179.10000107.2V488 D492 I495V488-T490 VanDerWaalsContact C-N 3.33Å; V488-T490 PolarHBondContact O-N 3.36Å; T490-D492 VanDerWaalsContact C-N 3.3Å; T490-D492 WeakPolarHBondContact OG1-CB 3.4Å; T490-D492 PolarHBondContact OG1-N 2.9Å; T490-I495 HydrophobicContact CG2-CB 4.05Å; T490-I495 HydrophobicContact CG2-CD1 4.2Å; T490-I495 HydrophobicContact CG2-CG2 3.82Å
491D44.1Very low43.4Very low154 Ų154109.8 Ų109.882%0.82462%0.618SS**  trans-948.516845-19.7000111.6A493D491-A493 PolarHBondContact O-N 3.41Å
492D48.8Very low44.4Very low58 Ų58107.8 Ų107.831%0.3159%0.588SS.*  trans-74.3104.6178.5-165.1-44000110.8T490 D494 I495 L496T490-D492 VanDerWaalsContact C-N 3.3Å; T490-D492 WeakPolarHBondContact OG1-CB 3.4Å; T490-D492 PolarHBondContact OG1-N 2.9Å; D492-D494 PolarHBondContact O-N 3.5Å; D492-D494 WeakPolarHBondContact OD1-CA 3.32Å; D492-D494 VanDerWaalsContact OD1-CB 3.25Å; D492-D494 WeakPolarHBondContact OD1-CB 3.14Å; D492-D494 PolarHBondContact OD1-N 3.11Å; D492-I495 HydrophobicContact CB-CB 4.17Å; D492-I495 HydrophobicContact CB-CD1 3.78Å; D492-I495 HydrophobicContact CB-CG1 3.85Å; D492-I495 PolarHBondContact O-N 2.82Å; D492-I495 PolarHBondContact OD1-N 2.93Å; D492-L496 PolarHBondContact O-N 2.73Å
493A57.3Low45.3Very low67 Ų67107.3 Ų107.355%0.55458%0.58SS**Hα-helixtrans-56.2-31.2177.800000112.6D491 I495 L496 E497D491-A493 PolarHBondContact O-N 3.41Å; A493-I495 VanDerWaalsContact C-N 3.3Å; A493-I495 PolarHBondContact O-N 2.8Å; A493-L496 PolarHBondContact O-N 3.39Å; A493-E497 WeakPolarHBondContact O-CB 3.29Å; A493-E497 PolarHBondContact O-N 3.13Å
494D50.5Low46.4Very low63 Ų63108.8 Ų108.834%0.33758%0.584SS.*Hα-helixtrans-75.2-22.9-179.8-57.6-6.9000112R441 D492 A498R441-D494 WeakPolarHBondContact CD-OD2 3.41Å; R441-D494 IonicContact CZ-OD2 3.93Å; R441-D494 IonicContact NE-OD2 3.39Å; R441-D494 PolarHBondContact NE-OD2 3.3Å; R441-D494 IonicContact NH1-OD2 3.18Å; R441-D494 PolarHBondContact NH1-OD2 2.93Å; D492-D494 PolarHBondContact O-N 3.5Å; D492-D494 WeakPolarHBondContact OD1-CA 3.32Å; D492-D494 VanDerWaalsContact OD1-CB 3.25Å; D492-D494 WeakPolarHBondContact OD1-CB 3.14Å; D492-D494 PolarHBondContact OD1-N 3.11Å; D494-A498 WeakPolarHBondContact O-CB 3.15Å; D494-A498 PolarHBondContact O-N 2.77Å
495I52Low46.8Very low54 Ų54103.2 Ų103.228%0.27756%0.557SS.*Hα-helixtrans-79.2-38.9173.6-63-179.6000110.4T490 D492 A493 E497 A498 L499 L502T490-I495 HydrophobicContact CG2-CB 4.05Å; T490-I495 HydrophobicContact CG2-CD1 4.2Å; T490-I495 HydrophobicContact CG2-CG2 3.82Å; D492-I495 HydrophobicContact CB-CB 4.17Å; D492-I495 HydrophobicContact CB-CD1 3.78Å; D492-I495 HydrophobicContact CB-CG1 3.85Å; D492-I495 PolarHBondContact O-N 2.82Å; D492-I495 PolarHBondContact OD1-N 2.93Å; A493-I495 VanDerWaalsContact C-N 3.3Å; A493-I495 PolarHBondContact O-N 2.8Å; I495-E497 VanDerWaalsContact C-N 3.31Å; I495-E497 PolarHBondContact O-N 3.17Å; I495-A498 PolarHBondContact O-N 3.33Å; I495-L499 PolarHBondContact O-N 3.36Å; I495-L499 VanDerWaalsContact O-N 3.13Å; I495-L502 HydrophobicContact CG2-CD1 3.42Å; I495-L502 VanDerWaalsContact CG2-CD1 3.42Å
496L56.4Low46.9Very low62 Ų62105.7 Ų105.733%0.32556%0.559SS.*Hα-helixtrans-67.5-30.8175.3-66.4171.9000112.1D492 A493 E503D492-L496 PolarHBondContact O-N 2.73Å; A493-L496 PolarHBondContact O-N 3.39Å; L496-E503 HydrophobicContact CD2-CG 3.98Å
497E62.4Low46.8Very low165 Ų165101 Ų10177%0.77154%0.544SS*.Hα-helixtrans-76.3-38.3175.2-166.7177.5-166.100112.8A493 I495A493-E497 WeakPolarHBondContact O-CB 3.29Å; A493-E497 PolarHBondContact O-N 3.13Å; I495-E497 VanDerWaalsContact C-N 3.31Å; I495-E497 PolarHBondContact O-N 3.17Å
498A52Low46.6Very low74 Ų7499.7 Ų99.761%0.61254%0.541SS*.Hα-helixtrans-74.6-2618000000113.6D494 I495D494-A498 WeakPolarHBondContact O-CB 3.15Å; D494-A498 PolarHBondContact O-N 2.77Å; I495-A498 PolarHBondContact O-N 3.33Å
499L46.8Very low47.4Very low102 Ų10296.5 Ų96.553%0.53453%0.533SS..  trans-142.778.6-175.5-70.7171.9000110.1I495 G501 L502I495-L499 PolarHBondContact O-N 3.36Å; I495-L499 VanDerWaalsContact O-N 3.13Å; L499-G501 PolarHBondContact O-N 3.37Å; L499-L502 HydrophobicContact CB-CB 4.5Å; L499-L502 HydrophobicContact CB-CD1 3.57Å; L499-L502 HydrophobicContact CB-CG 3.86Å; L499-L502 HydrophobicContact CD1-CD1 3.67Å; L499-L502 HydrophobicContact CD1-CG 4.35Å; L499-L502 HydrophobicContact CG-CD1 4.27Å; L499-L502 WeakPolarHBondContact O-CB 3.23Å; L499-L502 PolarHBondContact O-N 3.27Å
500P45.7Very low46.7Very low97 Ų97100 Ų10063%0.6355%0.552SS**G310 helixtrans-60.2-17.4-179.520.3-31.4000113.8L502P500-L502 PolarHBondContact O-N 2.68Å
501G46.7Very low46.2Very low64 Ų64103.9 Ų103.966%0.6657%0.568SS**G310 helixtrans-69.3-13.1171.400000115L499 E503L499-G501 PolarHBondContact O-N 3.37Å; G501-E503 VanDerWaalsContact C-N 3.33Å
502L51Low45.5Very low40 Ų40106.5 Ų106.521%0.20957%0.567CS.*G310 helixtrans-77.5-12.8179.5-78.1172.8000114.1I495 L499 P500 K504 S505I495-L502 HydrophobicContact CG2-CD1 3.42Å; I495-L502 VanDerWaalsContact CG2-CD1 3.42Å; L499-L502 HydrophobicContact CB-CB 4.5Å; L499-L502 HydrophobicContact CB-CD1 3.57Å; L499-L502 HydrophobicContact CB-CG 3.86Å; L499-L502 HydrophobicContact CD1-CD1 3.67Å; L499-L502 HydrophobicContact CD1-CG 4.35Å; L499-L502 HydrophobicContact CG-CD1 4.27Å; L499-L502 WeakPolarHBondContact O-CB 3.23Å; L499-L502 PolarHBondContact O-N 3.27Å; P500-L502 PolarHBondContact O-N 2.68Å; L502-K504 PolarHBondContact O-N 3.48Å; L502-K504 VanDerWaalsContact O-N 3.15Å; L502-S505 WeakPolarHBondContact CA-OG 3.31Å; L502-S505 WeakPolarHBondContact CD2-OG 3.49Å; L502-S505 PolarHBondContact O-OG 3.12Å; L502-S505 VanDerWaalsContact O-OG 3.13Å
503E51.4Low44.6Very low151 Ų151111.9 Ų111.971%0.70658%0.584SS**G310 helixtrans-64-17.3174.9-80.4-171.9153.200113L496 G501L496-E503 HydrophobicContact CD2-CG 3.98Å; G501-E503 VanDerWaalsContact C-N 3.33Å
504K50.1Low43.4Very low192 Ų192116 Ų11684%0.83560%0.596SS**G310 helixtrans-119.7-0.3-173-62.4-177-176.6176.10114.7L502L502-K504 PolarHBondContact O-N 3.48Å; L502-K504 VanDerWaalsContact O-N 3.15Å
505S39.4Very low42.6Very low39 Ų39118.9 Ų118.927%0.27362%0.616SS.*  trans-81144.6-179.336.80000111.7I489 L502I489-S505 WeakPolarHBondContact CD1-O 3.34Å; L502-S505 WeakPolarHBondContact CA-OG 3.31Å; L502-S505 WeakPolarHBondContact CD2-OG 3.49Å; L502-S505 PolarHBondContact O-OG 3.12Å; L502-S505 VanDerWaalsContact O-OG 3.13Å
506R38.1Very low41.6Very low222 Ų222123.2 Ų123.284%0.83864%0.64SS**  trans-117.9132.7170.7-80.7-176.1177.3-177.20.6108.9
507L30.7Very low40.5Very low119 Ų119125.4 Ų125.462%0.62366%0.66SS**  trans-79128174.6-146.594.5000109.9G509L507-G509 WeakPolarHBondContact CD2-O 3.29Å
508I33.5Very low38.8Very low131 Ų131125.4 Ų125.467%0.67267%0.665SS**BIsolated β-bridgetrans-129.199.7166.1-57.5178.4000107
509G50Low38Very low53 Ų53126.4 Ų126.455%0.54667%0.668SS.*THydrogen-bonded Turntrans71.5-145.5-175.400000113.6L507 H511L507-G509 WeakPolarHBondContact CD2-O 3.29Å; G509-H511 VanDerWaalsContact C-N 3.31Å
510D31.1Very low37.3Very low158 Ų158130 Ų13085%0.84568%0.682SS**THydrogen-bonded Turntrans-8912.1179.7-62.7-27.2000113.3
511H32Very low36.9Very low117 Ų117129.9 Ų129.954%0.54268%0.683SS.*BIsolated β-bridgetrans-109.5132.9-175.7-71-68.6000113G509 Y513G509-H511 VanDerWaalsContact C-N 3.31Å; H511-Y513 PolarHBondContact O-N 3.17Å
512Y29.7Very low36.3Very low208 Ų208135.2 Ų135.282%0.81670%0.697SS**  trans-78.1110.9165-68.3-94.4000108.8
513Y30.9Very low35.7Very low171 Ų171140.3 Ų140.367%0.67172%0.724SS**  trans-92.8110.9166.3-96.6-90.3000109.6H511H511-Y513 PolarHBondContact O-N 3.17Å
514L31.6Very low34.8Very low153 Ų153136.3 Ų136.380%0.80172%0.723SS**  trans-83.8106158.7-84.3152000107.2L516L514-L516 PolarHBondContact O-N 3.25Å; L514-L516 VanDerWaalsContact O-N 3.14Å
515T33.9Very low34.1Very low124 Ų124134.3 Ų134.376%0.76172%0.722SS**  trans-7496.9159.444.50000107.2S517T515-S517 PolarHBondContact O-N 2.88Å
516L30.9Very low33.8Very low146 Ų146139.7 Ų139.776%0.76475%0.747SS**  trans-67.3113.3159.3-66.8175.8000106.2L514 D518L514-L516 PolarHBondContact O-N 3.25Å; L514-L516 VanDerWaalsContact O-N 3.14Å; L516-D518 PolarHBondContact O-N 2.9Å; L516-D518 VanDerWaalsContact O-N 3.15Å
517S32.8Very low33.6Very low108 Ų108133.1 Ų133.176%0.75574%0.74SS**  trans-65.2110.3169.6-55.60000108.1T515 S519T515-S517 PolarHBondContact O-N 2.88Å; S517-S519 PolarHBondContact O-N 2.86Å
518D27.6Very low33.6Very low165 Ų165133.4 Ų133.488%0.88275%0.748SS**  trans-64.9113.1160.1-76.3-30.5000108.5L516L516-D518 PolarHBondContact O-N 2.9Å; L516-D518 VanDerWaalsContact O-N 3.15Å
519S33.6Very low33.6Very low94 Ų94133.8 Ų133.866%0.65775%0.748SS**  trans-166.6127.7155.956.50000107.2S517S517-S519 PolarHBondContact O-N 2.86Å
520E33.6Very low32.9Very low179 Ų179139.5 Ų139.584%0.83676%0.758SS**  cis-165.6143.31-100.1173.816700104.6
521S36.5Very low33.1Very low93 Ų93136.8 Ų136.865%0.6575%0.751SS**  trans36.3107.8151.360.70000120.6D523S521-D523 PolarHBondContact O-N 3.49Å
522D33.9Very low33.2Very low177 Ų177140.9 Ų140.995%0.94777%0.768SS**  trans-84.587.2143.6-114.9-13.2000106.9
523D39.3Very low33.4Very low147 Ų147135.3 Ų135.379%0.78676%0.764SS**  trans-102.5125160.9-92.1-35.3000108.2S521S521-D523 PolarHBondContact O-N 3.49Å
524G32.7Very low33.3Very low67 Ų67136.4 Ų136.469%0.69178%0.776SS**  trans-68.3162.917000000112.4
525D35Very low33.2Very low150 Ų150135.2 Ų135.280%0.80278%0.779SS**  trans88.9104.1166.5-63.6-20.8000119
526N32Very low32.8Very low151 Ų151134.4 Ų134.481%0.80778%0.778SS**  trans78.2117.1131.2-71.1-40.6000120.3
527A33.5Very low32.9Very low84 Ų84135.7 Ų135.769%0.69478%0.784SS**  104.4109.8127.700000118.7
528T32.5Very low32.8Very low126 Ų126136.1 Ų136.177%0.77378%0.783SS**  trans83.9122.1132.2190000122.1
529M32.6Very low33.1Very low138 Ų138136.8 Ų136.868%0.6878%0.778SS**  trans97.6115.4133-74.5-139.8163.300120.8
530K34.7Very low33.2Very low173 Ų173140.3 Ų140.375%0.75278%0.782SS**  trans69.9140.7133.2-68.1175.9177.21660116.3
531S36.2Very low33.4Very low101 Ų101138.1 Ų138.171%0.70677%0.771SS**  cis-175.9143.47.842.10000110.2
532K32.9Very low33.3Very low204 Ų204142.9 Ų142.989%0.88778%0.78SS**  trans43.1125.6136.7-69.6-177.3172.4-178.70122.4
533A34.5Very low33.3Very low90 Ų90137.5 Ų137.574%0.74477%0.766SS**  160.6108110.400000109.2
534E29.6Very low33.1Very low195 Ų195139.1 Ų139.191%0.91177%0.773SS**  55.5115.890.3-79.3-173.5167.700116.1
535C28.3Very low33.1Very low128 Ų128140.4 Ų140.487%0.86577%0.772SS**  -174.5137.1113-158.40000112.3
536S26.4Very low33.2Very low106 Ų106139.7 Ų139.774%0.74177%0.772SS**  trans-114.9143.917848.30000109.7
537L33Very low33.2Very low173 Ų173139.7 Ų139.791%0.90677%0.772SS**  trans-144.5133.6163.5-88.8172.3000111.8
538T29.9Very low33Very low118 Ų118147.1 Ų147.172%0.72478%0.784SS**  trans-111.1153.3-179.248.50000109.8
539K35.2Very low32.9Very low179 Ų179149.9 Ų149.978%0.77879%0.788SS**  143.7142.3128.6-88.7176.3178.4167.20116.8
540K35.5Very low33Very low168 Ų168147.8 Ų147.873%0.7379%0.792SS**  trans77.7146.3143.1-78.2173.8171.1-1730117.6
541Q36.1Very low32.9Very low132 Ų132144.7 Ų144.762%0.61779%0.792SS**  cis-172.91510.3-124167.7-26.900109.4
542K35.4Very low32.6Very low194 Ų194151.2 Ų151.284%0.84380%0.802SS**  trans42.3141.3141.7-68.7172.9175.5-173.20120
543G32.9Very low32.5Very low63 Ų63151.7 Ų151.765%0.64980%0.804SS**  cis173.8166.511.300000108.5
544I37.1Very low32.2Very low182 Ų182159.1 Ų159.193%0.93381%0.812SS**  176.2139.7119.1-83.4156.6000107.9
545S31.6Very low32.3Very low94 Ų94159.9 Ų159.966%0.65781%0.813SS**  trans-109.5155.2-178.975.90000112.3
546T36.2Very low32.3Very low134 Ų134160 Ų16082%0.82281%0.81SS**  trans-171105.6139360000108
547L33.5Very low32.6Very low151 Ų151164.1 Ų164.179%0.79181%0.814SS**  63.3107.688.5-98.1154.6000115.4
548Y29.8Very low32.5Very low241 Ų241162.2 Ų162.295%0.94581%0.805SS**  trans-162.6119.2130.3-109.8-80.1000110.2
549Q29.2Very low32.7Very low184 Ų184164.3 Ų164.386%0.8681%0.812SS**  trans-128160.9170.2-112.8-170.9-2.600107.9
550A34Very low32.5Very low93 Ų93163 Ų16377%0.76981%0.813SS**  trans109.7138.7169.300000113.6
551S33.5Very low32.3Very low109 Ų109158.7 Ų158.776%0.76282%0.817SS**  cis-173.3140.3-3.9-93.50000109.4
552R29.2Very low32Very low238 Ų238158.7 Ų158.790%0.89882%0.821SS**  trans12.1134.7149.4-64.7175.3171.4177.9-2.5120.6
553K32.3Very low31.9Very low214 Ų214154.4 Ų154.493%0.9381%0.813SS**  -172.3133.8113.3-104.7171.1-177.4176.40113.8
554R26.4Very low31.5Very low245 Ų245155.9 Ų155.993%0.92581%0.809SS**  trans-78148.1169-72.5174.2173.6163-3.5111.1
555K31.9Very low31.1Very low212 Ų212157.8 Ų157.892%0.92281%0.805SS**  trans-162.7134.3136-120.2178.3-179-179.20111.9
556T29.6Very low30.8Very low131 Ų131158 Ų15880%0.80481%0.806SS**  trans-83.6146.8178.148.10000112.5
557K31.8Very low30.3Very low191 Ų191159 Ų15983%0.8380%0.804SS**  175.1130.9120.2-117.9-178.4172.2-177.60112.9
558N30.8Very low30.1Very low134 Ų134157.7 Ų157.772%0.71780%0.804SS**  trans0.8139.5152.2-53.23.6000119.9
559D34.4Very low29.9Very low162 Ų162150.7 Ų150.787%0.86679%0.79SS**  -156.5145.8105.2-127-14000112.6
560D30.4Very low30.4Very low151 Ų151147.4 Ų147.481%0.80779%0.785SS**  trans-81.3165.3-167.9-73.1-57.4000115.2
561G33Very low30.3Very low78 Ų78150.1 Ų150.180%0.80479%0.792SS**  trans165.164.3159.800000117.9
562D28.7Very low30Very low131 Ų131156.3 Ų156.370%0.70180%0.799SS**  trans-90.6155.5149.9-168.427.1000107.5T564D562-T564 PolarHBondContact OD1-N 3.22Å; D562-T564 VanDerWaalsContact OD1-N 3.08Å; D562-T564 PolarHBondContact OD2-OG1 2.92Å
563P33.4Very low30.1Very low105 Ų105156.9 Ų156.968%0.68280%0.801SS**  -149.5136.583.631.4-8.6000116.2
564T24.7Very low29.8Very low93 Ų93157 Ų15757%0.57180%0.796SS**  28144117-9.40000119.8D562D562-T564 PolarHBondContact OD1-N 3.22Å; D562-T564 VanDerWaalsContact OD1-N 3.08Å; D562-T564 PolarHBondContact OD2-OG1 2.92Å
565W27.7Very low29.9Very low222 Ų222154.9 Ų154.984%0.84179%0.794SS**  165.3112.5125.2-85110.2000115
566S26.4Very low29.8Very low98 Ų98148.2 Ų148.269%0.68579%0.785SS**  trans60.3126.6134.345.40000125.3
567M25.9Very low29.7Very low157 Ų157146.8 Ų146.877%0.77379%0.786SS**  trans-60.3162.7155.4-73.3-88.2-78.700113.3
568P28.6Very low29.7Very low123 Ų123144 Ų14480%0.79979%0.786SS**  -151.2154.399.735.2-15.8000117.1
569S26Very low29.5Very low93 Ų93146.6 Ų146.665%0.6579%0.79SS**  trans-83-170.6160.9-52.20000111
570P38.9Very low29.3Very low116 Ų116150.8 Ų150.875%0.75379%0.794SS**  -122.2165.2-60.334.5-19.3000112
571T32.3Very low29.3Very low150 Ų150152.1 Ų152.192%0.9279%0.793SS**  trans-153.9130.7158180000114.5
572R26.9Very low29Very low238 Ų238154 Ų15490%0.89879%0.794SS**  trans-51.5141.8168.5-77.9174.3169.1-171-1.9112.7
573R31.7Very low29.1Very low250 Ų250157.1 Ų157.194%0.94380%0.801SS**  trans-142.2120.6133.8-93.3-172-178.7179.30.5111.6
574R26.7Very low28.8Very low216 Ų216157.5 Ų157.582%0.81581%0.806SS**  trans-66.8147.8161.4-89.2177.9170.5169.6-3.9109.5
575F28.4Very low29.2Very low202 Ų202157.9 Ų157.989%0.88681%0.813SS**  145.7133.2124.3-89.4-77.7000110.7
576G30.3Very low29.1Very low71 Ų71156.8 Ų156.873%0.73281%0.814SS**  trans145.169164.600000114.3T578G576-T578 PolarHBondContact O-N 3.08Å
577A27Very low29.2Very low101 Ų101159.8 Ų159.884%0.83582%0.821SS**  trans-59.4128.7170.800000111.3
578T30.9Very low29.3Very low134 Ų134158 Ų15882%0.82282%0.819SS**  trans-140120.5151.425.80000111.6G576G576-T578 PolarHBondContact O-N 3.08Å
579K27Very low29.3Very low187 Ų187158.6 Ų158.681%0.81382%0.82SS**  trans-74.5107.3-174.6-152.9179.2-166.3172.20109.4
580W29.5Very low29.5Very low250 Ų250158.4 Ų158.495%0.94782%0.819SS**  trans-105.8109167.7-87.532.9000110.4
581K30.6Very low28.9Very low180 Ų180160.5 Ų160.578%0.78382%0.824SS**  trans-69.3134.9-177.2-72177.2173.5178.70110.1K583K581-K583 PolarHBondContact O-N 3.26Å
582S27.2Very low28.8Very low117 Ų117159.3 Ų159.382%0.81881%0.811SS**  trans-39.2123.2152.6162.50000111.2
583K31.5Very low28.8Very low196 Ų196157.5 Ų157.585%0.85281%0.81SS**  trans-127.1106.5155.2-89.7-171176-1790108.8K581 S585K581-K583 PolarHBondContact O-N 3.26Å; K583-S585 PolarHBondContact O-N 3.08Å
584S27.6Very low28.7Very low113 Ų113155.6 Ų155.679%0.7980%0.803SS**  trans-42.4128.2155.8109.70000109.5
585S31.9Very low28.9Very low102 Ų102152.7 Ų152.771%0.71380%0.803SS**  trans-137.1111.1155.740.80000108.4K583 L587K583-S585 PolarHBondContact O-N 3.08Å; S585-L587 PolarHBondContact O-N 3.27Å
586K26.8Very low28.8Very low198 Ų198153.4 Ų153.486%0.86181%0.806SS**  trans-49.3118.2161.5-74170.5171.91750108.2
587L28.5Very low28.9Very low161 Ų161159.3 Ų159.384%0.84381%0.812SS**  trans-104.4102.7162.3-101.2154.5000108.1S585 V589S585-L587 PolarHBondContact O-N 3.27Å; L587-V589 PolarHBondContact O-N 3.46Å
588V27.1Very low28.8Very low120 Ų120160 Ų16073%0.72781%0.81SS**  trans-57.2118.4165.8172.50000107.7S590V588-S590 PolarHBondContact O-N 3.04Å
589V28.4Very low28.6Very low135 Ų135161.7 Ų161.782%0.81881%0.813SS**  trans-77105167.8177.30000106.9L587L587-V589 PolarHBondContact O-N 3.46Å
590S31Very low28.5Very low89 Ų89159.9 Ų159.962%0.62281%0.807SS**  trans-75127.4169.941.60000110V588 L592V588-S590 PolarHBondContact O-N 3.04Å; S590-L592 PolarHBondContact O-N 3.21Å
591N26.3Very low28.2Very low161 Ų161153.3 Ų153.386%0.86180%0.797SS**  trans-56.1115.8170.7-71.6-45.8000110.8
592L29.7Very low28Very low124 Ų124152.6 Ų152.665%0.64980%0.801SS**  trans-121.194.9162.4-105.2145.2000108.5S590 R594S590-L592 PolarHBondContact O-N 3.21Å; L592-R594 PolarHBondContact O-N 3.05Å
593K26.1Very low27.9Very low201 Ų201154.8 Ų154.887%0.87480%0.802SS**  trans-54119158.1-72176.1174.1178.40107.9
594R30.9Very low27.8Very low210 Ų210150.8 Ų150.879%0.79280%0.799SS**  trans-138102.9157.2-83.9-166.2175.9115.5-0.4110L592L592-R594 PolarHBondContact O-N 3.05Å
595D30.1Very low27.7Very low155 Ų155153.9 Ų153.983%0.82980%0.801SS**  trans33.7114.8138.8-61.6-32000119.9K597D595-K597 PolarHBondContact O-N 2.75Å
596K27Very low27.6Very low216 Ų216155.4 Ų155.494%0.93981%0.806SS**  trans-48.7110.1161.9-61.5174176.4-177.90111.2
597K31.3Very low27.8Very low196 Ų196152.4 Ų152.485%0.85280%0.799SS**  trans-141.1127.5148.7-78.1-166.9177.8178.50109.6D595D595-K597 PolarHBondContact O-N 2.75Å
598S26Very low28Very low115 Ų115150.6 Ų150.680%0.80480%0.797SS**  trans-54.3133.217755.70000112.3
599L25.5Very low28.4Very low170 Ų170150 Ų15089%0.8980%0.798SS**  trans-13575.3163.5-75.9170.2000108.3
600H26Very low28.7Very low149 Ų149148.4 Ų148.469%0.6979%0.793SS**  trans-148.4107.5153.1-140.6-62.7000107.4
601P23.7Very low28.9Very low111 Ų111150 Ų15072%0.72180%0.804SS**THydrogen-bonded Turntrans-72.4135.216028.4-22.4000106.6
602L25Very low29.3Very low166 Ų166146.3 Ų146.387%0.86980%0.804SS**THydrogen-bonded Turntrans112.210.8176.3-58.3172.8000118.7
603L26.1Very low29.5Very low162 Ų162145.8 Ų145.885%0.84881%0.811SS**  trans-139.486.8163-67.9173000111.2
604S28.9Very low30Very low113 Ų113141.5 Ų141.579%0.7981%0.807SS**  trans-122113.1155.661.60000108
605E26.2Very low30.2Very low177 Ų177135.9 Ų135.983%0.82781%0.805SS**  trans-53.6140.3179.2-59.9-178.1159.500112.5
606V29.9Very low30.5Very low134 Ų134137.4 Ų137.481%0.81281%0.812SS**  trans-130.397.9155.5-178.10000107.8
607N30.3Very low30.8Very low136 Ų136136.9 Ų136.973%0.72781%0.81SS**  trans-72.9136.2155.9-81-45.8000108.6
608P32.5Very low31.1Very low123 Ų123133.1 Ų133.180%0.79981%0.805SS**  trans-88.3118.1176.432-27.7000110.6
609S35.4Very low31.5Very low106 Ų106137.7 Ų137.774%0.74181%0.811SS**  trans-130.8111.1157.953.80000110.8
610S35.3Very low31.9Very low103 Ų103135.1 Ų135.172%0.7280%0.802SS**  trans25.9112.714559.10000120.6
611S34.2Very low32.3Very low122 Ų122136.1 Ų136.185%0.85381%0.812SS**  56.9118.4128.264.20000121.1
612G34.1Very low32.7Very low84 Ų84136.9 Ų136.987%0.86682%0.815SS**  trans172.9131.1158.700000112.1
613S35.3Very low33.2Very low113 Ų113134.9 Ų134.979%0.7982%0.815SS**  trans-95.9171-153.759.60000117.4
614S36.3Very low33.4Very low111 Ų111133.5 Ų133.578%0.77681%0.814SS**  trans89.5104.7157.275.50000116.2
615A34.4Very low33.7Very low92 Ų92136.8 Ų136.876%0.7682%0.821SS**  80.4109.564.600000113.5
616L36Very low34.1Very low186 Ų186136.8 Ų136.897%0.97482%0.821SS**  -177.8141.8126.5-91163.6000110.8
617K34.9Very low34.3Very low205 Ų205135.9 Ų135.989%0.89182%0.821SS**  trans-96.5170.7-162.8-100.9-176.3179.4178.80113.9
618P37.6Very low34.4Very low117 Ų117137.9 Ų137.976%0.7683%0.825SS**  trans-101.6176.8-159.140.4-35.3000115
619K33.8Very low34.5Very low211 Ų211140.8 Ų140.892%0.91783%0.83SS**  trans-134.9137.4161-99.9-175.6177.3-179.60112.1
620V34.9Very low34.4Very low116 Ų116141.8 Ų141.870%0.70383%0.832SS**  trans-78.4147.2176.5171.70000109.7
621D34.2Very low34.1Very low170 Ų170143.3 Ų143.391%0.90984%0.837SS**  trans-153.6130.8141.8-91.4-31.6000111.1
622T30.7Very low34.1Very low128 Ų128144.6 Ų144.679%0.78583%0.834SS**  trans-95135.9178.539.90000110.7
623S35.7Very low33.9Very low123 Ų123146 Ų14686%0.8683%0.831SS**  trans-153.3114.1152.762.10000111.5
624T31.2Very low33.8Very low134 Ų134149.8 Ų149.882%0.82284%0.836SS**  trans-67139.7170.128.40000113.1
625L35.2Very low33.6Very low181 Ų181153.4 Ų153.495%0.94884%0.838SS**  trans-140.1117.1154.4-97.1159.6000109.2
626H33.3Very low33.5Very low177 Ų177155 Ų15582%0.81984%0.841SS**  trans-71.9140.2174-92.6-63.3000111.6
627S34.6Very low33.4Very low116 Ų116157.7 Ų157.781%0.81184%0.838SS**  trans-134.5122.5149.256.90000110
628H33.5Very low33.4Very low177 Ų177154.5 Ų154.582%0.81984%0.836SS**  trans-66.8136.3175.4-81.8-98.4000111.2
629M34.2Very low33.5Very low185 Ų185158 Ų15891%0.91184%0.838SS**  trans-142.7146.4146.4-74.6-146.995.300110.7
630T32.4Very low33.7Very low126 Ų126152.7 Ų152.777%0.77383%0.828SS**  trans-84.5139.8-148-35.70000113N632T630-N632 PolarHBondContact O-N 2.84Å
631V29.8Very low34Very low135 Ų135154.8 Ų154.882%0.81884%0.835SS**  trans-70.9115171.6175.70000109.3
632N33.3Very low34.8Very low149 Ų149151.4 Ų151.480%0.79782%0.816SS**  trans-102.9111.5163.8-95.6-16.2000109.1T630 Q634T630-N632 PolarHBondContact O-N 2.84Å; N632-Q634 PolarHBondContact O-N 3.3Å
633S29.7Very low36.1Very low115 Ų115149 Ų14980%0.80480%0.801SS**  trans-64.1107.117155.10000110.8
634Q34.2Very low36.9Very low191 Ų191147.7 Ų147.789%0.89379%0.788SS**  trans-91.2118.1166.4-79.5-171.7-17.800110.1N632N632-Q634 PolarHBondContact O-N 3.3Å
635K32.4Very low37.7Very low188 Ų188151.6 Ų151.682%0.81779%0.788SS**  trans-54147.3172.7-70.3176.4175.8178.40111.1R637K635-R637 PolarHBondContact O-N 2.79Å; K635-R637 VanDerWaalsContact O-N 3.09Å
636P32.4Very low38.9Very low126 Ų126148 Ų14882%0.81877%0.766SS**  trans-65.1115.217528-31.3000108.9T638P636-T638 PolarHBondContact O-N 2.91Å
637R33.5Very low39.9Very low242 Ų242146 Ų14691%0.91375%0.751SS**  trans-68.8111.5169.3-95.2178.8152.8172.4-6.3108.1K635 K639K635-R637 PolarHBondContact O-N 2.79Å; K635-R637 VanDerWaalsContact O-N 3.09Å; R637-K639 PolarHBondContact O-N 3.11Å; R637-K639 VanDerWaalsContact O-N 3.11Å
638T34.7Very low40.7Very low138 Ų138145.5 Ų145.585%0.84774%0.739SS**  trans-55.4109.8165.544.60000109.2P636 S640P636-T638 PolarHBondContact O-N 2.91Å; T638-S640 PolarHBondContact O-N 3.4Å
639K39.2Very low42.1Very low189 Ų189138.5 Ų138.582%0.82271%0.712SS**  trans-65.5116.7173-74.9-174176.4-174.20108.3R637 N641R637-K639 PolarHBondContact O-N 3.11Å; R637-K639 VanDerWaalsContact O-N 3.11Å; K639-N641 PolarHBondContact O-N 3.04Å
640S38.9Very low43.6Very low100 Ų100137.3 Ų137.370%0.69970%0.702SS**  trans-68.6125171.157.40000109.3T638 I642T638-S640 PolarHBondContact O-N 3.4Å; S640-I642 PolarHBondContact O-N 3.44Å
641N40Very low44.8Very low160 Ų160140.4 Ų140.486%0.85670%0.699SS**  trans-58.5107.4177.1-76.8-21.8000110.9K639K639-N641 PolarHBondContact O-N 3.04Å
642I52.4Low46.4Very low100 Ų100139.4 Ų139.451%0.51369%0.689SS.*  trans-78.3120.3171.2-65.1177.5000107.8S640 Q646 R647S640-I642 PolarHBondContact O-N 3.44Å; I642-Q646 HydrophobicContact CG2-CB 3.59Å; I642-R647 HydrophobicContact CG2-CG 4Å
643T57Low47.5Very low76 Ų76135.8 Ų135.847%0.46669%0.687SS.*  trans-69.6155.1-179.961.50000111.6R645 Q646 R647T643-R645 PolarHBondContact O-N 3.26Å; T643-R645 VanDerWaalsContact O-N 3.16Å; T643-Q646 WeakPolarHBondContact O-CB 3.35Å; T643-Q646 PolarHBondContact O-N 3.34Å; T643-Q646 WeakPolarHBondContact OG1-CG 3.44Å; T643-Q646 PolarHBondContact OG1-N 2.68Å; T643-Q646 PolarHBondContact OG1-OE1 3.02Å; T643-R647 PolarHBondContact O-N 3.26Å; T643-R647 VanDerWaalsContact O-N 3.12Å
644V52Low48.7Very low97 Ų97138.6 Ų138.659%0.58869%0.691SS**Hα-helixtrans-52.3-37173.4176.50000111.3Q646 R647 L648V644-Q646 PolarHBondContact O-N 3.34Å; V644-R647 PolarHBondContact O-N 3.11Å; V644-L648 PolarHBondContact O-N 2.67Å
645R48.8Very low49.4Very low216 Ų216136 Ų13682%0.81568%0.68SS**Hα-helixtrans-61.8-40.6176.5-165.6177.1-175.2178.42.1112.9T643 L648 A649T643-R645 PolarHBondContact O-N 3.26Å; T643-R645 VanDerWaalsContact O-N 3.16Å; R645-L648 PolarHBondContact O-N 2.71Å; R645-A649 WeakPolarHBondContact O-CB 3.14Å; R645-A649 PolarHBondContact O-N 2.81Å
646Q59.5Low50.3Low104 Ų104133.2 Ų133.249%0.48667%0.673SS.*Hα-helixtrans-70.5-36.4176.6-75.2167-36.200112I642 T643 V644 L648 K650I642-Q646 HydrophobicContact CG2-CB 3.59Å; T643-Q646 WeakPolarHBondContact O-CB 3.35Å; T643-Q646 PolarHBondContact O-N 3.34Å; T643-Q646 WeakPolarHBondContact OG1-CG 3.44Å; T643-Q646 PolarHBondContact OG1-N 2.68Å; T643-Q646 PolarHBondContact OG1-OE1 3.02Å; V644-Q646 PolarHBondContact O-N 3.34Å; Q646-L648 VanDerWaalsContact C-N 3.33Å; Q646-K650 WeakPolarHBondContact O-CB 3.41Å; Q646-K650 PolarHBondContact O-N 2.9Å
647R55.7Low51.3Low135 Ų135133.6 Ų133.651%0.50967%0.665SS.*Hα-helixtrans-62-42.5171-75.8-172.7-94.1-171.2-4.4111.2I642 T643 V644 R651I642-R647 HydrophobicContact CG2-CG 4Å; T643-R647 PolarHBondContact O-N 3.26Å; T643-R647 VanDerWaalsContact O-N 3.12Å; V644-R647 PolarHBondContact O-N 3.11Å; R647-R651 PolarHBondContact O-N 3.32Å
648L50.1Low52.3Low106 Ų106127.2 Ų127.256%0.55565%0.651SS**Hα-helixtrans-66.4-44.7178.2-148.496.5000112.3V644 R645 Q646 K650 R651 L652V644-L648 PolarHBondContact O-N 2.67Å; R645-L648 PolarHBondContact O-N 2.71Å; Q646-L648 VanDerWaalsContact C-N 3.33Å; L648-K650 PolarHBondContact O-N 3.46Å; L648-R651 PolarHBondContact O-N 3.25Å; L648-L652 HydrophobicContact CD2-CD1 4.07Å; L648-L652 HydrophobicContact CG-CD1 4.32Å; L648-L652 WeakPolarHBondContact O-CG 3.47Å; L648-L652 PolarHBondContact O-N 3.42Å
649A64.7Low53.4Low30 Ų30126.6 Ų126.625%0.24864%0.638CS.*Hα-helixtrans-59-47.3176.700000111.3R645 R651 L652 G653 I654R645-A649 WeakPolarHBondContact O-CB 3.14Å; R645-A649 PolarHBondContact O-N 2.81Å; A649-R651 VanDerWaalsContact C-N 3.33Å; A649-R651 PolarHBondContact O-N 3.26Å; A649-L652 CarbonylContact O-C 3.53Å; A649-L652 PolarHBondContact O-N 3.35Å; A649-L652 VanDerWaalsContact O-N 3.14Å; A649-G653 PolarHBondContact O-N 2.79Å; A649-I654 CarbonylContact C-O 3.56Å; A649-I654 HydrophobicContact CB-CB 4.34Å; A649-I654 PolarHBondContact O-N 2.77Å
650K65.5Low54.4Low161 Ų161122.4 Ų122.470%0.763%0.626SS**Hα-helixtrans-59.8-40.2176.4-168.1178.9-179.2-1750112.4Q646 L648 L652 G653Q646-K650 WeakPolarHBondContact O-CB 3.41Å; Q646-K650 PolarHBondContact O-N 2.9Å; L648-K650 PolarHBondContact O-N 3.46Å; K650-L652 VanDerWaalsContact C-N 3.32Å; K650-G653 PolarHBondContact O-N 3.45Å
651R56.9Low55.5Low191 Ų191124 Ų12472%0.72162%0.621SS**Hα-helixtrans-70.3-28.3178.7-137.4177-166.2175.66112.9E145 R647 L648 A649E145-R651 IonicContact OE1-CZ 2.68Å; E145-R651 IonicContact OE1-NH2 3.62Å; E145-R651 PolarHBondContact OE1-NH2 3.42Å; E145-R651 IonicContact OE2-NH2 3.83Å; E145-R651 PolarHBondContact OE2-NH2 3.3Å; R647-R651 PolarHBondContact O-N 3.32Å; L648-R651 PolarHBondContact O-N 3.25Å; A649-R651 VanDerWaalsContact C-N 3.33Å; A649-R651 PolarHBondContact O-N 3.26Å
652L62.8Low56.7Low114 Ų114121.2 Ų121.260%0.59760%0.603SS**Hα-helixtrans-88.5-2.9176.3-66.5171.8000113.4L648 A649 K650 I654L648-L652 HydrophobicContact CD2-CD1 4.07Å; L648-L652 HydrophobicContact CG-CD1 4.32Å; L648-L652 WeakPolarHBondContact O-CG 3.47Å; L648-L652 PolarHBondContact O-N 3.42Å; A649-L652 CarbonylContact O-C 3.53Å; A649-L652 PolarHBondContact O-N 3.35Å; A649-L652 VanDerWaalsContact O-N 3.14Å; K650-L652 VanDerWaalsContact C-N 3.32Å; L652-I654 VanDerWaalsContact C-N 3.32Å; L652-I654 HydrophobicContact CB-CD1 3.73Å; L652-I654 HydrophobicContact CB-CG1 3.86Å; L652-I654 HydrophobicContact CD1-CD1 4.03Å
653G57.6Low57Low73 Ų73123 Ų12375%0.75361%0.61SS**THydrogen-bonded Turntrans68.827.4-175.900000113.9A649 K650A649-G653 PolarHBondContact O-N 2.79Å; K650-G653 PolarHBondContact O-N 3.45Å
654I53.7Low57Low173 Ų173127.3 Ų127.389%0.88762%0.624SS**  trans-98.70-179-57.5173.7000110.6A649 L652A649-I654 CarbonylContact C-O 3.56Å; A649-I654 HydrophobicContact CB-CB 4.34Å; A649-I654 PolarHBondContact O-N 2.77Å; L652-I654 VanDerWaalsContact C-N 3.32Å; L652-I654 HydrophobicContact CB-CD1 3.73Å; L652-I654 HydrophobicContact CB-CG1 3.86Å; L652-I654 HydrophobicContact CD1-CD1 4.03Å

Retrieved 654 of 654 residues in 1995.3 ms (Link to these results)

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