G4V8L2_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession G4V8L2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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
1M50.4Low77.6Confident183 Ų18383.6 Ų83.690%0.90145%0.454SS*.  0142.30-88.8175.9177.400108.9T5 I6M1-T5 VanDerWaalsContact CB-OG1 3.29Å; M1-T5 WeakPolarHBondContact CB-OG1 3.34Å; M1-I6 HydrophobicContact CB-CD1 4.38Å; M1-I6 HydrophobicContact CB-CG1 4.03Å
2T64.5Low79.2Confident82 Ų8281.7 Ų81.750%0.50346%0.458SS..  trans-80.4160.4174.752.40000109.7S4 T5 I6T2-S4 PolarHBondContact O-N 2.95Å; T2-S4 VanDerWaalsContact O-N 3.14Å; T2-S4 PolarHBondContact OG1-OG 3.33Å; T2-T5 PolarHBondContact N-OG1 2.84Å; T2-T5 PolarHBondContact O-N 3.29Å; T2-T5 VanDerWaalsContact O-N 3.08Å; T2-T5 PolarHBondContact O-OG1 2.99Å; T2-T5 PolarHBondContact OG1-OG1 2.96Å; T2-I6 PolarHBondContact O-N 3.04Å
3L68.2Low80.6Confident160 Ų16077.6 Ų77.684%0.83843%0.434SS*.Hα-helixtrans-54.4-31174.7-77.9161000112.7S7L3-S7 PolarHBondContact O-N 2.65Å
4S74.8Confident81.8Confident69 Ų6973.7 Ų73.748%0.48341%0.41SS..Hα-helixtrans-65.5-4817566.40000112.1T2 I6 S7 D8T2-S4 PolarHBondContact O-N 2.95Å; T2-S4 VanDerWaalsContact O-N 3.14Å; T2-S4 PolarHBondContact OG1-OG 3.33Å; S4-I6 VanDerWaalsContact C-N 3.29Å; S4-I6 PolarHBondContact O-N 3.1Å; S4-S7 WeakPolarHBondContact O-CB 3.37Å; S4-S7 PolarHBondContact O-N 3.47Å; S4-S7 VanDerWaalsContact O-N 3.13Å; S4-D8 VanDerWaalsContact O-CG 3.26Å; S4-D8 PolarHBondContact O-N 3.1Å
5T73.3Confident82.9Confident56 Ų5675.7 Ų75.734%0.34442%0.415SS..Hα-helixtrans-65.8-32.6-177.153.10000112.5M1 T2 E9M1-T5 VanDerWaalsContact CB-OG1 3.29Å; M1-T5 WeakPolarHBondContact CB-OG1 3.34Å; T2-T5 PolarHBondContact N-OG1 2.84Å; T2-T5 PolarHBondContact O-N 3.29Å; T2-T5 VanDerWaalsContact O-N 3.08Å; T2-T5 PolarHBondContact O-OG1 2.99Å; T2-T5 PolarHBondContact OG1-OG1 2.96Å; T5-E9 PolarHBondContact O-N 3.35Å
6I72.1Confident83.8Confident66 Ų6677 Ų7734%0.33842%0.417SS..Hα-helixtrans-70.3-38.8175.8-63172.8000110.6M1 T2 S4 D8 A10 I39M1-I6 HydrophobicContact CB-CD1 4.38Å; M1-I6 HydrophobicContact CB-CG1 4.03Å; T2-I6 PolarHBondContact O-N 3.04Å; S4-I6 VanDerWaalsContact C-N 3.29Å; S4-I6 PolarHBondContact O-N 3.1Å; I6-D8 VanDerWaalsContact C-N 3.32Å; I6-A10 PolarHBondContact O-N 3.2Å; I6-I39 HydrophobicContact CG2-CG2 3.75Å
7S76.9Confident84.7Confident41 Ų4172.5 Ų72.529%0.28739%0.393SS..Hα-helixtrans-65.3-36.9176.3-168.70000112L3 S4 E11L3-S7 PolarHBondContact O-N 2.65Å; S4-S7 WeakPolarHBondContact O-CB 3.37Å; S4-S7 PolarHBondContact O-N 3.47Å; S4-S7 VanDerWaalsContact O-N 3.13Å; S7-E11 WeakPolarHBondContact O-CB 3.5Å; S7-E11 VanDerWaalsContact O-CG 3.28Å; S7-E11 WeakPolarHBondContact O-CG 3.43Å; S7-E11 PolarHBondContact O-N 3.19Å
8D88.8Confident85.4Confident107 Ų10771.2 Ų71.257%0.57239%0.385SS*.Hα-helixtrans-70-36.9-178.1-64.1-26.3000112.1S4 I6 A12S4-D8 VanDerWaalsContact O-CG 3.26Å; S4-D8 PolarHBondContact O-N 3.1Å; I6-D8 VanDerWaalsContact C-N 3.32Å; D8-A12 WeakPolarHBondContact O-CB 3.38Å; D8-A12 PolarHBondContact O-N 3.44Å
9E94Very high86.1Confident93 Ų9374.7 Ų74.744%0.43540%0.397SS..Hα-helixtrans-68.2-48.6179.6-173.1178.2-176.200112.5T5 E11 A12 L13 I39T5-E9 PolarHBondContact O-N 3.35Å; E9-E11 VanDerWaalsContact C-N 3.29Å; E9-E11 PolarHBondContact O-N 3.47Å; E9-A12 PolarHBondContact O-N 3.45Å; E9-L13 PolarHBondContact O-N 2.93Å; E9-L13 VanDerWaalsContact O-N 3.09Å; E9-I39 HydrophobicContact CB-CD1 4.38Å; E9-I39 HydrophobicContact CG-CD1 3.71Å
10A95.1Very high86.7Confident0 Ų073.3 Ų73.30%039%0.387CS..Hα-helixtrans-63.3-36.7179.400000112.2I6 K14 I39 R40 Y45I6-A10 PolarHBondContact O-N 3.2Å; A10-K14 PolarHBondContact O-N 2.71Å; A10-K14 VanDerWaalsContact O-N 3.13Å; A10-I39 HydrophobicContact CB-CB 4.06Å; A10-I39 HydrophobicContact CB-CG2 3.85Å; A10-R40 HydrophobicContact CB-CB 4.13Å; A10-Y45 HydrophobicContact CB-CE2 4.03Å
11E95.8Very high87.1Confident63 Ų6371.8 Ų71.829%0.29438%0.377SS..Hα-helixtrans-69-38175.6-72.5-67.8161.600111.9S7 E9 K14 E15 R40 Y45S7-E11 WeakPolarHBondContact O-CB 3.5Å; S7-E11 VanDerWaalsContact O-CG 3.28Å; S7-E11 WeakPolarHBondContact O-CG 3.43Å; S7-E11 PolarHBondContact O-N 3.19Å; E9-E11 VanDerWaalsContact C-N 3.29Å; E9-E11 PolarHBondContact O-N 3.47Å; E11-K14 PolarHBondContact O-N 3.48Å; E11-K14 WeakPolarHBondContact OE2-CE 3.43Å; E11-K14 IonicContact OE2-NZ 3.29Å; E11-K14 PolarHBondContact OE2-NZ 3.15Å; E11-E15 WeakPolarHBondContact O-CG 3.3Å; E11-E15 PolarHBondContact O-N 3.43Å; E11-R40 IonicContact OE1-CZ 2.88Å; E11-R40 IonicContact OE1-NH2 3.21Å; E11-R40 PolarHBondContact OE1-NH2 3.47Å; E11-Y45 VanDerWaalsContact CD-OH 3.28Å; E11-Y45 PolarHBondContact OE1-OH 3.28Å
12A96.4Very high89.3Confident60 Ų6071.6 Ų71.650%0.49637%0.372SS..Hα-helixtrans-61.6-44.8175.400000112.1D8 E9 K14 E15 E16D8-A12 WeakPolarHBondContact O-CB 3.38Å; D8-A12 PolarHBondContact O-N 3.44Å; E9-A12 PolarHBondContact O-N 3.45Å; A12-K14 VanDerWaalsContact C-N 3.34Å; A12-K14 PolarHBondContact O-N 3.04Å; A12-E15 PolarHBondContact O-N 3.32Å; A12-E16 PolarHBondContact O-N 3.46Å
13L97.9Very high90.7Very high29 Ų2972.4 Ų72.415%0.15237%0.373CS..Hα-helixtrans-62.5-39.7175.4-73.8164.7000112.2E9 E16 A17 K35 A36 I39E9-L13 PolarHBondContact O-N 2.93Å; E9-L13 VanDerWaalsContact O-N 3.09Å; L13-E16 PolarHBondContact O-N 2.94Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.21Å; L13-K35 HydrophobicContact CD1-CB 3.93Å; L13-K35 HydrophobicContact CD2-CB 4.23Å; L13-A36 HydrophobicContact CB-CB 3.81Å; L13-I39 HydrophobicContact CD1-CD1 3.54Å
14K97.4Very high91.7Very high23 Ų2366.4 Ų66.410%0.135%0.35CS..Hα-helixtrans-63.8-40174.5-179.3-136.269.4-169.90111.8A10 E11 A12 A17 N18 Y33 A36 Y45A10-K14 PolarHBondContact O-N 2.71Å; A10-K14 VanDerWaalsContact O-N 3.13Å; E11-K14 PolarHBondContact O-N 3.48Å; E11-K14 WeakPolarHBondContact OE2-CE 3.43Å; E11-K14 IonicContact OE2-NZ 3.29Å; E11-K14 PolarHBondContact OE2-NZ 3.15Å; A12-K14 VanDerWaalsContact C-N 3.34Å; A12-K14 PolarHBondContact O-N 3.04Å; K14-A17 PolarHBondContact O-N 3.15Å; K14-N18 PolarHBondContact O-N 3.18Å; K14-N18 PolarHBondContact O-ND2 3.19Å; K14-Y33 HydrophobicContact CG-CD1 4.49Å; K14-Y33 HydrophobicContact CG-CE1 4.16Å; K14-A36 HydrophobicContact CB-CB 4.45Å; K14-Y45 HydrophobicContact CB-CD1 4.22Å; K14-Y45 HydrophobicContact CB-CE1 4.03Å; K14-Y45 HydrophobicContact CD-CD1 3.86Å; K14-Y45 HydrophobicContact CD-CE1 3.62Å; K14-Y45 HydrophobicContact CG-CD1 3.78Å; K14-Y45 HydrophobicContact CG-CE1 3.87Å
15E97.7Very high92.5Very high104 Ų10466.2 Ų66.249%0.48634%0.343SS..Hα-helixtrans-69.5-36175.7-67.7-55.7158.700112.8E11 A12 N18 K19E11-E15 WeakPolarHBondContact O-CG 3.3Å; E11-E15 PolarHBondContact O-N 3.43Å; A12-E15 PolarHBondContact O-N 3.32Å; E15-N18 WeakPolarHBondContact O-CB 3.45Å; E15-N18 PolarHBondContact O-N 2.98Å; E15-N18 PolarHBondContact OE2-ND2 3.43Å; E15-K19 PolarHBondContact O-N 3.48Å
16E97.9Very high93.5Very high96 Ų9667.1 Ų67.145%0.44934%0.341SS..Hα-helixtrans-61.7-46.6170.7-177.6176.3-155.600111.2A12 L13 N18 K19 F20A12-E16 PolarHBondContact O-N 3.46Å; L13-E16 PolarHBondContact O-N 2.94Å; E16-N18 VanDerWaalsContact C-N 3.34Å; E16-N18 PolarHBondContact O-N 3.21Å; E16-K19 WeakPolarHBondContact O-CB 3.41Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-F20 HydrophobicContact CG-CD2 3.98Å; E16-F20 HydrophobicContact CG-CE2 3.47Å; E16-F20 VanDerWaalsContact CG-CE2 3.47Å; E16-F20 HydrophobicContact CG-CZ 4.17Å; E16-F20 WeakPolarHBondContact O-CD2 3.29Å; E16-F20 PolarHBondContact O-N 2.88Å
17A98.2Very high94.5Very high0 Ų070 Ų700%035%0.353CS..Hα-helixtrans-59.7-4217500000112.5L13 K14 K19 F20 F21 A29 A32 Y33L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.21Å; K14-A17 PolarHBondContact O-N 3.15Å; A17-K19 VanDerWaalsContact C-N 3.26Å; A17-K19 PolarHBondContact O-N 3.27Å; A17-F20 PolarHBondContact O-N 3.21Å; A17-F21 WeakPolarHBondContact O-CB 3.46Å; A17-F21 PolarHBondContact O-N 2.84Å; A17-A29 WeakPolarHBondContact O-CB 3.37Å; A17-A32 HydrophobicContact CB-CB 3.59Å; A17-Y33 HydrophobicContact CB-CD1 3.4Å; A17-Y33 VanDerWaalsContact CB-CD1 3.4Å; A17-Y33 HydrophobicContact CB-CD2 3.83Å; A17-Y33 HydrophobicContact CB-CE1 3.37Å; A17-Y33 HydrophobicContact CB-CE2 3.8Å; A17-Y33 HydrophobicContact CB-CG 3.61Å
18N98.1Very high95.5Very high49 Ų4973 Ų7326%0.26236%0.361SS..Hα-helixtrans-59.3-38.1174.2-73.3-25.4000111.7K14 E15 E16 K22 Y33 N48K14-N18 PolarHBondContact O-N 3.18Å; K14-N18 PolarHBondContact O-ND2 3.19Å; E15-N18 WeakPolarHBondContact O-CB 3.45Å; E15-N18 PolarHBondContact O-N 2.98Å; E15-N18 PolarHBondContact OE2-ND2 3.43Å; E16-N18 VanDerWaalsContact C-N 3.34Å; E16-N18 PolarHBondContact O-N 3.21Å; N18-K22 WeakPolarHBondContact O-CB 3.34Å; N18-K22 PolarHBondContact O-N 3.06Å; N18-Y33 PolarHBondContact OD1-OH 2.97Å; N18-N48 PolarHBondContact OD1-ND2 2.94Å
19K98Very high95.9Very high138 Ų13868 Ų6860%0.633%0.334SS*.Hα-helixtrans-66.9-51.1177.2-175.4-175.1173-169.10110.9E15 E16 A17 F21 K22 D23E15-K19 PolarHBondContact O-N 3.48Å; E16-K19 WeakPolarHBondContact O-CB 3.41Å; E16-K19 PolarHBondContact O-N 2.98Å; A17-K19 VanDerWaalsContact C-N 3.26Å; A17-K19 PolarHBondContact O-N 3.27Å; K19-F21 VanDerWaalsContact C-N 3.28Å; K19-F21 PolarHBondContact O-N 2.83Å; K19-K22 WeakPolarHBondContact O-CB 3.3Å; K19-K22 PolarHBondContact O-N 3.2Å; K19-K22 VanDerWaalsContact O-N 3.1Å; K19-D23 VanDerWaalsContact O-CG 3.29Å; K19-D23 PolarHBondContact O-N 2.83Å
20F97.9Very high96.1Very high47 Ų4764.3 Ų64.321%0.20632%0.317CS..Hα-helixtrans-55.9-44.3175.1-71.1-50.2000112E16 A17 K22 D23 G24 D25 K28 A29 A32E16-F20 HydrophobicContact CG-CD2 3.98Å; E16-F20 HydrophobicContact CG-CE2 3.47Å; E16-F20 VanDerWaalsContact CG-CE2 3.47Å; E16-F20 HydrophobicContact CG-CZ 4.17Å; E16-F20 WeakPolarHBondContact O-CD2 3.29Å; E16-F20 PolarHBondContact O-N 2.88Å; A17-F20 PolarHBondContact O-N 3.21Å; F20-K22 VanDerWaalsContact C-N 3.33Å; F20-K22 PolarHBondContact O-N 3.04Å; F20-D23 CarbonylContact O-C 3.53Å; F20-D23 PolarHBondContact O-N 2.94Å; F20-D23 VanDerWaalsContact O-N 3.15Å; F20-G24 PolarHBondContact O-N 3.1Å; F20-G24 VanDerWaalsContact O-N 3.09Å; F20-D25 HydrophobicContact CB-CB 4.12Å; F20-D25 HydrophobicContact CD1-CB 4.19Å; F20-D25 PolarHBondContact O-N 2.86Å; F20-K28 HydrophobicContact CB-CB 4.09Å; F20-K28 HydrophobicContact CD1-CB 3.88Å; F20-K28 HydrophobicContact CD1-CD 3.77Å; F20-K28 HydrophobicContact CD2-CB 3.72Å; F20-K28 HydrophobicContact CE1-CB 4.22Å; F20-K28 HydrophobicContact CE1-CD 3.59Å; F20-K28 HydrophobicContact CE2-CB 4.05Å; F20-K28 HydrophobicContact CG-CB 3.64Å; F20-K28 HydrophobicContact CG-CD 4.4Å; F20-K28 HydrophobicContact CZ-CB 4.31Å; F20-K28 HydrophobicContact CZ-CD 4.05Å; F20-A29 HydrophobicContact CB-CB 3.94Å; F20-A32 HydrophobicContact CD2-CB 4.34Å
21F96.6Very high96.2Very high41 Ų4168.1 Ų68.118%0.1834%0.337CS..Hα-helixtrans-60.1-42.8177.2-173.9-81.7000112.1A17 K19 D23 G24 Y26 A29 L51 A52 R55A17-F21 WeakPolarHBondContact O-CB 3.46Å; A17-F21 PolarHBondContact O-N 2.84Å; K19-F21 VanDerWaalsContact C-N 3.28Å; K19-F21 PolarHBondContact O-N 2.83Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 3.41Å; F21-G24 PolarHBondContact O-N 3.15Å; F21-Y26 AromaticContact CD2-CD1 3.73Å; F21-Y26 HydrophobicContact CD2-CD1 3.73Å; F21-Y26 HydrophobicContact CD2-CE1 4.02Å; F21-Y26 HydrophobicContact CE1-CE1 4.38Å; F21-Y26 AromaticContact CE2-CD1 3.8Å; F21-Y26 HydrophobicContact CE2-CD1 3.8Å; F21-Y26 AromaticContact CE2-CE1 3.84Å; F21-Y26 HydrophobicContact CE2-CE1 3.84Å; F21-Y26 HydrophobicContact CG-CD1 4.33Å; F21-Y26 HydrophobicContact CG-CE1 4.36Å; F21-Y26 HydrophobicContact CZ-CD1 4.44Å; F21-Y26 HydrophobicContact CZ-CE1 4.01Å; F21-A29 HydrophobicContact CB-CB 3.91Å; F21-L51 HydrophobicContact CE1-CD2 3.91Å; F21-L51 HydrophobicContact CE2-CB 4.38Å; F21-L51 HydrophobicContact CE2-CD2 3.97Å; F21-L51 HydrophobicContact CE2-CG 3.79Å; F21-L51 HydrophobicContact CZ-CD2 3.38Å; F21-L51 HydrophobicContact CZ-CG 3.54Å; F21-A52 HydrophobicContact CD2-CB 3.99Å; F21-A52 HydrophobicContact CE2-CB 4.14Å; F21-R55 HydrophobicContact CE2-CG 3.85Å; F21-R55 HydrophobicContact CZ-CG 3.87Å
22K95.6Very high96.4Very high179 Ų17965.2 Ų65.278%0.77832%0.324SS*.Hα-helixtrans-65.8-33.6177.8-174.3-177.1176.5-172.40112.1N18 K19 F20 G24N18-K22 WeakPolarHBondContact O-CB 3.34Å; N18-K22 PolarHBondContact O-N 3.06Å; K19-K22 WeakPolarHBondContact O-CB 3.3Å; K19-K22 PolarHBondContact O-N 3.2Å; K19-K22 VanDerWaalsContact O-N 3.1Å; F20-K22 VanDerWaalsContact C-N 3.33Å; F20-K22 PolarHBondContact O-N 3.04Å; K22-G24 PolarHBondContact O-N 3.05Å
23D93.5Very high96.5Very high100 Ų10062.6 Ų62.654%0.53530%0.302SS..Hα-helixtrans-79.6-6.4178.2-63.6-17.5000112.3K19 F20 F21 D25K19-D23 VanDerWaalsContact O-CG 3.29Å; K19-D23 PolarHBondContact O-N 2.83Å; F20-D23 CarbonylContact O-C 3.53Å; F20-D23 PolarHBondContact O-N 2.94Å; F20-D23 VanDerWaalsContact O-N 3.15Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 3.41Å; D23-D25 VanDerWaalsContact C-N 3.34Å
24G89.6Confident96.5Very high34 Ų3462.7 Ų62.735%0.35130%0.304SS..THydrogen-bonded Turntrans87.1-0.1-179.200000114.3F20 F21 K22 Y26F20-G24 PolarHBondContact O-N 3.1Å; F20-G24 VanDerWaalsContact O-N 3.09Å; F21-G24 PolarHBondContact O-N 3.15Å; K22-G24 PolarHBondContact O-N 3.05Å; G24-Y26 WeakPolarHBondContact O-CD2 3.49Å; G24-Y26 PolarHBondContact O-N 2.81Å
25D92.9Very high96.5Very high65 Ų6565.9 Ų65.935%0.34832%0.318SS..  trans-78.565.4177.7-79.8-12.5000110.6F20 D23 E27 K28 A29F20-D25 HydrophobicContact CB-CB 4.12Å; F20-D25 HydrophobicContact CD1-CB 4.19Å; F20-D25 PolarHBondContact O-N 2.86Å; D23-D25 VanDerWaalsContact C-N 3.34Å; D25-E27 VanDerWaalsContact C-N 3.33Å; D25-E27 PolarHBondContact O-N 3.04Å; D25-K28 HydrophobicContact CB-CB 4.31Å; D25-K28 HydrophobicContact CB-CD 4.25Å; D25-K28 HydrophobicContact CB-CG 4.49Å; D25-K28 PolarHBondContact O-N 2.72Å; D25-K28 IonicContact OD2-NZ 3.6Å; D25-K28 PolarHBondContact OD2-NZ 3.46Å; D25-A29 PolarHBondContact O-N 3.37Å
26Y94.3Very high96.5Very high74 Ų7461 Ų6129%0.2929%0.294SS..Hα-helixtrans-62.5-35.2-171.7-55.2-56.2000113.9F21 G24 A29 I30 R55 T56F21-Y26 AromaticContact CD2-CD1 3.73Å; F21-Y26 HydrophobicContact CD2-CD1 3.73Å; F21-Y26 HydrophobicContact CD2-CE1 4.02Å; F21-Y26 HydrophobicContact CE1-CE1 4.38Å; F21-Y26 AromaticContact CE2-CD1 3.8Å; F21-Y26 HydrophobicContact CE2-CD1 3.8Å; F21-Y26 AromaticContact CE2-CE1 3.84Å; F21-Y26 HydrophobicContact CE2-CE1 3.84Å; F21-Y26 HydrophobicContact CG-CD1 4.33Å; F21-Y26 HydrophobicContact CG-CE1 4.36Å; F21-Y26 HydrophobicContact CZ-CD1 4.44Å; F21-Y26 HydrophobicContact CZ-CE1 4.01Å; G24-Y26 WeakPolarHBondContact O-CD2 3.49Å; G24-Y26 PolarHBondContact O-N 2.81Å; Y26-A29 WeakPolarHBondContact O-CB 3.4Å; Y26-A29 PolarHBondContact O-N 3Å; Y26-I30 VanDerWaalsContact O-CG1 3.29Å; Y26-I30 WeakPolarHBondContact O-CG1 3.24Å; Y26-I30 PolarHBondContact O-N 3.21Å; Y26-R55 HydrophobicContact CD1-CB 3.85Å; Y26-R55 HydrophobicContact CD1-CG 4.1Å; Y26-R55 HydrophobicContact CD2-CB 3.8Å; Y26-R55 HydrophobicContact CE1-CB 3.92Å; Y26-R55 HydrophobicContact CE1-CG 3.79Å; Y26-R55 HydrophobicContact CE2-CB 3.87Å; Y26-R55 HydrophobicContact CE2-CG 4.39Å; Y26-R55 HydrophobicContact CG-CB 3.8Å; Y26-T56 HydrophobicContact CG-CG2 4.41Å
27E93.1Very high96.5Very high128 Ų12857.2 Ų57.260%0.59828%0.277SS*.Hα-helixtrans-63-44.7176.8-67.4-59.3155.400112.1D25 A29 I30 D31D25-E27 VanDerWaalsContact C-N 3.33Å; D25-E27 PolarHBondContact O-N 3.04Å; E27-A29 VanDerWaalsContact C-N 3.3Å; E27-A29 PolarHBondContact O-N 2.68Å; E27-I30 PolarHBondContact O-N 3.28Å; E27-D31 PolarHBondContact O-N 3.43Å
28K95.9Very high96.5Very high104 Ų10464.4 Ų64.445%0.45231%0.311SS..Hα-helixtrans-66.8-35.1174.4-63.7-178.6-165.5148.60111.6F20 D25 D31 A32F20-K28 HydrophobicContact CB-CB 4.09Å; F20-K28 HydrophobicContact CD1-CB 3.88Å; F20-K28 HydrophobicContact CD1-CD 3.77Å; F20-K28 HydrophobicContact CD2-CB 3.72Å; F20-K28 HydrophobicContact CE1-CB 4.22Å; F20-K28 HydrophobicContact CE1-CD 3.59Å; F20-K28 HydrophobicContact CE2-CB 4.05Å; F20-K28 HydrophobicContact CG-CB 3.64Å; F20-K28 HydrophobicContact CG-CD 4.4Å; F20-K28 HydrophobicContact CZ-CB 4.31Å; F20-K28 HydrophobicContact CZ-CD 4.05Å; D25-K28 HydrophobicContact CB-CB 4.31Å; D25-K28 HydrophobicContact CB-CD 4.25Å; D25-K28 HydrophobicContact CB-CG 4.49Å; D25-K28 PolarHBondContact O-N 2.72Å; D25-K28 IonicContact OD2-NZ 3.6Å; D25-K28 PolarHBondContact OD2-NZ 3.46Å; K28-D31 PolarHBondContact O-N 3.5Å; K28-A32 WeakPolarHBondContact O-CB 3.42Å; K28-A32 PolarHBondContact O-N 3.29Å
29A98Very high96.4Very high0 Ų064.9 Ų64.90%031%0.313CS..Hα-helixtrans-62.4-44.1173.900000111.1A17 F20 F21 D25 Y26 E27 A32 Y33A17-A29 WeakPolarHBondContact O-CB 3.37Å; F20-A29 HydrophobicContact CB-CB 3.94Å; F21-A29 HydrophobicContact CB-CB 3.91Å; D25-A29 PolarHBondContact O-N 3.37Å; Y26-A29 WeakPolarHBondContact O-CB 3.4Å; Y26-A29 PolarHBondContact O-N 3Å; E27-A29 VanDerWaalsContact C-N 3.3Å; E27-A29 PolarHBondContact O-N 2.68Å; A29-A32 PolarHBondContact O-N 3.02Å; A29-Y33 HydrophobicContact CB-CD2 4.41Å; A29-Y33 HydrophobicContact CB-CE2 4.12Å; A29-Y33 WeakPolarHBondContact O-CB 3.46Å; A29-Y33 WeakPolarHBondContact O-CD2 3.27Å; A29-Y33 PolarHBondContact O-N 3.37Å
30I98.3Very high96.2Very high16 Ų1662.5 Ų62.58%0.08230%0.3CS..Hα-helixtrans-59.8-47.7176.2-71.3162.4000110.8Y26 E27 Y33 T34 A52 Y53 T56Y26-I30 VanDerWaalsContact O-CG1 3.29Å; Y26-I30 WeakPolarHBondContact O-CG1 3.24Å; Y26-I30 PolarHBondContact O-N 3.21Å; E27-I30 PolarHBondContact O-N 3.28Å; I30-Y33 PolarHBondContact O-N 2.97Å; I30-T34 WeakPolarHBondContact O-CB 3.3Å; I30-T34 PolarHBondContact O-N 2.9Å; I30-T34 PolarHBondContact O-OG1 3.28Å; I30-A52 HydrophobicContact CD1-CB 4.23Å; I30-A52 HydrophobicContact CG1-CB 3.55Å; I30-Y53 HydrophobicContact CB-CE1 4.48Å; I30-Y53 HydrophobicContact CD1-CD1 3.68Å; I30-Y53 HydrophobicContact CD1-CE1 3.88Å; I30-Y53 HydrophobicContact CG1-CD1 4.09Å; I30-Y53 HydrophobicContact CG1-CE1 4.06Å; I30-Y53 HydrophobicContact CG2-CD1 4.41Å; I30-Y53 HydrophobicContact CG2-CE1 3.56Å; I30-T56 HydrophobicContact CD1-CG2 3.83Å
31D97.9Very high96.1Very high80 Ų8064.5 Ų64.543%0.42831%0.31SS..Hα-helixtrans-59.7-49177.417559.9000111.7E27 K28 Y33 T34 K35E27-D31 PolarHBondContact O-N 3.43Å; K28-D31 PolarHBondContact O-N 3.5Å; D31-Y33 PolarHBondContact O-N 3.21Å; D31-T34 WeakPolarHBondContact O-CB 3.39Å; D31-T34 PolarHBondContact O-N 3.45Å; D31-T34 VanDerWaalsContact O-N 3.17Å; D31-K35 WeakPolarHBondContact O-CG 3.49Å; D31-K35 PolarHBondContact O-N 3.33Å; D31-K35 WeakPolarHBondContact OD1-CE 3.31Å; D31-K35 IonicContact OD1-NZ 3.91Å; D31-K35 PolarHBondContact OD1-NZ 3.02Å; D31-K35 WeakPolarHBondContact OD2-CE 3.31Å; D31-K35 IonicContact OD2-NZ 2.79Å; D31-K35 PolarHBondContact OD2-NZ 3.31Å
32A98.3Very high96.2Very high2 Ų263.8 Ų63.82%0.01731%0.309CS..Hα-helixtrans-65.6-40.4179.500000112.8A17 F20 K28 A29 T34 K35 A36A17-A32 HydrophobicContact CB-CB 3.59Å; F20-A32 HydrophobicContact CD2-CB 4.34Å; K28-A32 WeakPolarHBondContact O-CB 3.42Å; K28-A32 PolarHBondContact O-N 3.29Å; A29-A32 PolarHBondContact O-N 3.02Å; A32-T34 VanDerWaalsContact C-N 3.32Å; A32-T34 PolarHBondContact O-N 3.32Å; A32-K35 PolarHBondContact O-N 2.92Å; A32-A36 PolarHBondContact O-N 3.35Å
33Y98.5Very high96.3Very high5 Ų555.7 Ų55.72%0.0228%0.275CS..Hα-helixtrans-64.1-37.8172.1-72.8-53.9000112K14 A17 N18 A29 I30 D31 A36 I37 N48 R49 A52K14-Y33 HydrophobicContact CG-CD1 4.49Å; K14-Y33 HydrophobicContact CG-CE1 4.16Å; A17-Y33 HydrophobicContact CB-CD1 3.4Å; A17-Y33 VanDerWaalsContact CB-CD1 3.4Å; A17-Y33 HydrophobicContact CB-CD2 3.83Å; A17-Y33 HydrophobicContact CB-CE1 3.37Å; A17-Y33 HydrophobicContact CB-CE2 3.8Å; A17-Y33 HydrophobicContact CB-CG 3.61Å; N18-Y33 PolarHBondContact OD1-OH 2.97Å; A29-Y33 HydrophobicContact CB-CD2 4.41Å; A29-Y33 HydrophobicContact CB-CE2 4.12Å; A29-Y33 WeakPolarHBondContact O-CB 3.46Å; A29-Y33 WeakPolarHBondContact O-CD2 3.27Å; A29-Y33 PolarHBondContact O-N 3.37Å; I30-Y33 PolarHBondContact O-N 2.97Å; D31-Y33 PolarHBondContact O-N 3.21Å; Y33-A36 WeakPolarHBondContact O-CB 3.44Å; Y33-A36 PolarHBondContact O-N 3.15Å; Y33-I37 WeakPolarHBondContact O-CB 3.47Å; Y33-I37 WeakPolarHBondContact O-CD1 3.44Å; Y33-I37 VanDerWaalsContact O-CG1 3.23Å; Y33-I37 WeakPolarHBondContact O-CG1 3.49Å; Y33-I37 PolarHBondContact O-N 3.3Å; Y33-N48 HydrophobicContact CD1-CB 4.14Å; Y33-N48 HydrophobicContact CE1-CB 3.53Å; Y33-N48 HydrophobicContact CE2-CB 4.14Å; Y33-R49 HydrophobicContact CD2-CB 4.04Å; Y33-R49 HydrophobicContact CD2-CG 4.4Å; Y33-R49 HydrophobicContact CG-CB 4.05Å; Y33-A52 HydrophobicContact CE2-CB 4.47Å
34T98.2Very high96.5Very high32 Ų3253.6 Ų53.620%0.19627%0.266CS..Hα-helixtrans-61.3-47.8178.2-62.40000110.7I30 D31 A32 A36 I37 E38 R49I30-T34 WeakPolarHBondContact O-CB 3.3Å; I30-T34 PolarHBondContact O-N 2.9Å; I30-T34 PolarHBondContact O-OG1 3.28Å; D31-T34 WeakPolarHBondContact O-CB 3.39Å; D31-T34 PolarHBondContact O-N 3.45Å; D31-T34 VanDerWaalsContact O-N 3.17Å; A32-T34 VanDerWaalsContact C-N 3.32Å; A32-T34 PolarHBondContact O-N 3.32Å; T34-A36 VanDerWaalsContact C-N 3.32Å; T34-A36 PolarHBondContact O-N 2.88Å; T34-I37 WeakPolarHBondContact O-CB 3.38Å; T34-I37 PolarHBondContact O-N 3.48Å; T34-I37 VanDerWaalsContact O-N 3.13Å; T34-E38 WeakPolarHBondContact O-CG 3.23Å; T34-E38 PolarHBondContact O-N 2.97Å; T34-R49 WeakPolarHBondContact OG1-CD 3.35Å; T34-R49 PolarHBondContact OG1-NH1 3.28Å
35K98.1Very high96.9Very high90 Ų9052 Ų5239%0.39125%0.249SC..Hα-helixtrans-58.5-41.6173.5-68.2166.5179164.10112.4L13 D31 A32 I37 E38 I39L13-K35 HydrophobicContact CD1-CB 3.93Å; L13-K35 HydrophobicContact CD2-CB 4.23Å; D31-K35 WeakPolarHBondContact O-CG 3.49Å; D31-K35 PolarHBondContact O-N 3.33Å; D31-K35 WeakPolarHBondContact OD1-CE 3.31Å; D31-K35 IonicContact OD1-NZ 3.91Å; D31-K35 PolarHBondContact OD1-NZ 3.02Å; D31-K35 WeakPolarHBondContact OD2-CE 3.31Å; D31-K35 IonicContact OD2-NZ 2.79Å; D31-K35 PolarHBondContact OD2-NZ 3.31Å; A32-K35 PolarHBondContact O-N 2.92Å; K35-I37 VanDerWaalsContact C-N 3.34Å; K35-I37 PolarHBondContact O-N 3.04Å; K35-E38 PolarHBondContact O-N 3.42Å; K35-I39 WeakPolarHBondContact O-CG1 3.39Å; K35-I39 PolarHBondContact O-N 2.78Å
36A98Very high97.2Very high0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-62.8-39.8176.300000112.6L13 K14 A32 Y33 T34 I39 R40 Y45L13-A36 HydrophobicContact CB-CB 3.81Å; K14-A36 HydrophobicContact CB-CB 4.45Å; A32-A36 PolarHBondContact O-N 3.35Å; Y33-A36 WeakPolarHBondContact O-CB 3.44Å; Y33-A36 PolarHBondContact O-N 3.15Å; T34-A36 VanDerWaalsContact C-N 3.32Å; T34-A36 PolarHBondContact O-N 2.88Å; A36-I39 PolarHBondContact O-N 2.94Å; A36-R40 PolarHBondContact O-N 3.24Å; A36-Y45 HydrophobicContact CB-CD2 3.99Å; A36-Y45 HydrophobicContact CB-CE2 4.1Å
37I97.8Very high97.4Very high17 Ų1745.5 Ų45.59%0.08722%0.22CC..Hα-helixtrans-68-40.1178.3-71.4162.1000111.3Y33 T34 K35 I39 R40 E41 Y45 L46 R49Y33-I37 WeakPolarHBondContact O-CB 3.47Å; Y33-I37 WeakPolarHBondContact O-CD1 3.44Å; Y33-I37 VanDerWaalsContact O-CG1 3.23Å; Y33-I37 WeakPolarHBondContact O-CG1 3.49Å; Y33-I37 PolarHBondContact O-N 3.3Å; T34-I37 WeakPolarHBondContact O-CB 3.38Å; T34-I37 PolarHBondContact O-N 3.48Å; T34-I37 VanDerWaalsContact O-N 3.13Å; K35-I37 VanDerWaalsContact C-N 3.34Å; K35-I37 PolarHBondContact O-N 3.04Å; I37-I39 VanDerWaalsContact C-N 3.27Å; I37-I39 PolarHBondContact O-N 3.1Å; I37-R40 CarbonylContact O-C 3.25Å; I37-R40 VanDerWaalsContact O-C 3.25Å; I37-R40 PolarHBondContact O-N 3.25Å; I37-E41 HydrophobicContact CG2-CB 4.39Å; I37-E41 HydrophobicContact CG2-CG 4.2Å; I37-E41 PolarHBondContact O-N 3.39Å; I37-E41 VanDerWaalsContact O-N 3.13Å; I37-Y45 HydrophobicContact CG1-CD2 4.34Å; I37-L46 HydrophobicContact CD1-CD2 3.91Å; I37-L46 HydrophobicContact CD1-CG 4.27Å; I37-L46 HydrophobicContact CG2-CD2 4.45Å; I37-R49 HydrophobicContact CD1-CB 4.25Å; I37-R49 VanDerWaalsContact CD1-CZ 3.44Å
38E97.2Very high97.6Very high152 Ų15240.4 Ų40.471%0.7120%0.197SC*.Hα-helixtrans-60.8-35.2176.2-73.3172.917300112.5T34 K35T34-E38 WeakPolarHBondContact O-CG 3.23Å; T34-E38 PolarHBondContact O-N 2.97Å; K35-E38 PolarHBondContact O-N 3.42Å
39I96.4Very high97.7Very high58 Ų5836.9 Ų36.930%0.29718%0.181SC..Hα-helixtrans-76.4-47.3174.5-60.6175.5000111I6 E9 A10 L13 K35 A36 I37I6-I39 HydrophobicContact CG2-CG2 3.75Å; E9-I39 HydrophobicContact CB-CD1 4.38Å; E9-I39 HydrophobicContact CG-CD1 3.71Å; A10-I39 HydrophobicContact CB-CB 4.06Å; A10-I39 HydrophobicContact CB-CG2 3.85Å; L13-I39 HydrophobicContact CD1-CD1 3.54Å; K35-I39 WeakPolarHBondContact O-CG1 3.39Å; K35-I39 PolarHBondContact O-N 2.78Å; A36-I39 PolarHBondContact O-N 2.94Å; I37-I39 VanDerWaalsContact C-N 3.27Å; I37-I39 PolarHBondContact O-N 3.1Å
40R94.6Very high97.7Very high89 Ų8936.9 Ų36.934%0.33618%0.181SC..  trans-150.6107.4-179.7-172.6-178.869.7152.60.6111.2A10 E11 A36 I37 T42 Y45A10-R40 HydrophobicContact CB-CB 4.13Å; E11-R40 IonicContact OE1-CZ 2.88Å; E11-R40 IonicContact OE1-NH2 3.21Å; E11-R40 PolarHBondContact OE1-NH2 3.47Å; A36-R40 PolarHBondContact O-N 3.24Å; I37-R40 CarbonylContact O-C 3.25Å; I37-R40 VanDerWaalsContact O-C 3.25Å; I37-R40 PolarHBondContact O-N 3.25Å; R40-T42 HydrophobicContact CG-CG2 3.9Å; R40-T42 PolarHBondContact O-N 3.11Å; R40-Y45 HydrophobicContact CB-CE2 4.44Å; R40-Y45 PolarHBondContact NH2-OH 3.43Å; R40-Y45 WeakPolarHBondContact O-CD2 3.26Å; R40-Y45 WeakPolarHBondContact O-CE2 3.45Å
41E96Very high97.7Very high89 Ų8937.3 Ų37.342%0.41618%0.183SC..  trans-70.7119.9174.1-168.5-17971.800110.8I37 L46 K68 L72I37-E41 HydrophobicContact CG2-CB 4.39Å; I37-E41 HydrophobicContact CG2-CG 4.2Å; I37-E41 PolarHBondContact O-N 3.39Å; I37-E41 VanDerWaalsContact O-N 3.13Å; E41-L46 HydrophobicContact CG-CD1 3.82Å; E41-L46 HydrophobicContact CG-CG 4.39Å; E41-K68 WeakPolarHBondContact OE1-CE 3.46Å; E41-K68 IonicContact OE1-NZ 3.56Å; E41-K68 PolarHBondContact OE1-NZ 3.12Å; E41-K68 WeakPolarHBondContact OE2-CE 3.24Å; E41-L72 HydrophobicContact CG-CD1 3.75Å
42T97.2Very high97.6Very high26 Ų2633.5 Ų33.516%0.1616%0.162CC..  trans-135.3154.3175.574.80000111.2R40 V44 Y45 L46R40-T42 HydrophobicContact CG-CG2 3.9Å; R40-T42 PolarHBondContact O-N 3.11Å; T42-V44 PolarHBondContact O-N 3.1Å; T42-Y45 HydrophobicContact CG2-CD2 4.29Å; T42-Y45 HydrophobicContact CG2-CE2 4.13Å; T42-Y45 PolarHBondContact O-N 2.92Å; T42-Y45 WeakPolarHBondContact OG1-CD1 3.49Å; T42-Y45 PolarHBondContact OG1-N 2.97Å; T42-L46 PolarHBondContact O-N 3.25Å; T42-L46 VanDerWaalsContact O-N 3.16Å
43A98.1Very high97.6Very high8 Ų834.8 Ų34.87%0.06617%0.167CC..Hα-helixtrans-57.5-33.417500000112.8A47 A69 L72 D73 Y76A43-A47 WeakPolarHBondContact O-CB 3.25Å; A43-A47 PolarHBondContact O-N 3.41Å; A43-A69 HydrophobicContact CB-CB 4.19Å; A43-A69 WeakPolarHBondContact CB-O 3.45Å; A43-A69 WeakPolarHBondContact O-CB 3.18Å; A43-L72 HydrophobicContact CB-CB 4.4Å; A43-D73 HydrophobicContact CB-CB 3.75Å; A43-Y76 HydrophobicContact CB-CD1 3.86Å; A43-Y76 HydrophobicContact CB-CG 4.24Å; A43-Y76 VanDerWaalsContact O-CE1 3.32Å; A43-Y76 WeakPolarHBondContact O-CE1 3.44Å
44V97.9Very high97.5Very high56 Ų5634.6 Ų34.634%0.33917%0.167SC..Hα-helixtrans-65.8-48.6178.4177.70000111.1T42 A47 N48 Y76T42-V44 PolarHBondContact O-N 3.1Å; V44-A47 PolarHBondContact O-N 3.46Å; V44-N48 WeakPolarHBondContact O-CB 3.08Å; V44-N48 VanDerWaalsContact O-CG 3.3Å; V44-N48 PolarHBondContact O-N 3.23Å; V44-N48 PolarHBondContact O-OD1 2.96Å; V44-Y76 HydrophobicContact CG2-CE1 4.43Å; V44-Y76 HydrophobicContact CG2-CE2 4.01Å
45Y98Very high97.2Very high1 Ų137.2 Ų37.20%0.00417%0.173CC..Hα-helixtrans-67.5-44.6-174.9-57.5-4.8000110.8A10 E11 K14 A36 I37 R40 T42 N48 R49A10-Y45 HydrophobicContact CB-CE2 4.03Å; E11-Y45 VanDerWaalsContact CD-OH 3.28Å; E11-Y45 PolarHBondContact OE1-OH 3.28Å; K14-Y45 HydrophobicContact CB-CD1 4.22Å; K14-Y45 HydrophobicContact CB-CE1 4.03Å; K14-Y45 HydrophobicContact CD-CD1 3.86Å; K14-Y45 HydrophobicContact CD-CE1 3.62Å; K14-Y45 HydrophobicContact CG-CD1 3.78Å; K14-Y45 HydrophobicContact CG-CE1 3.87Å; A36-Y45 HydrophobicContact CB-CD2 3.99Å; A36-Y45 HydrophobicContact CB-CE2 4.1Å; I37-Y45 HydrophobicContact CG1-CD2 4.34Å; R40-Y45 HydrophobicContact CB-CE2 4.44Å; R40-Y45 PolarHBondContact NH2-OH 3.43Å; R40-Y45 WeakPolarHBondContact O-CD2 3.26Å; R40-Y45 WeakPolarHBondContact O-CE2 3.45Å; T42-Y45 HydrophobicContact CG2-CD2 4.29Å; T42-Y45 HydrophobicContact CG2-CE2 4.13Å; T42-Y45 PolarHBondContact O-N 2.92Å; T42-Y45 WeakPolarHBondContact OG1-CD1 3.49Å; T42-Y45 PolarHBondContact OG1-N 2.97Å; Y45-N48 PolarHBondContact O-N 3.4Å; Y45-R49 PolarHBondContact O-N 3.2Å
46L98.6Very high96.9Very high2 Ų234.5 Ų34.51%0.0116%0.164CC..Hα-helixtrans-60.9-47.1176.2-71.8163.4000111.9I37 E41 T42 N48 R49 S50 D65 K68 A69 L72I37-L46 HydrophobicContact CD1-CD2 3.91Å; I37-L46 HydrophobicContact CD1-CG 4.27Å; I37-L46 HydrophobicContact CG2-CD2 4.45Å; E41-L46 HydrophobicContact CG-CD1 3.82Å; E41-L46 HydrophobicContact CG-CG 4.39Å; T42-L46 PolarHBondContact O-N 3.25Å; T42-L46 VanDerWaalsContact O-N 3.16Å; L46-N48 PolarHBondContact O-N 3.31Å; L46-R49 PolarHBondContact O-N 3.28Å; L46-S50 WeakPolarHBondContact O-CB 3.37Å; L46-S50 PolarHBondContact O-N 2.75Å; L46-D65 HydrophobicContact CB-CB 4.46Å; L46-D65 HydrophobicContact CD2-CB 4.36Å; L46-D65 WeakPolarHBondContact CD2-OD1 3.47Å; L46-K68 HydrophobicContact CD1-CB 4.03Å; L46-K68 HydrophobicContact CD1-CG 3.51Å; L46-K68 HydrophobicContact CD2-CG 4.37Å; L46-A69 HydrophobicContact CB-CB 3.92Å; L46-L72 HydrophobicContact CD1-CD1 3.61Å
47A98.4Very high96.6Very high1 Ų136.6 Ų36.61%0.00817%0.173CC..Hα-helixtrans-68.4-24.7178.600000113.5A43 V44 L51 A69 Y76 R82A43-A47 WeakPolarHBondContact O-CB 3.25Å; A43-A47 PolarHBondContact O-N 3.41Å; V44-A47 PolarHBondContact O-N 3.46Å; A47-L51 PolarHBondContact O-N 2.7Å; A47-A69 HydrophobicContact CB-CB 4.32Å; A47-Y76 HydrophobicContact CB-CD1 4.3Å; A47-Y76 HydrophobicContact CB-CE1 3.55Å; A47-R82 HydrophobicContact CB-CG 4.34Å; A47-R82 WeakPolarHBondContact O-CG 3.43Å; A47-R82 PolarHBondContact O-NE 2.6Å
48N98.1Very high96.5Very high21 Ų2136.7 Ų36.711%0.11218%0.175CC..Hα-helixtrans-76.1-43.9173.7-76.67.4000111.2N18 Y33 V44 Y45 L46 L51 A52N18-N48 PolarHBondContact OD1-ND2 2.94Å; Y33-N48 HydrophobicContact CD1-CB 4.14Å; Y33-N48 HydrophobicContact CE1-CB 3.53Å; Y33-N48 HydrophobicContact CE2-CB 4.14Å; V44-N48 WeakPolarHBondContact O-CB 3.08Å; V44-N48 VanDerWaalsContact O-CG 3.3Å; V44-N48 PolarHBondContact O-N 3.23Å; V44-N48 PolarHBondContact O-OD1 2.96Å; Y45-N48 PolarHBondContact O-N 3.4Å; L46-N48 PolarHBondContact O-N 3.31Å; N48-L51 WeakPolarHBondContact O-CB 3.32Å; N48-L51 PolarHBondContact O-N 3.1Å; N48-L51 VanDerWaalsContact O-N 3.14Å; N48-A52 PolarHBondContact O-N 3.11Å; N48-A52 VanDerWaalsContact O-N 3.14Å
49R98.5Very high96.4Very high30 Ų3029.9 Ų29.911%0.11314%0.143CC..Hα-helixtrans-64.7-39.5173.4-167175.264.4178.9-0.6112Y33 T34 I37 Y45 L46 L51 A52 Y53 D65Y33-R49 HydrophobicContact CD2-CB 4.04Å; Y33-R49 HydrophobicContact CD2-CG 4.4Å; Y33-R49 HydrophobicContact CG-CB 4.05Å; T34-R49 WeakPolarHBondContact OG1-CD 3.35Å; T34-R49 PolarHBondContact OG1-NH1 3.28Å; I37-R49 HydrophobicContact CD1-CB 4.25Å; I37-R49 VanDerWaalsContact CD1-CZ 3.44Å; Y45-R49 PolarHBondContact O-N 3.2Å; L46-R49 PolarHBondContact O-N 3.28Å; R49-L51 PolarHBondContact O-N 3.4Å; R49-A52 CarbonylContact O-C 3.47Å; R49-A52 WeakPolarHBondContact O-CA 3.44Å; R49-A52 WeakPolarHBondContact O-CB 3.1Å; R49-A52 PolarHBondContact O-N 3.39Å; R49-Y53 HydrophobicContact CG-CD2 4.09Å; R49-Y53 HydrophobicContact CG-CE2 3.69Å; R49-Y53 PolarHBondContact O-N 2.91Å; R49-D65 WeakPolarHBondContact CB-OD2 3.43Å; R49-D65 IonicContact CZ-OD1 3.89Å; R49-D65 IonicContact CZ-OD2 2.67Å; R49-D65 IonicContact NE-OD1 2.72Å; R49-D65 IonicContact NE-OD2 3.87Å; R49-D65 PolarHBondContact NE-OD2 2.98Å; R49-D65 IonicContact NH2-OD1 3.54Å; R49-D65 PolarHBondContact NH2-OD1 2.87Å; R49-D65 IonicContact NH2-OD2 2.69Å; R49-D65 PolarHBondContact NH2-OD2 3.08Å
50S98.4Very high96.4Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-53.5-40.8169.8177.20000112.3L46 Y53 L54 A62 R82L46-S50 WeakPolarHBondContact O-CB 3.37Å; L46-S50 PolarHBondContact O-N 2.75Å; S50-Y53 PolarHBondContact O-N 3.49Å; S50-L54 WeakPolarHBondContact O-CG 3.35Å; S50-L54 PolarHBondContact O-N 3.38Å; S50-A62 WeakPolarHBondContact O-CB 3.28Å; S50-A62 PolarHBondContact OG-O 3.47Å; S50-R82 WeakPolarHBondContact OG-CB 3.37Å
51L97.1Very high96.5Very high24 Ų2426.6 Ų26.613%0.12613%0.13CC..Hα-helixtrans-65.6-40.6173.9-176.862.1000112.2F21 A47 N48 R49 Y53 L54 R55F21-L51 HydrophobicContact CE1-CD2 3.91Å; F21-L51 HydrophobicContact CE2-CB 4.38Å; F21-L51 HydrophobicContact CE2-CD2 3.97Å; F21-L51 HydrophobicContact CE2-CG 3.79Å; F21-L51 HydrophobicContact CZ-CD2 3.38Å; F21-L51 HydrophobicContact CZ-CG 3.54Å; A47-L51 PolarHBondContact O-N 2.7Å; N48-L51 WeakPolarHBondContact O-CB 3.32Å; N48-L51 PolarHBondContact O-N 3.1Å; N48-L51 VanDerWaalsContact O-N 3.14Å; R49-L51 PolarHBondContact O-N 3.4Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-L54 HydrophobicContact CD1-CD1 4.21Å; L51-L54 WeakPolarHBondContact O-CB 3.49Å; L51-L54 PolarHBondContact O-N 2.94Å; L51-R55 WeakPolarHBondContact O-CG 3.1Å; L51-R55 PolarHBondContact O-N 3.04Å; L51-R55 VanDerWaalsContact O-N 3.11Å
52A97.2Very high96.6Very high0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-62.9-40.8175.100000111.3F21 I30 Y33 N48 R49 L54 R55 T56F21-A52 HydrophobicContact CD2-CB 3.99Å; F21-A52 HydrophobicContact CE2-CB 4.14Å; I30-A52 HydrophobicContact CD1-CB 4.23Å; I30-A52 HydrophobicContact CG1-CB 3.55Å; Y33-A52 HydrophobicContact CE2-CB 4.47Å; N48-A52 PolarHBondContact O-N 3.11Å; N48-A52 VanDerWaalsContact O-N 3.14Å; R49-A52 CarbonylContact O-C 3.47Å; R49-A52 WeakPolarHBondContact O-CA 3.44Å; R49-A52 WeakPolarHBondContact O-CB 3.1Å; R49-A52 PolarHBondContact O-N 3.39Å; A52-L54 PolarHBondContact O-N 3.06Å; A52-R55 WeakPolarHBondContact O-CB 3.48Å; A52-R55 PolarHBondContact O-N 2.9Å; A52-R55 VanDerWaalsContact O-N 3.08Å; A52-T56 PolarHBondContact O-N 3.26Å; A52-T56 PolarHBondContact O-OG1 3.38Å
53Y97.7Very high96.7Very high29 Ų2922.7 Ų22.711%0.11411%0.11CC..Hα-helixtrans-63.4-34.5171.9-72.2-42.3000113.8I30 R49 S50 L51 R55 T56 E57 C58 Y61 D65I30-Y53 HydrophobicContact CB-CE1 4.48Å; I30-Y53 HydrophobicContact CD1-CD1 3.68Å; I30-Y53 HydrophobicContact CD1-CE1 3.88Å; I30-Y53 HydrophobicContact CG1-CD1 4.09Å; I30-Y53 HydrophobicContact CG1-CE1 4.06Å; I30-Y53 HydrophobicContact CG2-CD1 4.41Å; I30-Y53 HydrophobicContact CG2-CE1 3.56Å; R49-Y53 HydrophobicContact CG-CD2 4.09Å; R49-Y53 HydrophobicContact CG-CE2 3.69Å; R49-Y53 PolarHBondContact O-N 2.91Å; S50-Y53 PolarHBondContact O-N 3.49Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-T56 CarbonylContact O-C 3.54Å; Y53-T56 PolarHBondContact O-N 2.91Å; Y53-T56 PolarHBondContact O-OG1 3.48Å; Y53-E57 CarbonylContact O-C 3.59Å; Y53-E57 PolarHBondContact O-N 3.27Å; Y53-C58 HydrophobicContact CD1-CB 3.73Å; Y53-C58 HydrophobicContact CG-CB 4.15Å; Y53-C58 PolarHBondContact O-N 2.76Å; Y53-Y61 HydrophobicContact CD1-CD2 4.42Å; Y53-Y61 HydrophobicContact CE1-CD2 4.02Å; Y53-D65 WeakPolarHBondContact CE2-OD2 3.39Å
54L95.6Very high96.7Very high2 Ų226.7 Ų26.71%0.0113%0.13CC..Hα-helixtrans-61.9-41.1170.8-69.9170.9000111.1S50 L51 A52 T56 E57 F59 A62 A86S50-L54 WeakPolarHBondContact O-CG 3.35Å; S50-L54 PolarHBondContact O-N 3.38Å; L51-L54 HydrophobicContact CD1-CD1 4.21Å; L51-L54 WeakPolarHBondContact O-CB 3.49Å; L51-L54 PolarHBondContact O-N 2.94Å; A52-L54 PolarHBondContact O-N 3.06Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.41Å; L54-E57 PolarHBondContact O-N 3.3Å; L54-F59 HydrophobicContact CD2-CD1 3.96Å; L54-F59 HydrophobicContact CD2-CE1 4.44Å; L54-A62 HydrophobicContact CD2-CB 3.82Å; L54-A62 HydrophobicContact CG-CB 3.88Å; L54-A86 HydrophobicContact CD2-CB 3.89Å
55R91.9Very high96.7Very high87 Ų8724.6 Ų24.633%0.32812%0.117SC..Hα-helixtrans-69.6-28.9179.9-65.6-71.3-177.8-99.716.2113.3F21 Y26 L51 A52 Y53 M487F21-R55 HydrophobicContact CE2-CG 3.85Å; F21-R55 HydrophobicContact CZ-CG 3.87Å; Y26-R55 HydrophobicContact CD1-CB 3.85Å; Y26-R55 HydrophobicContact CD1-CG 4.1Å; Y26-R55 HydrophobicContact CD2-CB 3.8Å; Y26-R55 HydrophobicContact CE1-CB 3.92Å; Y26-R55 HydrophobicContact CE1-CG 3.79Å; Y26-R55 HydrophobicContact CE2-CB 3.87Å; Y26-R55 HydrophobicContact CE2-CG 4.39Å; Y26-R55 HydrophobicContact CG-CB 3.8Å; L51-R55 WeakPolarHBondContact O-CG 3.1Å; L51-R55 PolarHBondContact O-N 3.04Å; L51-R55 VanDerWaalsContact O-N 3.11Å; A52-R55 WeakPolarHBondContact O-CB 3.48Å; A52-R55 PolarHBondContact O-N 2.9Å; A52-R55 VanDerWaalsContact O-N 3.08Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; R55-M487 WeakPolarHBondContact CD-OXT 3.29Å; R55-M487 PolarHBondContact NH1-O 3.21Å; R55-M487 PolarHBondContact NH1-OXT 3.21Å
56T92.2Very high96.7Very high33 Ų3324.5 Ų24.520%0.20212%0.117CC..THydrogen-bonded Turntrans-98.511.9173.462.70000112.7Y26 I30 A52 Y53 L54 C58Y26-T56 HydrophobicContact CG-CG2 4.41Å; I30-T56 HydrophobicContact CD1-CG2 3.83Å; A52-T56 PolarHBondContact O-N 3.26Å; A52-T56 PolarHBondContact O-OG1 3.38Å; Y53-T56 CarbonylContact O-C 3.54Å; Y53-T56 PolarHBondContact O-N 2.91Å; Y53-T56 PolarHBondContact O-OG1 3.48Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.41Å; T56-C58 PolarHBondContact O-N 2.82Å
57E92.3Very high96.7Very high43 Ų4326.4 Ų26.420%0.20113%0.131CC..THydrogen-bonded Turntrans57.320.9175.8-55.4175.4-174.100115.1Y53 L54 F59 R260 Y298Y53-E57 CarbonylContact O-C 3.59Å; Y53-E57 PolarHBondContact O-N 3.27Å; L54-E57 PolarHBondContact O-N 3.3Å; E57-F59 HydrophobicContact CB-CE1 4.14Å; E57-F59 HydrophobicContact CB-CE2 3.87Å; E57-F59 HydrophobicContact CB-CZ 3.61Å; E57-F59 HydrophobicContact CG-CE1 4.28Å; E57-F59 HydrophobicContact CG-CE2 4.37Å; E57-F59 HydrophobicContact CG-CZ 3.71Å; E57-F59 WeakPolarHBondContact O-CD2 3.35Å; E57-F59 PolarHBondContact O-N 2.7Å; E57-R260 IonicContact OE1-CZ 3.88Å; E57-R260 VanDerWaalsContact OE1-CZ 3.26Å; E57-R260 IonicContact OE1-NH1 3.06Å; E57-R260 PolarHBondContact OE1-NH1 2.64Å; E57-R260 IonicContact OE1-NH2 3.79Å; E57-R260 PolarHBondContact OE1-NH2 3.28Å; E57-R260 IonicContact OE2-CZ 3.6Å; E57-R260 IonicContact OE2-NH1 3.56Å; E57-R260 PolarHBondContact OE2-NH1 2.74Å; E57-R260 IonicContact OE2-NH2 2.7Å; E57-R260 PolarHBondContact OE2-NH2 3.14Å; E57-Y298 WeakPolarHBondContact OE1-CE1 3.46Å; E57-Y298 PolarHBondContact OE2-OH 2.71Å
58C95.1Very high96.7Very high19 Ų1930.3 Ų30.313%0.12815%0.147CC..  trans-78.960.6168.5-65.90000109.7Y53 T56 G60 Y61 A62 K384Y53-C58 HydrophobicContact CD1-CB 3.73Å; Y53-C58 HydrophobicContact CG-CB 4.15Å; Y53-C58 PolarHBondContact O-N 2.76Å; T56-C58 PolarHBondContact O-N 2.82Å; C58-G60 VanDerWaalsContact C-N 3.26Å; C58-G60 PolarHBondContact O-N 2.97Å; C58-Y61 HydrophobicContact CB-CD2 4.13Å; C58-Y61 PolarHBondContact O-N 3.48Å; C58-Y61 VanDerWaalsContact O-N 3.11Å; C58-A62 PolarHBondContact O-N 3.33Å; C58-K384 CarbonylContact C-O 3.54Å; C58-K384 WeakPolarHBondContact CA-O 3.38Å
59F96.1Very high96.7Very high9 Ų929.3 Ų29.34%0.03914%0.142CC..Hα-helixtrans-62-30.5-170.5-54-55.2000113.9L54 E57 A62 L63 A89 L90 K384 M487L54-F59 HydrophobicContact CD2-CD1 3.96Å; L54-F59 HydrophobicContact CD2-CE1 4.44Å; E57-F59 HydrophobicContact CB-CE1 4.14Å; E57-F59 HydrophobicContact CB-CE2 3.87Å; E57-F59 HydrophobicContact CB-CZ 3.61Å; E57-F59 HydrophobicContact CG-CE1 4.28Å; E57-F59 HydrophobicContact CG-CE2 4.37Å; E57-F59 HydrophobicContact CG-CZ 3.71Å; E57-F59 WeakPolarHBondContact O-CD2 3.35Å; E57-F59 PolarHBondContact O-N 2.7Å; F59-A62 PolarHBondContact O-N 3.38Å; F59-L63 VanDerWaalsContact O-CB 3.32Å; F59-L63 WeakPolarHBondContact O-CB 3.34Å; F59-L63 PolarHBondContact O-N 3.15Å; F59-A89 HydrophobicContact CD1-CB 3.49Å; F59-A89 VanDerWaalsContact CD1-CB 3.49Å; F59-A89 HydrophobicContact CD2-CB 4.02Å; F59-A89 HydrophobicContact CE1-CB 3.41Å; F59-A89 VanDerWaalsContact CE1-CB 3.41Å; F59-A89 HydrophobicContact CE2-CB 3.95Å; F59-A89 HydrophobicContact CG-CB 3.81Å; F59-A89 HydrophobicContact CZ-CB 3.65Å; F59-L90 HydrophobicContact CB-CD1 4.3Å; F59-L90 HydrophobicContact CB-CD2 3.89Å; F59-L90 HydrophobicContact CB-CG 3.93Å; F59-L90 HydrophobicContact CD2-CD2 4.46Å; F59-K384 PolarHBondContact N-O 2.87Å; F59-M487 HydrophobicContact CZ-CG 4.39Å
60G96Very high96.7Very high5 Ų528.7 Ų28.75%0.05214%0.141CC..Hα-helixtrans-63.9-49.3173.900000111.1C58 A62 L63 D64 K384 G386C58-G60 VanDerWaalsContact C-N 3.26Å; C58-G60 PolarHBondContact O-N 2.97Å; G60-A62 VanDerWaalsContact C-N 3.33Å; G60-A62 PolarHBondContact O-N 2.79Å; G60-L63 WeakPolarHBondContact O-CB 3.37Å; G60-L63 PolarHBondContact O-N 3.42Å; G60-L63 VanDerWaalsContact O-N 3.15Å; G60-D64 PolarHBondContact O-N 3.49Å; G60-K384 WeakPolarHBondContact CA-O 3.49Å; G60-K384 PolarHBondContact N-O 3.23Å; G60-G386 VanDerWaalsContact CA-CA 3.47Å
61Y97.1Very high96.7Very high74 Ų7432.7 Ų32.729%0.2917%0.169SC..Hα-helixtrans-66.7-35.3176-62.8-18.7000112.7Y53 C58 L63 D64 D65 K384 Q390Y53-Y61 HydrophobicContact CD1-CD2 4.42Å; Y53-Y61 HydrophobicContact CE1-CD2 4.02Å; C58-Y61 HydrophobicContact CB-CD2 4.13Å; C58-Y61 PolarHBondContact O-N 3.48Å; C58-Y61 VanDerWaalsContact O-N 3.11Å; Y61-L63 VanDerWaalsContact C-N 3.3Å; Y61-L63 PolarHBondContact O-N 2.95Å; Y61-D64 PolarHBondContact O-N 2.93Å; Y61-D65 WeakPolarHBondContact O-CB 3.45Å; Y61-D65 PolarHBondContact O-N 3.42Å; Y61-K384 HydrophobicContact CD1-CB 4.38Å; Y61-K384 HydrophobicContact CD2-CB 3.69Å; Y61-K384 HydrophobicContact CE1-CB 4.02Å; Y61-K384 HydrophobicContact CE2-CB 3.27Å; Y61-K384 HydrophobicContact CG-CB 4.23Å; Y61-K384 VanDerWaalsContact CZ-CB 3.47Å; Y61-K384 PolarHBondContact N-O 3.1Å; Y61-Q390 PolarHBondContact OH-NE2 3.3Å
62A98.1Very high96.8Very high0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-60.5-41.5172.200000111.8S50 L54 C58 F59 G60 A66 A86S50-A62 WeakPolarHBondContact O-CB 3.28Å; S50-A62 PolarHBondContact OG-O 3.47Å; L54-A62 HydrophobicContact CD2-CB 3.82Å; L54-A62 HydrophobicContact CG-CB 3.88Å; C58-A62 PolarHBondContact O-N 3.33Å; F59-A62 PolarHBondContact O-N 3.38Å; G60-A62 VanDerWaalsContact C-N 3.33Å; G60-A62 PolarHBondContact O-N 2.79Å; A62-A66 WeakPolarHBondContact O-CB 3.3Å; A62-A66 PolarHBondContact O-N 2.92Å; A62-A86 HydrophobicContact CB-CB 4.2Å
63L97.8Very high96.8Very high33 Ų3338.1 Ų38.117%0.17320%0.197CC..Hα-helixtrans-65.3-44.5178.1-173.374.4000111.7F59 G60 Y61 A66 S67 R83 A86 H87 L90F59-L63 VanDerWaalsContact O-CB 3.32Å; F59-L63 WeakPolarHBondContact O-CB 3.34Å; F59-L63 PolarHBondContact O-N 3.15Å; G60-L63 WeakPolarHBondContact O-CB 3.37Å; G60-L63 PolarHBondContact O-N 3.42Å; G60-L63 VanDerWaalsContact O-N 3.15Å; Y61-L63 VanDerWaalsContact C-N 3.3Å; Y61-L63 PolarHBondContact O-N 2.95Å; L63-A66 PolarHBondContact O-N 3.37Å; L63-S67 VanDerWaalsContact O-CB 3.29Å; L63-S67 WeakPolarHBondContact O-CB 3.25Å; L63-S67 PolarHBondContact O-N 3.44Å; L63-S67 PolarHBondContact O-OG 2.97Å; L63-R83 HydrophobicContact CD1-CG 3.48Å; L63-R83 VanDerWaalsContact CD1-CG 3.48Å; L63-A86 HydrophobicContact CB-CB 4.19Å; L63-A86 HydrophobicContact CD1-CB 4.23Å; L63-H87 VanDerWaalsContact CD1-NE2 3.32Å; L63-H87 WeakPolarHBondContact CD1-NE2 3.41Å; L63-L90 HydrophobicContact CD2-CD1 4.43Å
64D97.8Very high96.8Very high91 Ų9140.9 Ų40.949%0.48722%0.221SC..Hα-helixtrans-62.1-51.5178.6-70.8-24.2000111.3G60 Y61 A66 S67 K68G60-D64 PolarHBondContact O-N 3.49Å; Y61-D64 PolarHBondContact O-N 2.93Å; D64-A66 VanDerWaalsContact C-N 3.34Å; D64-A66 PolarHBondContact O-N 3.44Å; D64-S67 PolarHBondContact O-N 3.2Å; D64-K68 VanDerWaalsContact O-CB 3.31Å; D64-K68 WeakPolarHBondContact O-CB 3.35Å; D64-K68 PolarHBondContact O-N 2.87Å
65D98.5Very high96.8Very high12 Ų1245.1 Ų45.16%0.06425%0.251CS..Hα-helixtrans-61.2-42.9178.7-88.63.5000111.7L46 R49 Y53 Y61 K68 A69L46-D65 HydrophobicContact CB-CB 4.46Å; L46-D65 HydrophobicContact CD2-CB 4.36Å; L46-D65 WeakPolarHBondContact CD2-OD1 3.47Å; R49-D65 WeakPolarHBondContact CB-OD2 3.43Å; R49-D65 IonicContact CZ-OD1 3.89Å; R49-D65 IonicContact CZ-OD2 2.67Å; R49-D65 IonicContact NE-OD1 2.72Å; R49-D65 IonicContact NE-OD2 3.87Å; R49-D65 PolarHBondContact NE-OD2 2.98Å; R49-D65 IonicContact NH2-OD1 3.54Å; R49-D65 PolarHBondContact NH2-OD1 2.87Å; R49-D65 IonicContact NH2-OD2 2.69Å; R49-D65 PolarHBondContact NH2-OD2 3.08Å; Y53-D65 WeakPolarHBondContact CE2-OD2 3.39Å; Y61-D65 WeakPolarHBondContact O-CB 3.45Å; Y61-D65 PolarHBondContact O-N 3.42Å; D65-K68 PolarHBondContact O-N 3.4Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 3.39Å
66A98.6Very high97Very high0 Ų042.8 Ų42.80%024%0.242CC..Hα-helixtrans-65.9-41.317900000112A62 L63 D64 A69 I70 R82 R83A62-A66 WeakPolarHBondContact O-CB 3.3Å; A62-A66 PolarHBondContact O-N 2.92Å; L63-A66 PolarHBondContact O-N 3.37Å; D64-A66 VanDerWaalsContact C-N 3.34Å; D64-A66 PolarHBondContact O-N 3.44Å; A66-A69 PolarHBondContact O-N 3.4Å; A66-I70 WeakPolarHBondContact O-CD1 3.1Å; A66-I70 VanDerWaalsContact O-CG1 3.29Å; A66-I70 WeakPolarHBondContact O-CG1 3.33Å; A66-I70 PolarHBondContact O-N 3.4Å; A66-I70 VanDerWaalsContact O-N 3.12Å; A66-R82 HydrophobicContact CB-CB 3.84Å; A66-R83 HydrophobicContact CB-CB 3.65Å; A66-R83 HydrophobicContact CB-CG 4.19Å
67S98.5Very high97.2Very high42 Ų4243 Ų4329%0.29424%0.244SC..Hα-helixtrans-64.7-43.2176.1-63.60000111.5L63 D64 I70 S71 R83L63-S67 VanDerWaalsContact O-CB 3.29Å; L63-S67 WeakPolarHBondContact O-CB 3.25Å; L63-S67 PolarHBondContact O-N 3.44Å; L63-S67 PolarHBondContact O-OG 2.97Å; D64-S67 PolarHBondContact O-N 3.2Å; S67-I70 PolarHBondContact O-N 3.5Å; S67-S71 PolarHBondContact O-N 3.02Å; S67-R83 WeakPolarHBondContact OG-CD 3.48Å
68K98.5Very high97.4Very high83 Ų8345.9 Ų45.936%0.36126%0.255SS..Hα-helixtrans-63.5-43.1175.7-175.667179.3178.60111.2E41 L46 D64 D65 I70 S71 L72E41-K68 WeakPolarHBondContact OE1-CE 3.46Å; E41-K68 IonicContact OE1-NZ 3.56Å; E41-K68 PolarHBondContact OE1-NZ 3.12Å; E41-K68 WeakPolarHBondContact OE2-CE 3.24Å; L46-K68 HydrophobicContact CD1-CB 4.03Å; L46-K68 HydrophobicContact CD1-CG 3.51Å; L46-K68 HydrophobicContact CD2-CG 4.37Å; D64-K68 VanDerWaalsContact O-CB 3.31Å; D64-K68 WeakPolarHBondContact O-CB 3.35Å; D64-K68 PolarHBondContact O-N 2.87Å; D65-K68 PolarHBondContact O-N 3.4Å; K68-I70 VanDerWaalsContact C-N 3.34Å; K68-I70 PolarHBondContact O-N 2.58Å; K68-S71 WeakPolarHBondContact O-CB 3.43Å; K68-S71 PolarHBondContact O-N 3.39Å; K68-S71 VanDerWaalsContact O-N 3.08Å; K68-S71 PolarHBondContact O-OG 2.73Å; K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 2.85Å; K68-L72 VanDerWaalsContact O-N 3.08Å
69A98.7Very high97.5Very high0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-56.9-45.8175.800000112.4A43 L46 A47 D65 A66 S71 L72 D73A43-A69 HydrophobicContact CB-CB 4.19Å; A43-A69 WeakPolarHBondContact CB-O 3.45Å; A43-A69 WeakPolarHBondContact O-CB 3.18Å; L46-A69 HydrophobicContact CB-CB 3.92Å; A47-A69 HydrophobicContact CB-CB 4.32Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 3.39Å; A66-A69 PolarHBondContact O-N 3.4Å; A69-S71 VanDerWaalsContact C-N 3.3Å; A69-S71 PolarHBondContact O-N 3.29Å; A69-L72 PolarHBondContact O-N 3.23Å; A69-D73 PolarHBondContact O-N 3.24Å
70I98.4Very high97.6Very high16 Ų1646.4 Ų46.48%0.08226%0.255CS..Hα-helixtrans-63.2-37.1176.4-65.2162.6000111.2A66 S67 K68 L72 D73 S74 Y80 R83A66-I70 WeakPolarHBondContact O-CD1 3.1Å; A66-I70 VanDerWaalsContact O-CG1 3.29Å; A66-I70 WeakPolarHBondContact O-CG1 3.33Å; A66-I70 PolarHBondContact O-N 3.4Å; A66-I70 VanDerWaalsContact O-N 3.12Å; S67-I70 PolarHBondContact O-N 3.5Å; K68-I70 VanDerWaalsContact C-N 3.34Å; K68-I70 PolarHBondContact O-N 2.58Å; I70-L72 VanDerWaalsContact C-N 3.3Å; I70-L72 PolarHBondContact O-N 3.5Å; I70-D73 CarbonylContact O-C 3.28Å; I70-D73 VanDerWaalsContact O-C 3.28Å; I70-S74 VanDerWaalsContact O-CA 3.32Å; I70-S74 WeakPolarHBondContact O-CA 3.37Å; I70-S74 PolarHBondContact O-N 2.92Å; I70-S74 VanDerWaalsContact O-N 3.12Å; I70-Y80 HydrophobicContact CD1-CD1 3.85Å; I70-Y80 HydrophobicContact CD1-CD2 4.25Å; I70-Y80 HydrophobicContact CD1-CE1 4.05Å; I70-Y80 HydrophobicContact CD1-CE2 4.44Å; I70-Y80 HydrophobicContact CD1-CG 3.96Å; I70-Y80 HydrophobicContact CG1-CD1 4.44Å; I70-Y80 HydrophobicContact CG1-CD2 4.03Å; I70-Y80 HydrophobicContact CG1-CE1 4.41Å; I70-Y80 HydrophobicContact CG1-CE2 4Å; I70-Y80 HydrophobicContact CG1-CG 4.27Å; I70-Y80 HydrophobicContact CG2-CE1 4Å; I70-Y80 HydrophobicContact CG2-CE2 3.97Å; I70-Y80 WeakPolarHBondContact CG2-OH 3.47Å; I70-R83 HydrophobicContact CD1-CB 4.39Å
71S98.4Very high97.6Very high85 Ų8547.3 Ų47.359%0.59426%0.257SS*.Hα-helixtrans-67.2-30.6178.379.50000113.3S67 K68 A69S67-S71 PolarHBondContact O-N 3.02Å; K68-S71 WeakPolarHBondContact O-CB 3.43Å; K68-S71 PolarHBondContact O-N 3.39Å; K68-S71 VanDerWaalsContact O-N 3.08Å; K68-S71 PolarHBondContact O-OG 2.73Å; A69-S71 VanDerWaalsContact C-N 3.3Å; A69-S71 PolarHBondContact O-N 3.29Å
72L98.1Very high97.6Very high77 Ų7745.6 Ų45.640%0.40325%0.25SC..Hα-helixtrans-81.8-38.9177.8-66.5178.9000112.4E41 A43 L46 K68 A69 I70E41-L72 HydrophobicContact CG-CD1 3.75Å; A43-L72 HydrophobicContact CB-CB 4.4Å; L46-L72 HydrophobicContact CD1-CD1 3.61Å; K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 2.85Å; K68-L72 VanDerWaalsContact O-N 3.08Å; A69-L72 PolarHBondContact O-N 3.23Å; I70-L72 VanDerWaalsContact C-N 3.3Å; I70-L72 PolarHBondContact O-N 3.5Å
73D97.8Very high97.6Very high60 Ų6048.2 Ų48.232%0.32126%0.26SS..  trans-143.697.5175.7-177.91.1000110.2A43 A69 I70 S75 Y76A43-D73 HydrophobicContact CB-CB 3.75Å; A69-D73 PolarHBondContact O-N 3.24Å; I70-D73 CarbonylContact O-C 3.28Å; I70-D73 VanDerWaalsContact O-C 3.28Å; D73-S75 PolarHBondContact O-N 2.98Å; D73-S75 WeakPolarHBondContact OD1-CA 3.47Å; D73-S75 WeakPolarHBondContact OD1-CB 3.38Å; D73-S75 PolarHBondContact OD1-N 2.96Å; D73-S75 PolarHBondContact OD1-OG 2.98Å; D73-S75 PolarHBondContact OD2-OG 3.29Å; D73-Y76 WeakPolarHBondContact O-CB 3.45Å; D73-Y76 PolarHBondContact O-N 2.91Å; D73-Y76 PolarHBondContact OD1-N 2.84Å
74S97.3Very high97.6Very high88 Ų8846.7 Ų46.762%0.61525%0.251SS*.THydrogen-bonded Turntrans-69.3-12179.161.40000113.5I70 Y80I70-S74 VanDerWaalsContact O-CA 3.32Å; I70-S74 WeakPolarHBondContact O-CA 3.37Å; I70-S74 PolarHBondContact O-N 2.92Å; I70-S74 VanDerWaalsContact O-N 3.12Å; S74-Y80 WeakPolarHBondContact O-CE2 3.35Å; S74-Y80 PolarHBondContact O-OH 3.47Å
75S96.2Very high97.5Very high91 Ų9142.4 Ų42.464%0.63623%0.229SC*.THydrogen-bonded Turntrans-85.2-13.4172.979.60000112.6D73 V77D73-S75 PolarHBondContact O-N 2.98Å; D73-S75 WeakPolarHBondContact OD1-CA 3.47Å; D73-S75 WeakPolarHBondContact OD1-CB 3.38Å; D73-S75 PolarHBondContact OD1-N 2.96Å; D73-S75 PolarHBondContact OD1-OG 2.98Å; D73-S75 PolarHBondContact OD2-OG 3.29Å; S75-V77 PolarHBondContact O-N 3.16Å
76Y96.4Very high97.4Very high38 Ų3841.9 Ų41.915%0.14923%0.226CC..  trans-78.288.9-176.8-169.3-121.9000112.4A43 V44 A47 D73 K78 G79A43-Y76 HydrophobicContact CB-CD1 3.86Å; A43-Y76 HydrophobicContact CB-CG 4.24Å; A43-Y76 VanDerWaalsContact O-CE1 3.32Å; A43-Y76 WeakPolarHBondContact O-CE1 3.44Å; V44-Y76 HydrophobicContact CG2-CE1 4.43Å; V44-Y76 HydrophobicContact CG2-CE2 4.01Å; A47-Y76 HydrophobicContact CB-CD1 4.3Å; A47-Y76 HydrophobicContact CB-CE1 3.55Å; D73-Y76 WeakPolarHBondContact O-CB 3.45Å; D73-Y76 PolarHBondContact O-N 2.91Å; D73-Y76 PolarHBondContact OD1-N 2.84Å; Y76-K78 HydrophobicContact CD1-CB 4.33Å; Y76-K78 HydrophobicContact CE1-CB 3.82Å; Y76-K78 HydrophobicContact CE2-CB 4.37Å; Y76-K78 HydrophobicContact CE2-CD 4.25Å; Y76-K78 PolarHBondContact O-N 2.91Å; Y76-K78 WeakPolarHBondContact OH-CD 3.09Å; Y76-G79 PolarHBondContact O-N 3.03Å
77V96Very high97.3Very high37 Ų3742.9 Ų42.922%0.22423%0.231CC..Hα-helixtrans-57.7-27.5-171102.60000114.6S75 G79 Y80 Y81 V103 V106S75-V77 PolarHBondContact O-N 3.16Å; V77-G79 PolarHBondContact O-N 2.89Å; V77-Y80 PolarHBondContact O-N 3.4Å; V77-Y81 PolarHBondContact O-N 3.3Å; V77-V103 HydrophobicContact CG2-CG2 4.42Å; V77-V106 HydrophobicContact CB-CG1 4.32Å; V77-V106 HydrophobicContact CG2-CB 3.73Å; V77-V106 HydrophobicContact CG2-CG1 3.79Å; V77-V106 HydrophobicContact CG2-CG2 4.09Å
78K95.8Very high97.1Very high103 Ų10341.1 Ų41.145%0.44822%0.218SC..Hα-helixtrans-63.4-31.7179-74.5179.3179.9175.50111.7Y76 Y80 Y81 R82Y76-K78 HydrophobicContact CD1-CB 4.33Å; Y76-K78 HydrophobicContact CE1-CB 3.82Å; Y76-K78 HydrophobicContact CE2-CB 4.37Å; Y76-K78 HydrophobicContact CE2-CD 4.25Å; Y76-K78 PolarHBondContact O-N 2.91Å; Y76-K78 WeakPolarHBondContact OH-CD 3.09Å; K78-Y80 PolarHBondContact O-N 2.88Å; K78-Y81 WeakPolarHBondContact O-CB 3.34Å; K78-Y81 PolarHBondContact O-N 3.31Å; K78-R82 WeakPolarHBondContact O-CG 3.43Å; K78-R82 PolarHBondContact O-N 3.44Å
79G97.8Very high96.8Very high0 Ų037.2 Ų37.20%020%0.201CC..Hα-helixtrans-56.9-49.5174.400000111.8Y76 V77 Y81 R82 R83Y76-G79 PolarHBondContact O-N 3.03Å; V77-G79 PolarHBondContact O-N 2.89Å; G79-Y81 VanDerWaalsContact C-N 3.32Å; G79-Y81 PolarHBondContact O-N 2.82Å; G79-R82 PolarHBondContact O-N 2.98Å; G79-R83 PolarHBondContact O-N 3Å
80Y98.3Very high96.5Very high39 Ų3938.2 Ų38.215%0.15321%0.206CC..Hα-helixtrans-60-41.7175.2-63.6-89.2000112.2I70 S74 V77 K78 R82 R83 A84 D99 T102I70-Y80 HydrophobicContact CD1-CD1 3.85Å; I70-Y80 HydrophobicContact CD1-CD2 4.25Å; I70-Y80 HydrophobicContact CD1-CE1 4.05Å; I70-Y80 HydrophobicContact CD1-CE2 4.44Å; I70-Y80 HydrophobicContact CD1-CG 3.96Å; I70-Y80 HydrophobicContact CG1-CD1 4.44Å; I70-Y80 HydrophobicContact CG1-CD2 4.03Å; I70-Y80 HydrophobicContact CG1-CE1 4.41Å; I70-Y80 HydrophobicContact CG1-CE2 4Å; I70-Y80 HydrophobicContact CG1-CG 4.27Å; I70-Y80 HydrophobicContact CG2-CE1 4Å; I70-Y80 HydrophobicContact CG2-CE2 3.97Å; I70-Y80 WeakPolarHBondContact CG2-OH 3.47Å; S74-Y80 WeakPolarHBondContact O-CE2 3.35Å; S74-Y80 PolarHBondContact O-OH 3.47Å; V77-Y80 PolarHBondContact O-N 3.4Å; K78-Y80 PolarHBondContact O-N 2.88Å; Y80-R82 PolarHBondContact O-N 3.05Å; Y80-R83 PolarHBondContact O-N 3.12Å; Y80-A84 VanDerWaalsContact O-CB 3.27Å; Y80-A84 WeakPolarHBondContact O-CB 3.33Å; Y80-A84 PolarHBondContact O-N 3.13Å; Y80-D99 WeakPolarHBondContact CD1-OD1 3.37Å; Y80-T102 HydrophobicContact CD1-CG2 3.74Å; Y80-T102 HydrophobicContact CD2-CG2 4.25Å; Y80-T102 HydrophobicContact CE1-CG2 3.8Å; Y80-T102 HydrophobicContact CE2-CG2 4.3Å; Y80-T102 HydrophobicContact CG-CG2 3.97Å
81Y95.7Very high96.2Very high24 Ų2438.3 Ų38.39%0.09421%0.211CC..Hα-helixtrans-61.5-42.5178.3-164.7-76000112.4V77 K78 G79 S85 V103 M112 A113 K116V77-Y81 PolarHBondContact O-N 3.3Å; K78-Y81 WeakPolarHBondContact O-CB 3.34Å; K78-Y81 PolarHBondContact O-N 3.31Å; G79-Y81 VanDerWaalsContact C-N 3.32Å; G79-Y81 PolarHBondContact O-N 2.82Å; Y81-S85 PolarHBondContact O-N 3.16Å; Y81-S85 VanDerWaalsContact O-N 3.13Å; Y81-S85 PolarHBondContact O-OG 3.45Å; Y81-V103 HydrophobicContact CD2-CG1 4.07Å; Y81-V103 HydrophobicContact CD2-CG2 4.41Å; Y81-M112 VanDerWaalsContact OH-CG 3.3Å; Y81-M112 WeakPolarHBondContact OH-CG 3.16Å; Y81-M112 PolarHBondContact OH-SD 3.39Å; Y81-A113 HydrophobicContact CE2-CB 4.08Å; Y81-K116 HydrophobicContact CE1-CD 4.38Å; Y81-K116 VanDerWaalsContact CE1-NZ 3.3Å; Y81-K116 WeakPolarHBondContact OH-CD 3.29Å; Y81-K116 VanDerWaalsContact OH-CE 3.3Å; Y81-K116 WeakPolarHBondContact OH-CE 3.29Å; Y81-K116 PolarHBondContact OH-NZ 2.81Å
82R96.9Very high96Very high39 Ų3936.2 Ų36.215%0.14719%0.192CC..Hα-helixtrans-67.7-46.7176.9-60.6-49.7172.1-139.4-1.5111.6A47 S50 A66 K78 G79 Y80 A84 S85 A86A47-R82 HydrophobicContact CB-CG 4.34Å; A47-R82 WeakPolarHBondContact O-CG 3.43Å; A47-R82 PolarHBondContact O-NE 2.6Å; S50-R82 WeakPolarHBondContact OG-CB 3.37Å; A66-R82 HydrophobicContact CB-CB 3.84Å; K78-R82 WeakPolarHBondContact O-CG 3.43Å; K78-R82 PolarHBondContact O-N 3.44Å; G79-R82 PolarHBondContact O-N 2.98Å; Y80-R82 PolarHBondContact O-N 3.05Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 2.88Å; R82-S85 WeakPolarHBondContact O-CB 3.43Å; R82-S85 PolarHBondContact O-N 3.27Å; R82-A86 PolarHBondContact O-N 3.08Å
83R98.1Very high95.8Very high55 Ų5533.4 Ų33.421%0.20818%0.176CC..Hα-helixtrans-59.9-44.1178.7-157.6174.459.8-176-1.1111.4L63 A66 S67 I70 G79 Y80 S85 A86 H87 D99L63-R83 HydrophobicContact CD1-CG 3.48Å; L63-R83 VanDerWaalsContact CD1-CG 3.48Å; A66-R83 HydrophobicContact CB-CB 3.65Å; A66-R83 HydrophobicContact CB-CG 4.19Å; S67-R83 WeakPolarHBondContact OG-CD 3.48Å; I70-R83 HydrophobicContact CD1-CB 4.39Å; G79-R83 PolarHBondContact O-N 3Å; Y80-R83 PolarHBondContact O-N 3.12Å; R83-S85 VanDerWaalsContact C-N 3.3Å; R83-S85 PolarHBondContact O-N 3.22Å; R83-A86 PolarHBondContact O-N 2.91Å; R83-H87 PolarHBondContact O-CD2 2.68Å; R83-H87 PolarHBondContact O-N 3.24Å; R83-D99 WeakPolarHBondContact CB-OD2 3.34Å; R83-D99 IonicContact CZ-OD1 3.64Å; R83-D99 IonicContact CZ-OD2 2.72Å; R83-D99 IonicContact NE-OD1 3.69Å; R83-D99 IonicContact NE-OD2 3.36Å; R83-D99 PolarHBondContact NE-OD2 3.48Å; R83-D99 IonicContact NH2-OD1 2.75Å; R83-D99 PolarHBondContact NH2-OD1 2.99Å; R83-D99 IonicContact NH2-OD2 3.48Å
84A97.5Very high95.7Very high0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-59.6-38.9173.800000112.9Y80 R82 M88 A96 D99 Y100Y80-A84 VanDerWaalsContact O-CB 3.27Å; Y80-A84 WeakPolarHBondContact O-CB 3.33Å; Y80-A84 PolarHBondContact O-N 3.13Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 2.88Å; A84-M88 WeakPolarHBondContact O-CG 3.33Å; A84-M88 PolarHBondContact O-N 2.92Å; A84-A96 WeakPolarHBondContact O-CB 3.27Å; A84-D99 HydrophobicContact CB-CB 3.62Å; A84-Y100 HydrophobicContact CB-CD1 3.83Å; A84-Y100 HydrophobicContact CB-CD2 3.97Å; A84-Y100 HydrophobicContact CB-CE1 3.54Å; A84-Y100 HydrophobicContact CB-CE2 3.7Å; A84-Y100 HydrophobicContact CB-CG 4Å; A84-Y100 VanDerWaalsContact CB-CZ 3.43Å
85S95.5Very high95.7Very high2 Ų238.3 Ų38.31%0.01419%0.185CC..Hα-helixtrans-69-40.8177.9-56.80000111.2Y81 R82 R83 M88 A89 Y100Y81-S85 PolarHBondContact O-N 3.16Å; Y81-S85 VanDerWaalsContact O-N 3.13Å; Y81-S85 PolarHBondContact O-OG 3.45Å; R82-S85 WeakPolarHBondContact O-CB 3.43Å; R82-S85 PolarHBondContact O-N 3.27Å; R83-S85 VanDerWaalsContact C-N 3.3Å; R83-S85 PolarHBondContact O-N 3.22Å; S85-M88 WeakPolarHBondContact O-CB 3.39Å; S85-M88 PolarHBondContact O-N 3.42Å; S85-A89 PolarHBondContact O-N 2.7Å; S85-Y100 PolarHBondContact N-OH 3.16Å; S85-Y100 PolarHBondContact OG-OH 3.03Å
86A96.4Very high95.8Very high0 Ų034 Ų340%016%0.155CC..Hα-helixtrans-62-48.7173.900000111.5L54 A62 L63 R82 R83 M88 A89 L90L54-A86 HydrophobicContact CD2-CB 3.89Å; A62-A86 HydrophobicContact CB-CB 4.2Å; L63-A86 HydrophobicContact CB-CB 4.19Å; L63-A86 HydrophobicContact CD1-CB 4.23Å; R82-A86 PolarHBondContact O-N 3.08Å; R83-A86 PolarHBondContact O-N 2.91Å; A86-M88 VanDerWaalsContact C-N 3.3Å; A86-M88 PolarHBondContact O-N 3.3Å; A86-A89 PolarHBondContact O-N 3.49Å; A86-A89 VanDerWaalsContact O-N 3.12Å; A86-L90 WeakPolarHBondContact O-CG 3.3Å; A86-L90 PolarHBondContact O-N 3.05Å
87H96.9Very high95.8Very high21 Ų2133.9 Ų33.910%0.09716%0.157CC..Hα-helixtrans-58.5-38.6175-79.2-69.7000112.6L63 R83 L90 G91 Q92 E95 A96 D99L63-H87 VanDerWaalsContact CD1-NE2 3.32Å; L63-H87 WeakPolarHBondContact CD1-NE2 3.41Å; R83-H87 PolarHBondContact O-CD2 2.68Å; R83-H87 PolarHBondContact O-N 3.24Å; H87-L90 CarbonylContact O-C 3.09Å; H87-L90 PolarHBondContact O-N 3.3Å; H87-G91 PolarHBondContact O-N 3.37Å; H87-G91 VanDerWaalsContact O-N 3.09Å; H87-Q92 HydrophobicContact CB-CB 4.07Å; H87-Q92 WeakPolarHBondContact CB-O 3.43Å; H87-Q92 PolarHBondContact CE1-OE1 3.49Å; H87-Q92 PolarHBondContact ND1-OE1 3.04Å; H87-Q92 WeakPolarHBondContact O-CA 3.38Å; H87-Q92 PolarHBondContact O-N 2.88Å; H87-E95 HydrophobicContact CB-CB 4.37Å; H87-E95 WeakPolarHBondContact CE1-CB 3.25Å; H87-E95 VanDerWaalsContact ND1-CB 3.29Å; H87-E95 WeakPolarHBondContact ND1-CB 3.46Å; H87-A96 HydrophobicContact CB-CB 3.7Å; H87-D99 IonicContact CD2-OD2 2.75Å
88M94Very high95.9Very high5 Ų534.5 Ų34.53%0.02517%0.166CC..Hα-helixtrans-62.7-45.2174-74.6-69.3-6000112.1A84 S85 A86 L90 G91 Y93 A96 Y100 C120 I123 F486A84-M88 WeakPolarHBondContact O-CG 3.33Å; A84-M88 PolarHBondContact O-N 2.92Å; S85-M88 WeakPolarHBondContact O-CB 3.39Å; S85-M88 PolarHBondContact O-N 3.42Å; A86-M88 VanDerWaalsContact C-N 3.3Å; A86-M88 PolarHBondContact O-N 3.3Å; M88-L90 VanDerWaalsContact C-N 3.26Å; M88-L90 PolarHBondContact O-N 2.72Å; M88-G91 PolarHBondContact O-N 3.17Å; M88-G91 VanDerWaalsContact O-N 3.11Å; M88-Y93 HydrophobicContact CE-CD1 4.14Å; M88-Y93 HydrophobicContact CE-CE1 4.23Å; M88-Y93 HydrophobicContact SD-CD1 3.7Å; M88-Y93 HydrophobicContact SD-CE1 4.32Å; M88-A96 HydrophobicContact CG-CB 3.74Å; M88-A96 HydrophobicContact SD-CB 3.87Å; M88-Y100 HydrophobicContact CG-CE2 3.71Å; M88-Y100 HydrophobicContact SD-CE2 4.21Å; M88-C120 HydrophobicContact CE-CB 4.35Å; M88-C120 HydrophobicContact SD-CB 3.73Å; M88-C120 VanDerWaalsContact SD-SG 3.67Å; M88-I123 HydrophobicContact CE-CD1 3.82Å; M88-F486 HydrophobicContact CB-CB 4.28Å; M88-F486 HydrophobicContact CB-CD1 3.87Å; M88-F486 HydrophobicContact CB-CD2 4.41Å; M88-F486 HydrophobicContact CB-CE1 4.31Å; M88-F486 HydrophobicContact CB-CG 3.94Å; M88-F486 HydrophobicContact CE-CD2 4.14Å; M88-F486 HydrophobicContact CE-CE1 4.03Å; M88-F486 HydrophobicContact CE-CE2 3.66Å; M88-F486 HydrophobicContact CE-CZ 3.59Å; M88-F486 HydrophobicContact CG-CD1 3.83Å; M88-F486 HydrophobicContact CG-CE1 3.8Å; M88-F486 HydrophobicContact CG-CG 4.34Å; M88-F486 HydrophobicContact CG-CZ 4.35Å
89A92.6Very high96Very high1 Ų130 Ų301%0.00815%0.146CC..Hα-helixtrans-64-32.717800000112.2F59 S85 A86 G91 H293F59-A89 HydrophobicContact CD1-CB 3.49Å; F59-A89 VanDerWaalsContact CD1-CB 3.49Å; F59-A89 HydrophobicContact CD2-CB 4.02Å; F59-A89 HydrophobicContact CE1-CB 3.41Å; F59-A89 VanDerWaalsContact CE1-CB 3.41Å; F59-A89 HydrophobicContact CE2-CB 3.95Å; F59-A89 HydrophobicContact CG-CB 3.81Å; F59-A89 HydrophobicContact CZ-CB 3.65Å; S85-A89 PolarHBondContact O-N 2.7Å; A86-A89 PolarHBondContact O-N 3.49Å; A86-A89 VanDerWaalsContact O-N 3.12Å; A89-G91 VanDerWaalsContact C-N 3.33Å; A89-H293 PolarHBondContact O-NE2 3.27Å
90L92.7Very high96Very high22 Ų2230 Ų3012%0.11515%0.146CC..THydrogen-bonded Turntrans-81.8-4.2174.6-66.5170.6000114.1F59 L63 A86 H87 M88 Q92 R385F59-L90 HydrophobicContact CB-CD1 4.3Å; F59-L90 HydrophobicContact CB-CD2 3.89Å; F59-L90 HydrophobicContact CB-CG 3.93Å; F59-L90 HydrophobicContact CD2-CD2 4.46Å; L63-L90 HydrophobicContact CD2-CD1 4.43Å; A86-L90 WeakPolarHBondContact O-CG 3.3Å; A86-L90 PolarHBondContact O-N 3.05Å; H87-L90 CarbonylContact O-C 3.09Å; H87-L90 PolarHBondContact O-N 3.3Å; M88-L90 VanDerWaalsContact C-N 3.26Å; M88-L90 PolarHBondContact O-N 2.72Å; L90-Q92 HydrophobicContact CB-CG 3.98Å; L90-Q92 PolarHBondContact O-N 3.04Å; L90-R385 WeakPolarHBondContact CD2-O 3.19Å
91G91Very high95.9Very high18 Ų1831.7 Ų31.719%0.18616%0.156CC..THydrogen-bonded Turntrans75.77-176.700000114.9H87 M88 A89 Y93 H293H87-G91 PolarHBondContact O-N 3.37Å; H87-G91 VanDerWaalsContact O-N 3.09Å; M88-G91 PolarHBondContact O-N 3.17Å; M88-G91 VanDerWaalsContact O-N 3.11Å; A89-G91 VanDerWaalsContact C-N 3.33Å; G91-Y93 VanDerWaalsContact O-CD2 3.3Å; G91-Y93 WeakPolarHBondContact O-CD2 3.48Å; G91-Y93 PolarHBondContact O-N 2.86Å; G91-H293 PolarHBondContact N-NE2 3.25Å
92Q94.3Very high96Very high41 Ų4131.7 Ų31.719%0.19216%0.158CC..  trans-81.761.4178.6-63.3172.3-6.600110.5H87 L90 K94 E95 A96 E362H87-Q92 HydrophobicContact CB-CB 4.07Å; H87-Q92 WeakPolarHBondContact CB-O 3.43Å; H87-Q92 PolarHBondContact CE1-OE1 3.49Å; H87-Q92 PolarHBondContact ND1-OE1 3.04Å; H87-Q92 WeakPolarHBondContact O-CA 3.38Å; H87-Q92 PolarHBondContact O-N 2.88Å; L90-Q92 HydrophobicContact CB-CG 3.98Å; L90-Q92 PolarHBondContact O-N 3.04Å; Q92-K94 VanDerWaalsContact C-N 3.33Å; Q92-K94 PolarHBondContact O-N 2.91Å; Q92-E95 HydrophobicContact CB-CB 4.46Å; Q92-E95 PolarHBondContact O-N 3.29Å; Q92-E95 VanDerWaalsContact O-OE2 3.14Å; Q92-A96 PolarHBondContact O-N 3.48Å; Q92-A96 VanDerWaalsContact O-N 3.07Å; Q92-E362 PolarHBondContact NE2-OE1 3.22Å
93Y94.8Very high96Very high17 Ų1729.9 Ų29.97%0.06715%0.151CC..Hα-helixtrans-68.9-27.2-166.5-51.6-55.2000114.2M88 G91 L97 C120 I123 K127 H293M88-Y93 HydrophobicContact CE-CD1 4.14Å; M88-Y93 HydrophobicContact CE-CE1 4.23Å; M88-Y93 HydrophobicContact SD-CD1 3.7Å; M88-Y93 HydrophobicContact SD-CE1 4.32Å; G91-Y93 VanDerWaalsContact O-CD2 3.3Å; G91-Y93 WeakPolarHBondContact O-CD2 3.48Å; G91-Y93 PolarHBondContact O-N 2.86Å; Y93-L97 VanDerWaalsContact O-CB 3.31Å; Y93-L97 WeakPolarHBondContact O-CB 3.05Å; Y93-L97 PolarHBondContact O-N 3.13Å; Y93-C120 PolarHBondContact O-SG 3.41Å; Y93-I123 HydrophobicContact CD1-CG2 4.34Å; Y93-I123 HydrophobicContact CD2-CG2 3.55Å; Y93-I123 HydrophobicContact CE1-CD1 4.28Å; Y93-I123 HydrophobicContact CE1-CG2 4.11Å; Y93-I123 HydrophobicContact CE2-CG2 3.22Å; Y93-I123 HydrophobicContact CG-CG2 4.09Å; Y93-K127 HydrophobicContact CD2-CD 4.09Å; Y93-K127 HydrophobicContact CE2-CD 3.85Å; Y93-H293 PolarHBondContact OH-CE1 3.01Å; Y93-H293 PolarHBondContact OH-ND1 3.32Å
94K96Very high95.9Very high159 Ų15928.8 Ų28.869%0.69115%0.15SC*.Hα-helixtrans-69.7-39.7-179.8-70.1-178.9-179.5175.10110.9Q92 L97 A98Q92-K94 VanDerWaalsContact C-N 3.33Å; Q92-K94 PolarHBondContact O-N 2.91Å; K94-L97 WeakPolarHBondContact O-CB 3.06Å; K94-L97 PolarHBondContact O-N 3.36Å; K94-A98 PolarHBondContact O-N 2.94Å
95E97.4Very high95.9Very high92 Ų9236.9 Ų36.943%0.4318%0.18SC..Hα-helixtrans-67.1-46.8175.8-61.770.4-159.100109.6H87 Q92 L97 A98 D99H87-E95 HydrophobicContact CB-CB 4.37Å; H87-E95 WeakPolarHBondContact CE1-CB 3.25Å; H87-E95 VanDerWaalsContact ND1-CB 3.29Å; H87-E95 WeakPolarHBondContact ND1-CB 3.46Å; Q92-E95 HydrophobicContact CB-CB 4.46Å; Q92-E95 PolarHBondContact O-N 3.29Å; Q92-E95 VanDerWaalsContact O-OE2 3.14Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 2.88Å; E95-A98 PolarHBondContact O-N 3.17Å; E95-D99 PolarHBondContact O-N 3.33Å
96A97.1Very high95.8Very high0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-57.4-40.9173.500000113A84 H87 M88 Q92 A98 D99 Y100A84-A96 WeakPolarHBondContact O-CB 3.27Å; H87-A96 HydrophobicContact CB-CB 3.7Å; M88-A96 HydrophobicContact CG-CB 3.74Å; M88-A96 HydrophobicContact SD-CB 3.87Å; Q92-A96 PolarHBondContact O-N 3.48Å; Q92-A96 VanDerWaalsContact O-N 3.07Å; A96-A98 PolarHBondContact O-N 3.49Å; A96-D99 PolarHBondContact O-N 3.16Å; A96-Y100 HydrophobicContact CB-CD2 4.43Å; A96-Y100 HydrophobicContact CB-CE2 4.22Å; A96-Y100 WeakPolarHBondContact O-CD2 3.37Å; A96-Y100 PolarHBondContact O-N 3.16Å
97L97.3Very high95.7Very high36 Ų3642.4 Ų42.419%0.18822%0.216CC..Hα-helixtrans-58.8-47.6179.4-178.471.7000111.3Y93 K94 E95 D99 Y100 E101 L117 R121 I124Y93-L97 VanDerWaalsContact O-CB 3.31Å; Y93-L97 WeakPolarHBondContact O-CB 3.05Å; Y93-L97 PolarHBondContact O-N 3.13Å; K94-L97 WeakPolarHBondContact O-CB 3.06Å; K94-L97 PolarHBondContact O-N 3.36Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 2.88Å; L97-D99 VanDerWaalsContact C-N 3.3Å; L97-D99 PolarHBondContact O-N 3.1Å; L97-Y100 PolarHBondContact O-N 3.14Å; L97-E101 WeakPolarHBondContact O-CB 3.29Å; L97-E101 WeakPolarHBondContact O-CG 2.91Å; L97-E101 PolarHBondContact O-N 3.38Å; L97-L117 HydrophobicContact CD1-CD1 3.5Å; L97-L117 VanDerWaalsContact CD1-CD1 3.5Å; L97-R121 HydrophobicContact CD1-CG 3.49Å; L97-R121 VanDerWaalsContact CD1-CG 3.49Å; L97-I124 HydrophobicContact CB-CD1 3.98Å; L97-I124 HydrophobicContact CD1-CD1 4.46Å; L97-I124 HydrophobicContact CD2-CD1 3.87Å; L97-I124 HydrophobicContact CG-CD1 4.34Å
98A97.8Very high95.5Very high50 Ų5045.3 Ų45.341%0.41324%0.237SC..Hα-helixtrans-61.6-38.5-179.300000112.3K94 E95 A96 T102K94-A98 PolarHBondContact O-N 2.94Å; E95-A98 PolarHBondContact O-N 3.17Å; A96-A98 PolarHBondContact O-N 3.49Å; A98-T102 PolarHBondContact O-N 3.27Å; A98-T102 VanDerWaalsContact O-N 3.15Å; A98-T102 PolarHBondContact O-OG1 3.02Å
99D98.1Very high95.5Very high8 Ų850.1 Ų50.14%0.04327%0.271CS..Hα-helixtrans-70.8-44.3176.4-77.4-21.7000112Y80 R83 A84 H87 E95 A96 L97 E101 T102 V103Y80-D99 WeakPolarHBondContact CD1-OD1 3.37Å; R83-D99 WeakPolarHBondContact CB-OD2 3.34Å; R83-D99 IonicContact CZ-OD1 3.64Å; R83-D99 IonicContact CZ-OD2 2.72Å; R83-D99 IonicContact NE-OD1 3.69Å; R83-D99 IonicContact NE-OD2 3.36Å; R83-D99 PolarHBondContact NE-OD2 3.48Å; R83-D99 IonicContact NH2-OD1 2.75Å; R83-D99 PolarHBondContact NH2-OD1 2.99Å; R83-D99 IonicContact NH2-OD2 3.48Å; A84-D99 HydrophobicContact CB-CB 3.62Å; H87-D99 IonicContact CD2-OD2 2.75Å; E95-D99 PolarHBondContact O-N 3.33Å; A96-D99 PolarHBondContact O-N 3.16Å; L97-D99 VanDerWaalsContact C-N 3.3Å; L97-D99 PolarHBondContact O-N 3.1Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-E101 PolarHBondContact O-N 3.2Å; D99-T102 WeakPolarHBondContact O-CA 3.12Å; D99-T102 WeakPolarHBondContact O-CB 3.48Å; D99-T102 PolarHBondContact O-N 3.48Å; D99-T102 VanDerWaalsContact O-N 3.09Å; D99-V103 WeakPolarHBondContact O-CG2 3.28Å; D99-V103 PolarHBondContact O-N 3.38Å
100Y97Very high95.5Very high0 Ų052.7 Ų52.70%029%0.285CS..Hα-helixtrans-62.3-36.5175.3-75.8-50.2000112.9A84 S85 M88 A96 L97 T102 V103 I104 K116 C120 F486A84-Y100 HydrophobicContact CB-CD1 3.83Å; A84-Y100 HydrophobicContact CB-CD2 3.97Å; A84-Y100 HydrophobicContact CB-CE1 3.54Å; A84-Y100 HydrophobicContact CB-CE2 3.7Å; A84-Y100 HydrophobicContact CB-CG 4Å; A84-Y100 VanDerWaalsContact CB-CZ 3.43Å; S85-Y100 PolarHBondContact N-OH 3.16Å; S85-Y100 PolarHBondContact OG-OH 3.03Å; M88-Y100 HydrophobicContact CG-CE2 3.71Å; M88-Y100 HydrophobicContact SD-CE2 4.21Å; A96-Y100 HydrophobicContact CB-CD2 4.43Å; A96-Y100 HydrophobicContact CB-CE2 4.22Å; A96-Y100 WeakPolarHBondContact O-CD2 3.37Å; A96-Y100 PolarHBondContact O-N 3.16Å; L97-Y100 PolarHBondContact O-N 3.14Å; Y100-T102 VanDerWaalsContact C-N 3.29Å; Y100-T102 PolarHBondContact O-N 3.3Å; Y100-V103 PolarHBondContact O-N 3.48Å; Y100-I104 WeakPolarHBondContact O-CG1 3.13Å; Y100-I104 PolarHBondContact O-N 3.28Å; Y100-K116 HydrophobicContact CD1-CB 4.22Å; Y100-K116 HydrophobicContact CE1-CB 3.76Å; Y100-K116 HydrophobicContact CE1-CD 3.85Å; Y100-K116 HydrophobicContact CE1-CG 4.46Å; Y100-K116 HydrophobicContact CE2-CB 4.24Å; Y100-C120 HydrophobicContact CD2-CB 4.32Å; Y100-F486 HydrophobicContact CE2-CE1 4.14Å; Y100-F486 AromaticContact CZ-CE1 3.81Å; Y100-F486 WeakPolarHBondContact OH-CD1 3.47Å; Y100-F486 WeakPolarHBondContact OH-CE1 3.46Å
101E97.2Very high95.5Very high75 Ų7558.4 Ų58.435%0.3531%0.309SS..Hα-helixtrans-64.8-35.8174-74.1-179.7164.900111.8L97 D99 R105 L117 R121L97-E101 WeakPolarHBondContact O-CB 3.29Å; L97-E101 WeakPolarHBondContact O-CG 2.91Å; L97-E101 PolarHBondContact O-N 3.38Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-E101 PolarHBondContact O-N 3.2Å; E101-R105 WeakPolarHBondContact O-CB 3.33Å; E101-R105 PolarHBondContact O-N 2.85Å; E101-L117 HydrophobicContact CG-CD1 3.83Å; E101-L117 HydrophobicContact CG-CD2 4.48Å; E101-R121 IonicContact OE1-CZ 2.92Å; E101-R121 IonicContact OE1-NE 3.64Å; E101-R121 IonicContact OE1-NH2 3.47Å; E101-R121 PolarHBondContact OE1-NH2 2.99Å
102T97.3Very high95.5Very high24 Ų2461.9 Ų61.915%0.14732%0.321CS..Hα-helixtrans-66.3-44.2172.1-66.60000112.1Y80 A98 D99 Y100 I104 R105 V106Y80-T102 HydrophobicContact CD1-CG2 3.74Å; Y80-T102 HydrophobicContact CD2-CG2 4.25Å; Y80-T102 HydrophobicContact CE1-CG2 3.8Å; Y80-T102 HydrophobicContact CE2-CG2 4.3Å; Y80-T102 HydrophobicContact CG-CG2 3.97Å; A98-T102 PolarHBondContact O-N 3.27Å; A98-T102 VanDerWaalsContact O-N 3.15Å; A98-T102 PolarHBondContact O-OG1 3.02Å; D99-T102 WeakPolarHBondContact O-CA 3.12Å; D99-T102 WeakPolarHBondContact O-CB 3.48Å; D99-T102 PolarHBondContact O-N 3.48Å; D99-T102 VanDerWaalsContact O-N 3.09Å; Y100-T102 VanDerWaalsContact C-N 3.29Å; Y100-T102 PolarHBondContact O-N 3.3Å; T102-I104 PolarHBondContact O-N 2.89Å; T102-R105 PolarHBondContact O-N 3.28Å; T102-R105 PolarHBondContact OG1-NH2 3.43Å; T102-V106 PolarHBondContact O-N 3.49Å
103V96.7Very high95.4Very high1 Ų160 Ų601%0.00631%0.312CS..Hα-helixtrans-57.7-49.5174.9173.80000111.1V77 Y81 D99 Y100 R105 V106 A107 A113V77-V103 HydrophobicContact CG2-CG2 4.42Å; Y81-V103 HydrophobicContact CD2-CG1 4.07Å; Y81-V103 HydrophobicContact CD2-CG2 4.41Å; D99-V103 WeakPolarHBondContact O-CG2 3.28Å; D99-V103 PolarHBondContact O-N 3.38Å; Y100-V103 PolarHBondContact O-N 3.48Å; V103-R105 VanDerWaalsContact C-N 3.33Å; V103-R105 PolarHBondContact O-N 3.23Å; V103-V106 PolarHBondContact O-N 3.04Å; V103-A107 PolarHBondContact O-N 2.62Å; V103-A113 HydrophobicContact CG1-CB 3.63Å
104I96.5Very high95.4Very high33 Ų3365.2 Ų65.217%0.16933%0.332CS..Hα-helixtrans-66.7-33.1-178.4-71.9-63.5000112.7Y100 T102 V106 A107 P108 A113 R114 L117Y100-I104 WeakPolarHBondContact O-CG1 3.13Å; Y100-I104 PolarHBondContact O-N 3.28Å; T102-I104 PolarHBondContact O-N 2.89Å; I104-V106 VanDerWaalsContact C-N 3.29Å; I104-V106 PolarHBondContact O-N 3.32Å; I104-A107 CarbonylContact O-C 3.57Å; I104-P108 WeakPolarHBondContact O-CA 3.44Å; I104-P108 VanDerWaalsContact O-N 3.14Å; I104-A113 HydrophobicContact CD1-CB 3.67Å; I104-A113 HydrophobicContact CG1-CB 4.26Å; I104-R114 HydrophobicContact CD1-CB 3.99Å; I104-L117 HydrophobicContact CG1-CD2 4.01Å
105R96.5Very high95.2Very high170 Ų17061 Ų6164%0.64231%0.314SS*.Hα-helixtrans-62.6-37.3174.8-177.3172.961.7-107.3-0.2112E101 T102 V103E101-R105 WeakPolarHBondContact O-CB 3.33Å; E101-R105 PolarHBondContact O-N 2.85Å; T102-R105 PolarHBondContact O-N 3.28Å; T102-R105 PolarHBondContact OG1-NH2 3.43Å; V103-R105 VanDerWaalsContact C-N 3.33Å; V103-R105 PolarHBondContact O-N 3.23Å
106V95Very high95Very high91 Ų9157 Ų5755%0.55230%0.296SS*.Hα-helixtrans-84.1-40.3-179.6175.60000111.9V77 T102 V103 I104 P108V77-V106 HydrophobicContact CB-CG1 4.32Å; V77-V106 HydrophobicContact CG2-CB 3.73Å; V77-V106 HydrophobicContact CG2-CG1 3.79Å; V77-V106 HydrophobicContact CG2-CG2 4.09Å; T102-V106 PolarHBondContact O-N 3.49Å; V103-V106 PolarHBondContact O-N 3.04Å; I104-V106 VanDerWaalsContact C-N 3.29Å; I104-V106 PolarHBondContact O-N 3.32Å; V106-P108 WeakPolarHBondContact O-CD 3.34Å
107A93.5Very high94.9Very high27 Ų2757.5 Ų57.522%0.22330%0.298CS..  trans-124.971.5-177.600000110.9V103 I104 S109 D110V103-A107 PolarHBondContact O-N 2.62Å; I104-A107 CarbonylContact O-C 3.57Å; A107-S109 PolarHBondContact O-N 2.74Å; A107-S109 VanDerWaalsContact O-N 3.1Å; A107-D110 HydrophobicContact CB-CB 4.17Å; A107-D110 WeakPolarHBondContact O-CB 3.43Å; A107-D110 PolarHBondContact O-N 3Å
108P93.6Very high94.7Very high81 Ų8159.8 Ų59.853%0.52631%0.314SS..THydrogen-bonded Turntrans-64.8-20-173.224.9-35.1000113.8I104 V106 R114I104-P108 WeakPolarHBondContact O-CA 3.44Å; I104-P108 VanDerWaalsContact O-N 3.14Å; V106-P108 WeakPolarHBondContact O-CD 3.34Å; P108-R114 PolarHBondContact O-NH2 2.8Å
109S93.7Very high94.5Very high107 Ų10758.3 Ų58.375%0.74830%0.298SS*.THydrogen-bonded Turntrans-84.7-6.5176.354.60000114.2A107 K111A107-S109 PolarHBondContact O-N 2.74Å; A107-S109 VanDerWaalsContact O-N 3.1Å; S109-K111 PolarHBondContact O-N 3.44Å
110D92.9Very high94.3Very high54 Ų5457.9 Ų57.929%0.28930%0.296SS..  trans-68.4102.7178.8-171.8-28.6000110.5A107 M112 A113 R114A107-D110 HydrophobicContact CB-CB 4.17Å; A107-D110 WeakPolarHBondContact O-CB 3.43Å; A107-D110 PolarHBondContact O-N 3Å; D110-M112 PolarHBondContact OD1-N 3.03Å; D110-A113 HydrophobicContact CB-CB 3.86Å; D110-A113 VanDerWaalsContact CG-CB 3.49Å; D110-A113 PolarHBondContact OD1-N 2.83Å; D110-R114 PolarHBondContact O-N 2.86Å
111K92.9Very high94.3Very high142 Ų14263.6 Ų63.662%0.61732%0.318SS*.Hα-helixtrans-63.3-42.6-179.4-177.5-178.3169.9-1730111.6S109 R114 E115S109-K111 PolarHBondContact O-N 3.44Å; K111-R114 WeakPolarHBondContact O-CB 3.4Å; K111-R114 PolarHBondContact O-N 3.34Å; K111-E115 WeakPolarHBondContact CE-OE1 3.29Å; K111-E115 IonicContact NZ-OE1 3.73Å; K111-E115 WeakPolarHBondContact O-CG 3.39Å; K111-E115 PolarHBondContact O-N 2.93Å
112M90.1Very high94.1Very high92 Ų9266 Ų6645%0.45333%0.327SS..Hα-helixtrans-69.1-43.1-175.9-171.9-178.2-74.100110.6Y81 D110 R114 E115 K116Y81-M112 VanDerWaalsContact OH-CG 3.3Å; Y81-M112 WeakPolarHBondContact OH-CG 3.16Å; Y81-M112 PolarHBondContact OH-SD 3.39Å; D110-M112 PolarHBondContact OD1-N 3.03Å; M112-R114 PolarHBondContact O-N 2.86Å; M112-E115 PolarHBondContact O-N 2.89Å; M112-K116 WeakPolarHBondContact O-CB 3.41Å; M112-K116 WeakPolarHBondContact O-CG 3.3Å; M112-K116 PolarHBondContact O-N 2.6Å
113A91.8Very high93.9Very high0 Ų065.6 Ų65.60%032%0.324CS..Hα-helixtrans-58.8-36.4173.200000111.9Y81 V103 I104 D110 L117Y81-A113 HydrophobicContact CE2-CB 4.08Å; V103-A113 HydrophobicContact CG1-CB 3.63Å; I104-A113 HydrophobicContact CD1-CB 3.67Å; I104-A113 HydrophobicContact CG1-CB 4.26Å; D110-A113 HydrophobicContact CB-CB 3.86Å; D110-A113 VanDerWaalsContact CG-CB 3.49Å; D110-A113 PolarHBondContact OD1-N 2.83Å; A113-L117 WeakPolarHBondContact O-CB 3.37Å; A113-L117 PolarHBondContact O-N 2.77Å
114R94.2Very high93.8Very high128 Ų12867.6 Ų67.648%0.48333%0.334SS..Hα-helixtrans-71.3-40.7-179.8-168.9-175.1-60.2151.50.1112I104 P108 D110 K111 M112 L117 T118I104-R114 HydrophobicContact CD1-CB 3.99Å; P108-R114 PolarHBondContact O-NH2 2.8Å; D110-R114 PolarHBondContact O-N 2.86Å; K111-R114 WeakPolarHBondContact O-CB 3.4Å; K111-R114 PolarHBondContact O-N 3.34Å; M112-R114 PolarHBondContact O-N 2.86Å; R114-L117 PolarHBondContact O-N 3.16Å; R114-T118 WeakPolarHBondContact O-CB 3.28Å; R114-T118 PolarHBondContact O-N 3.02Å; R114-T118 PolarHBondContact O-OG1 3.05Å; R114-T118 VanDerWaalsContact O-OG1 3.08Å
115E93Very high93.8Very high69 Ų6975.8 Ų75.832%0.32236%0.363SS..Hα-helixtrans-62.2-46.3175-73.1170.8172.600110.6K111 M112 L117 T118 E119 L482K111-E115 WeakPolarHBondContact CE-OE1 3.29Å; K111-E115 IonicContact NZ-OE1 3.73Å; K111-E115 WeakPolarHBondContact O-CG 3.39Å; K111-E115 PolarHBondContact O-N 2.93Å; M112-E115 PolarHBondContact O-N 2.89Å; E115-L117 PolarHBondContact O-N 2.77Å; E115-T118 PolarHBondContact O-N 2.93Å; E115-E119 PolarHBondContact O-N 2.78Å; E115-L482 HydrophobicContact CB-CD2 4.35Å
116K92.6Very high93.5Very high9 Ų971.7 Ų71.74%0.03935%0.348CS..Hα-helixtrans-59.8-44.5174.6-73.9-173167.5-175.10113.2Y81 Y100 M112 E119 C120 M485 F486Y81-K116 HydrophobicContact CE1-CD 4.38Å; Y81-K116 VanDerWaalsContact CE1-NZ 3.3Å; Y81-K116 WeakPolarHBondContact OH-CD 3.29Å; Y81-K116 VanDerWaalsContact OH-CE 3.3Å; Y81-K116 WeakPolarHBondContact OH-CE 3.29Å; Y81-K116 PolarHBondContact OH-NZ 2.81Å; Y100-K116 HydrophobicContact CD1-CB 4.22Å; Y100-K116 HydrophobicContact CE1-CB 3.76Å; Y100-K116 HydrophobicContact CE1-CD 3.85Å; Y100-K116 HydrophobicContact CE1-CG 4.46Å; Y100-K116 HydrophobicContact CE2-CB 4.24Å; M112-K116 WeakPolarHBondContact O-CB 3.41Å; M112-K116 WeakPolarHBondContact O-CG 3.3Å; M112-K116 PolarHBondContact O-N 2.6Å; K116-E119 PolarHBondContact O-N 2.8Å; K116-C120 WeakPolarHBondContact O-CB 3.25Å; K116-C120 PolarHBondContact O-N 3.07Å; K116-M485 VanDerWaalsContact CE-O 3.27Å; K116-M485 WeakPolarHBondContact CE-O 2.87Å; K116-M485 PolarHBondContact NZ-O 3.13Å; K116-F486 HydrophobicContact CB-CE1 3.68Å; K116-F486 HydrophobicContact CB-CZ 4Å; K116-F486 HydrophobicContact CD-CD1 3.92Å; K116-F486 HydrophobicContact CD-CE1 3.5Å; K116-F486 VanDerWaalsContact CD-CE1 3.5Å; K116-F486 HydrophobicContact CD-CZ 4.33Å; K116-F486 HydrophobicContact CG-CD1 4.24Å; K116-F486 HydrophobicContact CG-CE1 3.37Å; K116-F486 HydrophobicContact CG-CZ 3.73Å
117L94.8Very high93.2Very high10 Ų1071.2 Ų71.25%0.05234%0.338CS..Hα-helixtrans-60.6-45.5175.6178.464.4000111.8L97 E101 I104 A113 R114 E115 C120 R121L97-L117 HydrophobicContact CD1-CD1 3.5Å; L97-L117 VanDerWaalsContact CD1-CD1 3.5Å; E101-L117 HydrophobicContact CG-CD1 3.83Å; E101-L117 HydrophobicContact CG-CD2 4.48Å; I104-L117 HydrophobicContact CG1-CD2 4.01Å; A113-L117 WeakPolarHBondContact O-CB 3.37Å; A113-L117 PolarHBondContact O-N 2.77Å; R114-L117 PolarHBondContact O-N 3.16Å; E115-L117 PolarHBondContact O-N 2.77Å; L117-C120 PolarHBondContact O-N 2.92Å; L117-R121 WeakPolarHBondContact O-CG 3.45Å; L117-R121 PolarHBondContact O-N 2.87Å
118T94.7Very high93.2Very high85 Ų8572.7 Ų72.752%0.52135%0.35SS..Hα-helixtrans-61.7-44.8177.8-67.40000111.5R114 E115 R121 K122R114-T118 WeakPolarHBondContact O-CB 3.28Å; R114-T118 PolarHBondContact O-N 3.02Å; R114-T118 PolarHBondContact O-OG1 3.05Å; R114-T118 VanDerWaalsContact O-OG1 3.08Å; E115-T118 PolarHBondContact O-N 2.93Å; T118-R121 PolarHBondContact O-N 2.88Å; T118-K122 WeakPolarHBondContact O-CB 3.48Å; T118-K122 PolarHBondContact O-N 2.85Å
119E92.2Very high93Very high18 Ų1875.1 Ų75.18%0.08435%0.353CS..Hα-helixtrans-66-43178.4-170.459.6-158.700111.5E115 K116 R121 K122 I123E115-E119 PolarHBondContact O-N 2.78Å; K116-E119 PolarHBondContact O-N 2.8Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 3.05Å; E119-K122 WeakPolarHBondContact O-CB 3.38Å; E119-K122 PolarHBondContact O-N 3.48Å; E119-K122 VanDerWaalsContact O-N 3.11Å; E119-K122 IonicContact OE1-NZ 3.76Å; E119-K122 WeakPolarHBondContact OE2-CD 3.34Å; E119-K122 IonicContact OE2-NZ 3.7Å; E119-I123 HydrophobicContact CG-CD1 4.26Å; E119-I123 WeakPolarHBondContact O-CG1 3.5Å; E119-I123 PolarHBondContact O-N 3.14Å
120C94.6Very high92.7Very high0 Ų072.8 Ų72.80%033%0.33CS..Hα-helixtrans-54.5-48.4173.3-176.90000111.6M88 Y93 Y100 K116 L117 K122 I123 I124M88-C120 HydrophobicContact CE-CB 4.35Å; M88-C120 HydrophobicContact SD-CB 3.73Å; M88-C120 VanDerWaalsContact SD-SG 3.67Å; Y93-C120 PolarHBondContact O-SG 3.41Å; Y100-C120 HydrophobicContact CD2-CB 4.32Å; K116-C120 WeakPolarHBondContact O-CB 3.25Å; K116-C120 PolarHBondContact O-N 3.07Å; L117-C120 PolarHBondContact O-N 2.92Å; C120-K122 VanDerWaalsContact C-N 3.34Å; C120-K122 PolarHBondContact O-N 3.16Å; C120-I123 PolarHBondContact O-N 3.25Å; C120-I124 WeakPolarHBondContact O-CG1 3.41Å; C120-I124 PolarHBondContact O-N 2.85Å
121R96.5Very high92.3Very high120 Ų12078.7 Ų78.745%0.45335%0.353SS..Hα-helixtrans-61.1-39.9176.2-75177.4173.3164.4-0.7112.8L97 E101 L117 T118 E119 I124 R125L97-R121 HydrophobicContact CD1-CG 3.49Å; L97-R121 VanDerWaalsContact CD1-CG 3.49Å; E101-R121 IonicContact OE1-CZ 2.92Å; E101-R121 IonicContact OE1-NE 3.64Å; E101-R121 IonicContact OE1-NH2 3.47Å; E101-R121 PolarHBondContact OE1-NH2 2.99Å; L117-R121 WeakPolarHBondContact O-CG 3.45Å; L117-R121 PolarHBondContact O-N 2.87Å; T118-R121 PolarHBondContact O-N 2.88Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 3.05Å; R121-I124 PolarHBondContact O-N 2.86Å; R121-R125 VanDerWaalsContact O-CB 3.32Å; R121-R125 WeakPolarHBondContact O-CB 3.29Å; R121-R125 PolarHBondContact O-N 2.98Å
122K94.1Very high92.1Very high126 Ų12676 Ų7655%0.54836%0.357SS..Hα-helixtrans-62.5-44.4177.2-178.9-171.3170.8-162.70111T118 E119 C120 R125 R126T118-K122 WeakPolarHBondContact O-CB 3.48Å; T118-K122 PolarHBondContact O-N 2.85Å; E119-K122 WeakPolarHBondContact O-CB 3.38Å; E119-K122 PolarHBondContact O-N 3.48Å; E119-K122 VanDerWaalsContact O-N 3.11Å; E119-K122 IonicContact OE1-NZ 3.76Å; E119-K122 WeakPolarHBondContact OE2-CD 3.34Å; E119-K122 IonicContact OE2-NZ 3.7Å; C120-K122 VanDerWaalsContact C-N 3.34Å; C120-K122 PolarHBondContact O-N 3.16Å; K122-R125 PolarHBondContact O-N 2.94Å; K122-R126 WeakPolarHBondContact O-CB 3.33Å; K122-R126 PolarHBondContact O-N 2.81Å
123I92.3Very high91.8Very high14 Ų1476.3 Ų76.37%0.07236%0.36CS..Hα-helixtrans-64-46.6177.3-64166.1000110.9M88 Y93 E119 C120 R125 R126 K127 L483M88-I123 HydrophobicContact CE-CD1 3.82Å; Y93-I123 HydrophobicContact CD1-CG2 4.34Å; Y93-I123 HydrophobicContact CD2-CG2 3.55Å; Y93-I123 HydrophobicContact CE1-CD1 4.28Å; Y93-I123 HydrophobicContact CE1-CG2 4.11Å; Y93-I123 HydrophobicContact CE2-CG2 3.22Å; Y93-I123 HydrophobicContact CG-CG2 4.09Å; E119-I123 HydrophobicContact CG-CD1 4.26Å; E119-I123 WeakPolarHBondContact O-CG1 3.5Å; E119-I123 PolarHBondContact O-N 3.14Å; C120-I123 PolarHBondContact O-N 3.25Å; I123-R125 PolarHBondContact O-N 3.11Å; I123-R126 PolarHBondContact O-N 2.89Å; I123-K127 PolarHBondContact O-N 2.73Å; I123-L483 HydrophobicContact CD1-CD2 4.2Å
124I94.9Very high91.1Very high44 Ų4479.8 Ų79.823%0.22639%0.388CS..Hα-helixtrans-58.9-48.1177.2-68.5168.3000110.8L97 C120 R121 R126 K127 A128L97-I124 HydrophobicContact CB-CD1 3.98Å; L97-I124 HydrophobicContact CD1-CD1 4.46Å; L97-I124 HydrophobicContact CD2-CD1 3.87Å; L97-I124 HydrophobicContact CG-CD1 4.34Å; C120-I124 WeakPolarHBondContact O-CG1 3.41Å; C120-I124 PolarHBondContact O-N 2.85Å; R121-I124 PolarHBondContact O-N 2.86Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 2.94Å; I124-K127 PolarHBondContact O-N 3.31Å; I124-A128 WeakPolarHBondContact O-CB 3.5Å; I124-A128 PolarHBondContact O-N 2.93Å
125R95.6Very high90Very high204 Ų20478.1 Ų78.177%0.7739%0.392SS*.Hα-helixtrans-62-41.5179.2-175.8178.8178.6-177-0.6111.6R121 K122 I123 A128 F129R121-R125 VanDerWaalsContact O-CB 3.32Å; R121-R125 WeakPolarHBondContact O-CB 3.29Å; R121-R125 PolarHBondContact O-N 2.98Å; K122-R125 PolarHBondContact O-N 2.94Å; I123-R125 PolarHBondContact O-N 3.11Å; R125-A128 PolarHBondContact O-N 3.5Å; R125-F129 WeakPolarHBondContact O-CB 3.14Å; R125-F129 PolarHBondContact O-N 2.83Å
126R91Very high88.7Confident85 Ų8583.4 Ų83.432%0.32142%0.417SS..Hα-helixtrans-60.7-54175.5178-176.3172.3-176.3-0.5110.9K122 I123 I124 A128 F129 E130 R296 E301K122-R126 WeakPolarHBondContact O-CB 3.33Å; K122-R126 PolarHBondContact O-N 2.81Å; I123-R126 PolarHBondContact O-N 2.89Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 2.94Å; R126-A128 VanDerWaalsContact C-N 3.28Å; R126-A128 PolarHBondContact O-N 3.38Å; R126-F129 WeakPolarHBondContact O-CB 3.47Å; R126-F129 PolarHBondContact O-N 3.36Å; R126-E130 HydrophobicContact CG-CG 4.34Å; R126-E130 WeakPolarHBondContact CG-OE1 3.45Å; R126-E130 IonicContact CZ-OE1 3.69Å; R126-E130 VanDerWaalsContact CZ-OE1 3.31Å; R126-E130 IonicContact NE-OE1 3.05Å; R126-E130 PolarHBondContact NE-OE1 2.99Å; R126-E130 IonicContact NE-OE2 3.31Å; R126-E130 IonicContact NH2-OE1 2.69Å; R126-E130 PolarHBondContact NH2-OE1 3.03Å; R126-E130 WeakPolarHBondContact O-CG 3.38Å; R126-E130 PolarHBondContact O-N 2.83Å; R126-R296 VanDerWaalsContact CZ-CZ 3.44Å; R126-R296 VanDerWaalsContact NH1-CZ 3.32Å; R126-E301 IonicContact NH1-OE1 3.3Å
127K89.4Confident87.4Confident80 Ų8090.7 Ų90.735%0.34846%0.456SS..Hα-helixtrans-58.1-40.6178.4-80.6-168.6163.1-175.90112.2Y93 I123 I124 K131Y93-K127 HydrophobicContact CD2-CD 4.09Å; Y93-K127 HydrophobicContact CE2-CD 3.85Å; I123-K127 PolarHBondContact O-N 2.73Å; I124-K127 PolarHBondContact O-N 3.31Å; K127-K131 VanDerWaalsContact O-CB 3.28Å; K127-K131 WeakPolarHBondContact O-CB 3.24Å; K127-K131 PolarHBondContact O-N 3.31Å
128A91.6Very high86.1Confident58 Ų5896.9 Ų96.948%0.47949%0.485SS..Hα-helixtrans-65-40176.100000112.1I124 R125 R126 A132I124-A128 WeakPolarHBondContact O-CB 3.5Å; I124-A128 PolarHBondContact O-N 2.93Å; R125-A128 PolarHBondContact O-N 3.5Å; R126-A128 VanDerWaalsContact C-N 3.28Å; R126-A128 PolarHBondContact O-N 3.38Å; A128-A132 WeakPolarHBondContact O-CB 3.48Å; A128-A132 PolarHBondContact O-N 3.41Å
129F90.5Very high85.1Confident132 Ų13296.7 Ų96.758%0.57949%0.485SS*.Hα-helixtrans-66.6-48.8175.5-177.5-96.7000111.7R125 R126 K131 A132 I133R125-F129 WeakPolarHBondContact O-CB 3.14Å; R125-F129 PolarHBondContact O-N 2.83Å; R126-F129 WeakPolarHBondContact O-CB 3.47Å; R126-F129 PolarHBondContact O-N 3.36Å; F129-K131 VanDerWaalsContact C-N 3.31Å; F129-K131 PolarHBondContact O-N 3.27Å; F129-A132 WeakPolarHBondContact O-CB 3.31Å; F129-A132 PolarHBondContact O-N 3.46Å; F129-I133 HydrophobicContact CD1-CD1 4.2Å; F129-I133 HydrophobicContact CE1-CD1 3.79Å; F129-I133 HydrophobicContact CE1-CG2 4.14Å; F129-I133 HydrophobicContact CE2-CG2 4.26Å; F129-I133 HydrophobicContact CZ-CG2 3.97Å; F129-I133 WeakPolarHBondContact O-CG1 3.48Å; F129-I133 PolarHBondContact O-N 2.81Å
130E86.1Confident84.5Confident59 Ų5996.3 Ų96.328%0.27649%0.485SS..Hα-helixtrans-54.9-47175.6-73.4168.3165.400110.7R126 A132 I133 A134 R296R126-E130 HydrophobicContact CG-CG 4.34Å; R126-E130 WeakPolarHBondContact CG-OE1 3.45Å; R126-E130 IonicContact CZ-OE1 3.69Å; R126-E130 VanDerWaalsContact CZ-OE1 3.31Å; R126-E130 IonicContact NE-OE1 3.05Å; R126-E130 PolarHBondContact NE-OE1 2.99Å; R126-E130 IonicContact NE-OE2 3.31Å; R126-E130 IonicContact NH2-OE1 2.69Å; R126-E130 PolarHBondContact NH2-OE1 3.03Å; R126-E130 WeakPolarHBondContact O-CG 3.38Å; R126-E130 PolarHBondContact O-N 2.83Å; E130-A132 VanDerWaalsContact C-N 3.3Å; E130-A132 PolarHBondContact O-N 3.36Å; E130-I133 WeakPolarHBondContact O-CG1 3.49Å; E130-I133 PolarHBondContact O-N 3.26Å; E130-A134 WeakPolarHBondContact O-CB 3.33Å; E130-A134 PolarHBondContact O-N 3.48Å; E130-R296 IonicContact OE1-NH2 2.64Å; E130-R296 IonicContact OE2-NH2 3.26Å
131K86.5Confident83.8Confident178 Ų17899.2 Ų99.277%0.77450%0.504SS*.Hα-helixtrans-62.7-33.4175.5-175.2173.3-178.8173.30113.4K127 F129K127-K131 VanDerWaalsContact O-CB 3.28Å; K127-K131 WeakPolarHBondContact O-CB 3.24Å; K127-K131 PolarHBondContact O-N 3.31Å; F129-K131 VanDerWaalsContact C-N 3.31Å; F129-K131 PolarHBondContact O-N 3.27Å
132A87.9Confident83.2Confident85 Ų8593.6 Ų93.670%0.70248%0.482SS*.Hα-helixtrans-77-26.2-179.500000113.3A128 F129 E130A128-A132 WeakPolarHBondContact O-CB 3.48Å; A128-A132 PolarHBondContact O-N 3.41Å; F129-A132 WeakPolarHBondContact O-CB 3.31Å; F129-A132 PolarHBondContact O-N 3.46Å; E130-A132 VanDerWaalsContact C-N 3.3Å; E130-A132 PolarHBondContact O-N 3.36Å
133I83.8Confident82.6Confident98 Ų9891.2 Ų91.250%0.50347%0.473SS..Hα-helixtrans-97.8-11.2176.767.5169.2000113.2F129 E130 V135F129-I133 HydrophobicContact CD1-CD1 4.2Å; F129-I133 HydrophobicContact CE1-CD1 3.79Å; F129-I133 HydrophobicContact CE1-CG2 4.14Å; F129-I133 HydrophobicContact CE2-CG2 4.26Å; F129-I133 HydrophobicContact CZ-CG2 3.97Å; F129-I133 WeakPolarHBondContact O-CG1 3.48Å; F129-I133 PolarHBondContact O-N 2.81Å; E130-I133 WeakPolarHBondContact O-CG1 3.49Å; E130-I133 PolarHBondContact O-N 3.26Å; I133-V135 PolarHBondContact O-N 3.27Å; I133-V135 VanDerWaalsContact O-N 3.08Å
134A76.3Confident82Confident73 Ų7395.1 Ų95.160%0.60350%0.502SS*.  trans-58114.7176.300000109.3E130E130-A134 WeakPolarHBondContact O-CB 3.33Å; E130-A134 PolarHBondContact O-N 3.48Å
135V71.8Confident81.1Confident94 Ų9495.7 Ų95.757%0.5750%0.503SS*.  trans-92.3132.3167.6-172.70000106.2I133 D137 Q138I133-V135 PolarHBondContact O-N 3.27Å; I133-V135 VanDerWaalsContact O-N 3.08Å; V135-D137 PolarHBondContact O-N 2.97Å; V135-Q138 HydrophobicContact CB-CG 3.77Å; V135-Q138 HydrophobicContact CG2-CG 4.41Å
136E66Low80.3Confident180 Ų18090.2 Ų90.284%0.84149%0.489SS*.THydrogen-bonded Turntrans-54.7131.1172-66.1179173.300108.6Q138E136-Q138 PolarHBondContact O-N 2.66Å
137D64.7Low79.8Confident161 Ų16187.8 Ų87.886%0.86148%0.482SS*.THydrogen-bonded Turntrans62.336.8176.3-54-38000117V135V135-D137 PolarHBondContact O-N 2.97Å
138Q68.1Low79.2Confident140 Ų14088.4 Ų88.465%0.65450%0.496SS*.PPolyproline II helixtrans-60.8129165.5-71.7-155.9-17.300110.6V135 E136V135-Q138 HydrophobicContact CB-CG 3.77Å; V135-Q138 HydrophobicContact CG2-CG 4.41Å; E136-Q138 PolarHBondContact O-N 2.66Å
139P73.3Confident78.7Confident81 Ų8190.3 Ų90.353%0.52650%0.502SS..PPolyproline II helixtrans-62.4140.8171.526.4-32.5000109.3E143P139-E143 HydrophobicContact CB-CB 4.38Å; P139-E143 WeakPolarHBondContact CB-OE2 3.18Å
140S79.7Confident78.6Confident10 Ų1085.2 Ų85.27%0.0748%0.481CS..PPolyproline II helixtrans-57.7145.8177.5174.10000109.9L142 E143 F202 D318S140-L142 PolarHBondContact O-N 3.37Å; S140-L142 PolarHBondContact OG-N 3.38Å; S140-E143 PolarHBondContact N-OE1 3.28Å; S140-E143 WeakPolarHBondContact O-CB 3.26Å; S140-E143 PolarHBondContact O-N 3.14Å; S140-F202 VanDerWaalsContact CB-CZ 3.43Å; S140-D318 WeakPolarHBondContact CB-OD2 3.22Å; S140-D318 PolarHBondContact OG-OD2 3.22Å
141P79.1Confident78.8Confident62 Ų6287.5 Ų87.540%0.40350%0.499SS..Hα-helixtrans-50.3-28.6170.2-27.936000113.1E143 S144 F145 M315 D318P141-E143 PolarHBondContact O-N 2.93Å; P141-S144 PolarHBondContact O-N 2.82Å; P141-F145 WeakPolarHBondContact O-CB 3.49Å; P141-F145 PolarHBondContact O-N 3.46Å; P141-M315 HydrophobicContact CB-CE 3.95Å; P141-M315 HydrophobicContact CB-CG 4.47Å; P141-D318 WeakPolarHBondContact CD-OD2 3.36Å
142L84.8Confident79.2Confident1 Ų180.5 Ų80.51%0.00547%0.471CS..Hα-helixtrans-63.6-25.4176.8-68.9169.6000113.7S140 M198 K199 F202 M315 I319S140-L142 PolarHBondContact O-N 3.37Å; S140-L142 PolarHBondContact OG-N 3.38Å; L142-M198 HydrophobicContact CD2-CB 3.92Å; L142-K199 WeakPolarHBondContact O-CD 3.49Å; L142-K199 WeakPolarHBondContact O-CE 3.34Å; L142-F202 HydrophobicContact CB-CD1 4.07Å; L142-F202 HydrophobicContact CB-CE1 4.45Å; L142-F202 HydrophobicContact CB-CG 4.31Å; L142-F202 HydrophobicContact CD1-CB 3.74Å; L142-F202 HydrophobicContact CD1-CD1 4.36Å; L142-F202 HydrophobicContact CD1-CD2 3.91Å; L142-F202 HydrophobicContact CD1-CG 3.76Å; L142-M315 HydrophobicContact CD1-CB 4.12Å; L142-M315 HydrophobicContact CD2-CB 4.08Å; L142-M315 HydrophobicContact CD2-CG 3.92Å; L142-M315 HydrophobicContact CD2-SD 3.71Å; L142-M315 HydrophobicContact CG-CB 4.05Å; L142-M315 HydrophobicContact CG-CG 3.91Å; L142-M315 HydrophobicContact CG-SD 4.34Å; L142-I319 HydrophobicContact CD1-CD1 3.75Å; L142-I319 HydrophobicContact CD1-CG1 3.65Å
143E82.1Confident79.4Confident77 Ų7781.6 Ų81.636%0.3646%0.461SS..Hα-helixtrans-74.9-40.2179.5-62.4-178.5-148.500111.9P139 S140 P141 F202 R206P139-E143 HydrophobicContact CB-CB 4.38Å; P139-E143 WeakPolarHBondContact CB-OE2 3.18Å; S140-E143 PolarHBondContact N-OE1 3.28Å; S140-E143 WeakPolarHBondContact O-CB 3.26Å; S140-E143 PolarHBondContact O-N 3.14Å; P141-E143 PolarHBondContact O-N 2.93Å; E143-F202 HydrophobicContact CG-CE1 3.76Å; E143-R206 IonicContact OE1-CZ 3.53Å; E143-R206 IonicContact OE1-NH1 2.85Å; E143-R206 PolarHBondContact OE1-NH1 2.6Å; E143-R206 IonicContact OE2-NH1 2.74Å
144S78.1Confident79.9Confident95 Ų9583.4 Ų83.466%0.66448%0.483SS*.Hα-helixtrans-98.3-5.6-175.358.40000114.3P141 D146P141-S144 PolarHBondContact O-N 2.82Å; S144-D146 PolarHBondContact O-N 3.07Å; S144-D146 VanDerWaalsContact O-N 3.15Å
145F75.9Confident80.8Confident56 Ų5684.7 Ų84.725%0.24649%0.488CS..  trans-62.2117.7-175.4-155.6-82.9000112.4P141 L147 I150 I195 M315P141-F145 WeakPolarHBondContact O-CB 3.49Å; P141-F145 PolarHBondContact O-N 3.46Å; F145-L147 HydrophobicContact CD1-CD2 4.16Å; F145-L147 HydrophobicContact CD1-CG 4.5Å; F145-L147 HydrophobicContact CE1-CD2 4.49Å; F145-L147 PolarHBondContact O-N 2.89Å; F145-I150 HydrophobicContact CE1-CD1 3.55Å; F145-I150 HydrophobicContact CE1-CG1 4.16Å; F145-I150 HydrophobicContact CZ-CD1 3.86Å; F145-I195 HydrophobicContact CD1-CG2 3.78Å; F145-I195 HydrophobicContact CE1-CD1 3.87Å; F145-I195 HydrophobicContact CE1-CG2 4.11Å; F145-I195 HydrophobicContact CE2-CD1 4.21Å; F145-I195 HydrophobicContact CG-CG2 4.1Å; F145-I195 HydrophobicContact CZ-CD1 3.67Å; F145-M315 HydrophobicContact CD2-CE 3.59Å; F145-M315 HydrophobicContact CE2-CE 3.86Å
146D79.9Confident82Confident89 Ų8981.8 Ų81.848%0.47647%0.467SS..  trans-85.6100.3175.8-177.34.9000111.2S144 S148 T149S144-D146 PolarHBondContact O-N 3.07Å; S144-D146 VanDerWaalsContact O-N 3.15Å; D146-S148 PolarHBondContact O-N 3Å; D146-S148 VanDerWaalsContact OD1-CB 3.23Å; D146-S148 WeakPolarHBondContact OD1-CB 3.24Å; D146-S148 PolarHBondContact OD1-N 2.96Å; D146-S148 PolarHBondContact OD1-OG 3.47Å; D146-S148 PolarHBondContact OD2-OG 3.22Å; D146-T149 HydrophobicContact CB-CG2 4.19Å; D146-T149 PolarHBondContact O-N 3.1Å; D146-T149 PolarHBondContact O-OG1 3.5Å
147L80Confident83.5Confident34 Ų3478.6 Ų78.618%0.17846%0.455CS..G310 helixtrans-65.8-19.3178.5-69.7168.2000114F145 T149 I150 I195 I196F145-L147 HydrophobicContact CD1-CD2 4.16Å; F145-L147 HydrophobicContact CD1-CG 4.5Å; F145-L147 HydrophobicContact CE1-CD2 4.49Å; F145-L147 PolarHBondContact O-N 2.89Å; L147-T149 PolarHBondContact O-N 3.1Å; L147-I150 PolarHBondContact O-N 2.84Å; L147-I195 HydrophobicContact CD2-CB 4.21Å; L147-I195 HydrophobicContact CD2-CG2 3.76Å; L147-I196 HydrophobicContact CD1-CD1 4.38Å; L147-I196 HydrophobicContact CD1-CG1 3.51Å; L147-I196 HydrophobicContact CD2-CG1 3.76Å; L147-I196 HydrophobicContact CG-CG1 4.25Å
148S77.4Confident85.1Confident93 Ų9371.4 Ų71.465%0.6542%0.419SS*.G310 helixtrans-66.7-22179.875.70000112.3D146 I150D146-S148 PolarHBondContact O-N 3Å; D146-S148 VanDerWaalsContact OD1-CB 3.23Å; D146-S148 WeakPolarHBondContact OD1-CB 3.24Å; D146-S148 PolarHBondContact OD1-N 2.96Å; D146-S148 PolarHBondContact OD1-OG 3.47Å; D146-S148 PolarHBondContact OD2-OG 3.22Å; S148-I150 VanDerWaalsContact C-N 3.28Å; S148-I150 PolarHBondContact O-N 3.29Å
149T81.2Confident86.5Confident98 Ų9865.1 Ų65.160%0.60139%0.39SS*.G310 helixtrans-73.8-16.5177.466.10000113.7D146 L147D146-T149 HydrophobicContact CB-CG2 4.19Å; D146-T149 PolarHBondContact O-N 3.1Å; D146-T149 PolarHBondContact O-OG1 3.5Å; L147-T149 PolarHBondContact O-N 3.1Å
150I88Confident87.7Confident26 Ų2665.7 Ų65.713%0.13339%0.386CS..  trans-99.8109.9-179.7-47.9-174.2000109.8F145 L147 S148 K192 I195F145-I150 HydrophobicContact CE1-CD1 3.55Å; F145-I150 HydrophobicContact CE1-CG1 4.16Å; F145-I150 HydrophobicContact CZ-CD1 3.86Å; L147-I150 PolarHBondContact O-N 2.84Å; S148-I150 VanDerWaalsContact C-N 3.28Å; S148-I150 PolarHBondContact O-N 3.29Å; I150-K192 HydrophobicContact CB-CB 4.19Å; I150-K192 HydrophobicContact CB-CG 4.23Å; I150-K192 HydrophobicContact CG2-CB 3.74Å; I150-K192 HydrophobicContact CG2-CG 4.3Å; I150-K192 WeakPolarHBondContact O-CD 3.24Å; I150-K192 WeakPolarHBondContact O-CE 3.49Å; I150-K192 PolarHBondContact O-NZ 2.9Å; I150-I195 HydrophobicContact CD1-CD1 3.75Å
151T90.7Very high88.5Confident107 Ų10765.7 Ų65.766%0.65639%0.385SS*.PPolyproline II helixtrans-85.4138.4170.1-59.60000109.1H190T151-H190 PolarHBondContact O-CE1 3.17Å
152V93.9Very high89.3Confident31 Ų3167.1 Ų67.119%0.18839%0.386CS..PPolyproline II helixtrans-89.8122.4168.1-176.90000106.5Y156 K192 Y193V152-Y156 HydrophobicContact CG1-CD1 3.6Å; V152-Y156 HydrophobicContact CG1-CE1 4.49Å; V152-Y156 HydrophobicContact CG1-CG 4.04Å; V152-K192 HydrophobicContact CG2-CB 4.1Å; V152-K192 HydrophobicContact CG2-CD 3.49Å; V152-K192 VanDerWaalsContact CG2-CD 3.49Å; V152-K192 HydrophobicContact CG2-CG 4.43Å; V152-Y193 HydrophobicContact CG1-CE2 4.44Å; V152-Y193 HydrophobicContact CG2-CE2 4.09Å
153E93Very high89.8Confident107 Ų10772 Ų7250%0.541%0.409SS..PPolyproline II helixtrans-67.5144-179.9-58.381.6-178.500110.7S155 Y156 H190E153-S155 PolarHBondContact O-N 2.69Å; E153-Y156 WeakPolarHBondContact O-CB 3.39Å; E153-Y156 PolarHBondContact O-N 3.37Å; E153-H190 IonicContact OE2-CD2 3.1Å; E153-H190 IonicContact OE2-NE2 3.49Å; E153-H190 PolarHBondContact OE2-NE2 3.38Å; E153-H190 VanDerWaalsContact OE2-NE2 3.1Å
154S93.7Very high90.4Very high137 Ų13771.3 Ų71.396%0.95841%0.408SS*.THydrogen-bonded Turntrans-60.6-16.9177.556.60000114.1
155S95.5Very high91.2Very high100 Ų10072.6 Ų72.670%0.69942%0.417SS*.THydrogen-bonded Turntrans-82.3-11.7175.155.90000114.1E153 D157E153-S155 PolarHBondContact O-N 2.69Å; S155-D157 PolarHBondContact O-N 2.7Å
156Y97.2Very high92.1Very high33 Ų3376.6 Ų76.613%0.12944%0.441CS..  trans-69.5118.3178.9174.3-109.6000110.2V152 E153 G158 P159 H160 H190 Y193V152-Y156 HydrophobicContact CG1-CD1 3.6Å; V152-Y156 HydrophobicContact CG1-CE1 4.49Å; V152-Y156 HydrophobicContact CG1-CG 4.04Å; E153-Y156 WeakPolarHBondContact O-CB 3.39Å; E153-Y156 PolarHBondContact O-N 3.37Å; Y156-G158 WeakPolarHBondContact OH-CA 3.33Å; Y156-P159 WeakPolarHBondContact CE1-O 3.45Å; Y156-P159 WeakPolarHBondContact OH-CD 3.32Å; Y156-P159 PolarHBondContact OH-O 3Å; Y156-P159 VanDerWaalsContact OH-O 3.04Å; Y156-H160 AromaticContact CD1-CE1 3.43Å; Y156-H160 VanDerWaalsContact CD1-CE1 3.43Å; Y156-H160 WeakPolarHBondContact CD1-CE1 3.47Å; Y156-H160 AromaticContact CD1-NE2 3.82Å; Y156-H160 AromaticContact CE1-CE1 3.72Å; Y156-H160 AromaticContact CE1-ND1 3.9Å; Y156-H190 HydrophobicContact CD1-CB 4.11Å; Y156-H190 HydrophobicContact CD2-CB 3.96Å; Y156-H190 HydrophobicContact CE1-CB 3.76Å; Y156-H190 HydrophobicContact CE2-CB 3.59Å; Y156-H190 HydrophobicContact CG-CB 4.2Å; Y156-H190 VanDerWaalsContact CZ-CB 3.47Å; Y156-H190 PolarHBondContact OH-N 3.05Å; Y156-Y193 HydrophobicContact CD1-CE2 4.47Å; Y156-Y193 HydrophobicContact CE1-CD2 4.16Å; Y156-Y193 AromaticContact CE1-CE2 3.9Å; Y156-Y193 HydrophobicContact CE1-CE2 3.9Å
157D96.5Very high92.7Very high113 Ų11374 Ų7460%0.60444%0.435SS*.  trans-104.17.1-173.770-19.5000113.5S155 K187S155-D157 PolarHBondContact O-N 2.7Å; D157-K187 IonicContact OD1-NZ 3.47Å; D157-K187 PolarHBondContact OD1-NZ 3.32Å; D157-K187 IonicContact OD2-NZ 2.65Å; D157-K187 PolarHBondContact OD2-NZ 3.42Å
158G98Very high93.3Very high9 Ų977.5 Ų77.59%0.09345%0.449CS..SBendtrans-87-175.1-178.500000114.1Y156 H160 H182Y156-G158 WeakPolarHBondContact OH-CA 3.33Å; G158-H160 PolarHBondContact O-CE1 3.46Å; G158-H160 PolarHBondContact O-ND1 2.93Å; G158-H182 WeakPolarHBondContact CA-CE1 3.36Å
159P98.1Very high94.1Very high9 Ų975 Ų756%0.05843%0.426CS..  trans-65.3142.7-179.831.2-40.5000111.6Y156 F175 A178 L179 L189 Y193Y156-P159 WeakPolarHBondContact CE1-O 3.45Å; Y156-P159 WeakPolarHBondContact OH-CD 3.32Å; Y156-P159 PolarHBondContact OH-O 3Å; Y156-P159 VanDerWaalsContact OH-O 3.04Å; P159-F175 HydrophobicContact CB-CD2 3.78Å; P159-F175 HydrophobicContact CB-CE2 3.71Å; P159-F175 HydrophobicContact CG-CE2 4.13Å; P159-A178 HydrophobicContact CB-CB 3.93Å; P159-L179 HydrophobicContact CG-CB 4.15Å; P159-L179 HydrophobicContact CG-CD1 3.89Å; P159-L189 HydrophobicContact CG-CD1 3.82Å; P159-Y193 WeakPolarHBondContact O-CD2 3.33Å
160H97.9Very high94.8Very high92 Ų9274.5 Ų74.543%0.42642%0.415SS..  trans-115.9129.4178.7-70.462.4000109.7Y156 G158 F175 Y193Y156-H160 AromaticContact CD1-CE1 3.43Å; Y156-H160 VanDerWaalsContact CD1-CE1 3.43Å; Y156-H160 WeakPolarHBondContact CD1-CE1 3.47Å; Y156-H160 AromaticContact CD1-NE2 3.82Å; Y156-H160 AromaticContact CE1-CE1 3.72Å; Y156-H160 AromaticContact CE1-ND1 3.9Å; G158-H160 PolarHBondContact O-CE1 3.46Å; G158-H160 PolarHBondContact O-ND1 2.93Å; H160-F175 WeakPolarHBondContact O-CD2 3.38Å; H160-Y193 HydrophobicContact CB-CE2 4.2Å; H160-Y193 AromaticContact CD2-CZ 3.89Å; H160-Y193 PolarHBondContact CD2-OH 3.48Å
161L97.5Very high95.3Very high11 Ų1174.1 Ų74.16%0.05841%0.414CS..  trans-69.5139.6170.5-71.3173.4000110.3Y169 V171 F175 Y193 I196 I197L161-Y169 HydrophobicContact CB-CD1 3.67Å; L161-Y169 HydrophobicContact CB-CE1 4.43Å; L161-Y169 HydrophobicContact CB-CG 4.46Å; L161-V171 HydrophobicContact CD2-CG2 4.11Å; L161-F175 HydrophobicContact CD2-CD1 3.73Å; L161-F175 HydrophobicContact CD2-CD2 3.7Å; L161-F175 HydrophobicContact CD2-CE1 3.62Å; L161-F175 HydrophobicContact CD2-CE2 3.59Å; L161-F175 HydrophobicContact CD2-CG 3.76Å; L161-F175 HydrophobicContact CD2-CZ 3.56Å; L161-F175 HydrophobicContact CG-CD2 4.11Å; L161-F175 HydrophobicContact CG-CE1 4.43Å; L161-F175 HydrophobicContact CG-CE2 3.69Å; L161-F175 HydrophobicContact CG-CZ 3.87Å; L161-Y193 HydrophobicContact CB-CD1 3.71Å; L161-Y193 HydrophobicContact CB-CE1 3.94Å; L161-Y193 HydrophobicContact CD1-CD1 3.87Å; L161-Y193 HydrophobicContact CD1-CG 4.4Å; L161-Y193 HydrophobicContact CG-CD1 3.82Å; L161-Y193 HydrophobicContact CG-CG 4.29Å; L161-I196 HydrophobicContact CD1-CB 3.98Å; L161-I196 HydrophobicContact CD1-CD1 4.46Å; L161-I196 HydrophobicContact CD1-CG2 3.52Å; L161-I197 HydrophobicContact CD1-CG1 4.19Å
162E95.4Very high95.7Very high92 Ų9269.9 Ų69.943%0.4339%0.388SS..EExtended strand (participates in β ladder)trans-80.7158.5172.6-65.3175.6-13500110.7Y169 F170 T172E162-Y169 VanDerWaalsContact O-CA 3.27Å; E162-Y169 WeakPolarHBondContact O-CA 3.25Å; E162-F170 HydrophobicContact CB-CE1 3.89Å; E162-F170 HydrophobicContact CB-CZ 3.87Å; E162-F170 PolarHBondContact O-N 3.35Å; E162-F170 VanDerWaalsContact O-N 3.1Å; E162-T172 PolarHBondContact OE1-OG1 2.66Å
163Q95.3Very high95.9Very high104 Ų10473.7 Ų73.749%0.48640%0.404SS..EExtended strand (participates in β ladder)trans-117.9141.4174.6-66.9-179.1-67.200110.3G167 K168 Y169 F170Q163-G167 PolarHBondContact NE2-O 2.76Å; Q163-K168 CarbonylContact C-O 3.6Å; Q163-K168 VanDerWaalsContact CA-O 3.3Å; Q163-K168 WeakPolarHBondContact CA-O 3.5Å; Q163-Y169 HydrophobicContact CG-CD1 3.46Å; Q163-Y169 VanDerWaalsContact CG-CD1 3.46Å; Q163-Y169 HydrophobicContact CG-CD2 4.18Å; Q163-Y169 HydrophobicContact CG-CE1 3.4Å; Q163-Y169 HydrophobicContact CG-CE2 4.1Å; Q163-Y169 HydrophobicContact CG-CG 3.88Å; Q163-Y169 VanDerWaalsContact NE2-CE2 3.29Å; Q163-Y169 VanDerWaalsContact NE2-CZ 3.31Å; Q163-Y169 PolarHBondContact NE2-OH 2.77Å; Q163-F170 VanDerWaalsContact C-CE1 3.48Å
164D95.2Very high96.2Very high62 Ų6271.9 Ų71.933%0.33240%0.403SS..  trans-74.2-178.4173.175.34.1000111.5N166 G167 K168 F170D164-N166 PolarHBondContact O-N 2.82Å; D164-N166 VanDerWaalsContact O-N 3.1Å; D164-N166 VanDerWaalsContact OD1-CA 3.31Å; D164-N166 WeakPolarHBondContact OD1-CA 3.32Å; D164-N166 WeakPolarHBondContact OD1-CB 3.49Å; D164-N166 PolarHBondContact OD1-N 3.46Å; D164-G167 PolarHBondContact O-N 2.81Å; D164-G167 PolarHBondContact OD1-N 2.74Å; D164-K168 PolarHBondContact N-O 2.99Å; D164-K168 PolarHBondContact OD1-N 3.45Å; D164-F170 HydrophobicContact CB-CD1 4.24Å; D164-F170 HydrophobicContact CB-CE1 4.21Å
165S95.5Very high96.4Very high122 Ų12265.6 Ų65.685%0.85336%0.358SS*.THydrogen-bonded Turntrans-61.5-18.1178.657.30000114.4
166N94.4Very high96.6Very high139 Ų13960.9 Ų60.974%0.74333%0.325SS*.THydrogen-bonded Turntrans-96.42.7177.3-57.1-50.3000112.1D164 K168D164-N166 PolarHBondContact O-N 2.82Å; D164-N166 VanDerWaalsContact O-N 3.1Å; D164-N166 VanDerWaalsContact OD1-CA 3.31Å; D164-N166 WeakPolarHBondContact OD1-CA 3.32Å; D164-N166 WeakPolarHBondContact OD1-CB 3.49Å; D164-N166 PolarHBondContact OD1-N 3.46Å; N166-K168 VanDerWaalsContact C-N 3.3Å
167G91.6Very high96.6Very high35 Ų3562.9 Ų62.936%0.36134%0.338SS..SBendtrans78.89.1-176.300000114Q163 D164Q163-G167 PolarHBondContact NE2-O 2.76Å; D164-G167 PolarHBondContact O-N 2.81Å; D164-G167 PolarHBondContact OD1-N 2.74Å
168K92.8Very high96.7Very high108 Ų10859.7 Ų59.747%0.4733%0.327SS..  trans-78.5128.6176.5-176.1177.7177.8177.70109.5Q163 D164 N166 E200Q163-K168 CarbonylContact C-O 3.6Å; Q163-K168 VanDerWaalsContact CA-O 3.3Å; Q163-K168 WeakPolarHBondContact CA-O 3.5Å; D164-K168 PolarHBondContact N-O 2.99Å; D164-K168 PolarHBondContact OD1-N 3.45Å; N166-K168 VanDerWaalsContact C-N 3.3Å; K168-E200 WeakPolarHBondContact CE-OE1 3.32Å; K168-E200 WeakPolarHBondContact CE-OE2 3.42Å; K168-E200 IonicContact NZ-OE1 2.71Å; K168-E200 IonicContact NZ-OE2 3.37Å; K168-E200 PolarHBondContact NZ-OE2 3.12Å
169Y95.4Very high96.8Very high40 Ų4059.2 Ų59.216%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-71.4143.5174.9-69.2-85.5000111.6L161 E162 Q163 Y193 I196L161-Y169 HydrophobicContact CB-CD1 3.67Å; L161-Y169 HydrophobicContact CB-CE1 4.43Å; L161-Y169 HydrophobicContact CB-CG 4.46Å; E162-Y169 VanDerWaalsContact O-CA 3.27Å; E162-Y169 WeakPolarHBondContact O-CA 3.25Å; Q163-Y169 HydrophobicContact CG-CD1 3.46Å; Q163-Y169 VanDerWaalsContact CG-CD1 3.46Å; Q163-Y169 HydrophobicContact CG-CD2 4.18Å; Q163-Y169 HydrophobicContact CG-CE1 3.4Å; Q163-Y169 HydrophobicContact CG-CE2 4.1Å; Q163-Y169 HydrophobicContact CG-CG 3.88Å; Q163-Y169 VanDerWaalsContact NE2-CE2 3.29Å; Q163-Y169 VanDerWaalsContact NE2-CZ 3.31Å; Q163-Y169 PolarHBondContact NE2-OH 2.77Å; Y169-Y193 HydrophobicContact CE1-CE1 4.06Å; Y169-I196 HydrophobicContact CD1-CD1 4.06Å; Y169-I196 HydrophobicContact CD2-CD1 3.54Å; Y169-I196 HydrophobicContact CD2-CG1 4.19Å; Y169-I196 HydrophobicContact CD2-CG2 4.46Å; Y169-I196 HydrophobicContact CE1-CD1 4.16Å; Y169-I196 HydrophobicContact CE2-CD1 3.68Å; Y169-I196 HydrophobicContact CG-CD1 3.74Å; Y169-I196 HydrophobicContact CG-CG2 4.17Å
170F96.4Very high96.8Very high88 Ų8859.2 Ų59.239%0.38632%0.322SS..EExtended strand (participates in β ladder)trans-144.1155.8175.865.9-79.6000111.4E162 Q163 D164 T172E162-F170 HydrophobicContact CB-CE1 3.89Å; E162-F170 HydrophobicContact CB-CZ 3.87Å; E162-F170 PolarHBondContact O-N 3.35Å; E162-F170 VanDerWaalsContact O-N 3.1Å; Q163-F170 VanDerWaalsContact C-CE1 3.48Å; D164-F170 HydrophobicContact CB-CD1 4.24Å; D164-F170 HydrophobicContact CB-CE1 4.21Å; F170-T172 HydrophobicContact CD2-CG2 3.76Å; F170-T172 HydrophobicContact CE2-CG2 3.29Å; F170-T172 HydrophobicContact CZ-CG2 4.09Å
171V98.3Very high96.8Very high17 Ų1759.6 Ų59.610%0.10332%0.324CS..  trans-85.3134.4178.5179.60000109.4L161 F175 M176 L276 L277L161-V171 HydrophobicContact CD2-CG2 4.11Å; V171-F175 HydrophobicContact CG1-CD1 4.06Å; V171-M176 HydrophobicContact CG1-CG 3.58Å; V171-M176 HydrophobicContact CG1-SD 3.57Å; V171-M176 VanDerWaalsContact CG1-SD 3.57Å; V171-L276 HydrophobicContact CB-CB 4.37Å; V171-L276 HydrophobicContact CG2-CB 3.88Å; V171-L276 HydrophobicContact CG2-CD1 4.1Å; V171-L277 HydrophobicContact CB-CB 4.46Å; V171-L277 HydrophobicContact CG1-CB 3.96Å; V171-L277 WeakPolarHBondContact O-CD1 3.4Å
172T98.4Very high96.9Very high19 Ų1959.9 Ų59.912%0.11733%0.325CS..  trans-116.7160.4174.157.50000111.1E162 F170 S174 F175 M176E162-T172 PolarHBondContact OE1-OG1 2.66Å; F170-T172 HydrophobicContact CD2-CG2 3.76Å; F170-T172 HydrophobicContact CE2-CG2 3.29Å; F170-T172 HydrophobicContact CZ-CG2 4.09Å; T172-S174 VanDerWaalsContact C-N 3.32Å; T172-S174 PolarHBondContact O-N 2.75Å; T172-S174 PolarHBondContact OG1-OG 2.85Å; T172-F175 WeakPolarHBondContact O-CB 3.19Å; T172-F175 PolarHBondContact O-N 2.87Å; T172-F175 VanDerWaalsContact OG1-CB 3.29Å; T172-F175 WeakPolarHBondContact OG1-CB 3.25Å; T172-F175 PolarHBondContact OG1-N 3.46Å; T172-M176 WeakPolarHBondContact O-CG 3.33Å; T172-M176 PolarHBondContact O-N 3.25Å
173E98.2Very high97Very high111 Ų11155.5 Ų55.552%0.51930%0.304SS..Hα-helixtrans-60.7-42.4174.2-174179.2166.700111.5F175 M176 L177 L277E173-F175 VanDerWaalsContact C-N 3.34Å; E173-F175 PolarHBondContact O-N 3.42Å; E173-M176 PolarHBondContact O-N 2.87Å; E173-M176 VanDerWaalsContact O-N 3.15Å; E173-L177 HydrophobicContact CG-CD1 4.33Å; E173-L177 WeakPolarHBondContact O-CG 3.11Å; E173-L177 PolarHBondContact O-N 3.34Å; E173-L277 HydrophobicContact CB-CD2 4.33Å
174S98.4Very high97.2Very high68 Ų6854.5 Ų54.548%0.47630%0.298SS..Hα-helixtrans-58.7-43.5175.249.80000112T172 A178T172-S174 VanDerWaalsContact C-N 3.32Å; T172-S174 PolarHBondContact O-N 2.75Å; T172-S174 PolarHBondContact OG1-OG 2.85Å; S174-A178 WeakPolarHBondContact O-CB 3.47Å; S174-A178 PolarHBondContact O-N 3.06Å
175F98.7Very high97.3Very high5 Ų555.1 Ų55.12%0.02231%0.308CS..Hα-helixtrans-60.1-46.4173.8173-92000111.5P159 H160 L161 V171 T172 E173 L177 A178 L179 L189 I197P159-F175 HydrophobicContact CB-CD2 3.78Å; P159-F175 HydrophobicContact CB-CE2 3.71Å; P159-F175 HydrophobicContact CG-CE2 4.13Å; H160-F175 WeakPolarHBondContact O-CD2 3.38Å; L161-F175 HydrophobicContact CD2-CD1 3.73Å; L161-F175 HydrophobicContact CD2-CD2 3.7Å; L161-F175 HydrophobicContact CD2-CE1 3.62Å; L161-F175 HydrophobicContact CD2-CE2 3.59Å; L161-F175 HydrophobicContact CD2-CG 3.76Å; L161-F175 HydrophobicContact CD2-CZ 3.56Å; L161-F175 HydrophobicContact CG-CD2 4.11Å; L161-F175 HydrophobicContact CG-CE1 4.43Å; L161-F175 HydrophobicContact CG-CE2 3.69Å; L161-F175 HydrophobicContact CG-CZ 3.87Å; V171-F175 HydrophobicContact CG1-CD1 4.06Å; T172-F175 WeakPolarHBondContact O-CB 3.19Å; T172-F175 PolarHBondContact O-N 2.87Å; T172-F175 VanDerWaalsContact OG1-CB 3.29Å; T172-F175 WeakPolarHBondContact OG1-CB 3.25Å; T172-F175 PolarHBondContact OG1-N 3.46Å; E173-F175 VanDerWaalsContact C-N 3.34Å; E173-F175 PolarHBondContact O-N 3.42Å; F175-L177 PolarHBondContact O-N 3.21Å; F175-A178 PolarHBondContact O-N 2.86Å; F175-L179 HydrophobicContact CE1-CB 4.42Å; F175-L179 HydrophobicContact CE1-CD2 3.87Å; F175-L179 HydrophobicContact CZ-CD2 4.28Å; F175-L179 VanDerWaalsContact O-CB 3.3Å; F175-L179 WeakPolarHBondContact O-CB 3.18Å; F175-L179 PolarHBondContact O-N 3.48Å; F175-L189 HydrophobicContact CE2-CD1 4.27Å; F175-L189 HydrophobicContact CZ-CD1 4.04Å; F175-L189 HydrophobicContact CZ-CD2 4.37Å; F175-I197 HydrophobicContact CE1-CD1 3.93Å; F175-I197 HydrophobicContact CZ-CD1 4.01Å
176M98.8Very high97.4Very high1 Ų154.6 Ų54.61%0.00529%0.292CS..Hα-helixtrans-63.7-42.5-179.2-70.4-52.5-60.900112.6V171 T172 E173 L179 M180 T270 G273 F274 L277V171-M176 HydrophobicContact CG1-CG 3.58Å; V171-M176 HydrophobicContact CG1-SD 3.57Å; V171-M176 VanDerWaalsContact CG1-SD 3.57Å; T172-M176 WeakPolarHBondContact O-CG 3.33Å; T172-M176 PolarHBondContact O-N 3.25Å; E173-M176 PolarHBondContact O-N 2.87Å; E173-M176 VanDerWaalsContact O-N 3.15Å; M176-L179 HydrophobicContact CE-CD2 4.32Å; M176-L179 PolarHBondContact O-N 3.1Å; M176-L179 HydrophobicContact SD-CD2 4.3Å; M176-M180 WeakPolarHBondContact O-CE 3.33Å; M176-M180 WeakPolarHBondContact O-CG 3.47Å; M176-M180 PolarHBondContact O-N 2.93Å; M176-T270 HydrophobicContact CE-CG2 4.42Å; M176-T270 WeakPolarHBondContact CE-O 3.46Å; M176-G273 WeakPolarHBondContact SD-CA 3.46Å; M176-F274 HydrophobicContact CB-CE1 4.2Å; M176-F274 HydrophobicContact CB-CZ 4.27Å; M176-F274 HydrophobicContact CE-CD1 4.43Å; M176-F274 HydrophobicContact CE-CD2 3.82Å; M176-F274 HydrophobicContact CE-CE2 3.9Å; M176-F274 HydrophobicContact CE-CG 4.09Å; M176-F274 HydrophobicContact CE-CZ 4.25Å; M176-F274 HydrophobicContact CG-CE1 4.37Å; M176-L277 HydrophobicContact CG-CD2 3.94Å
177L98.7Very high97.6Very high75 Ų7551.9 Ų51.939%0.39327%0.273SS..Hα-helixtrans-60.7-47.2175.2-68.4174000111.2E173 F175 L179 M180 E181 L244E173-L177 HydrophobicContact CG-CD1 4.33Å; E173-L177 WeakPolarHBondContact O-CG 3.11Å; E173-L177 PolarHBondContact O-N 3.34Å; F175-L177 PolarHBondContact O-N 3.21Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 2.82Å; L177-M180 HydrophobicContact CD2-CE 3.91Å; L177-M180 PolarHBondContact O-N 2.87Å; L177-E181 PolarHBondContact O-N 3.06Å; L177-L244 HydrophobicContact CD2-CD1 3.62Å
178A98.7Very high97.8Very high46 Ų4653 Ų5338%0.3827%0.273SS..Hα-helixtrans-64.1-37.1177.100000112.5P159 S174 F175 E181 H182P159-A178 HydrophobicContact CB-CB 3.93Å; S174-A178 WeakPolarHBondContact O-CB 3.47Å; S174-A178 PolarHBondContact O-N 3.06Å; F175-A178 PolarHBondContact O-N 2.86Å; A178-E181 PolarHBondContact O-N 2.97Å; A178-H182 VanDerWaalsContact O-CB 3.3Å; A178-H182 WeakPolarHBondContact O-CB 3.49Å; A178-H182 PolarHBondContact O-N 3.37Å
179L98.8Very high98.1Very high0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-62.9-47.3176.8-17962000112.4P159 F175 M176 L177 E181 H182 Y183 L189P159-L179 HydrophobicContact CG-CB 4.15Å; P159-L179 HydrophobicContact CG-CD1 3.89Å; F175-L179 HydrophobicContact CE1-CB 4.42Å; F175-L179 HydrophobicContact CE1-CD2 3.87Å; F175-L179 HydrophobicContact CZ-CD2 4.28Å; F175-L179 VanDerWaalsContact O-CB 3.3Å; F175-L179 WeakPolarHBondContact O-CB 3.18Å; F175-L179 PolarHBondContact O-N 3.48Å; M176-L179 HydrophobicContact CE-CD2 4.32Å; M176-L179 PolarHBondContact O-N 3.1Å; M176-L179 HydrophobicContact SD-CD2 4.3Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 2.82Å; L179-E181 PolarHBondContact O-N 3.26Å; L179-H182 WeakPolarHBondContact O-CB 3.03Å; L179-H182 PolarHBondContact O-N 3.2Å; L179-Y183 HydrophobicContact CD1-CD1 4.43Å; L179-Y183 HydrophobicContact CD1-CD2 4.06Å; L179-Y183 HydrophobicContact CD1-CE1 3.93Å; L179-Y183 HydrophobicContact CD1-CE2 3.49Å; L179-Y183 VanDerWaalsContact CD1-CE2 3.49Å; L179-Y183 VanDerWaalsContact CD1-CZ 3.42Å; L179-Y183 HydrophobicContact CD2-CE2 3.99Å; L179-Y183 HydrophobicContact CG-CD2 3.95Å; L179-Y183 HydrophobicContact CG-CE2 3.55Å; L179-Y183 PolarHBondContact O-N 3.41Å; L179-L189 HydrophobicContact CD1-CB 4.03Å; L179-L189 HydrophobicContact CD1-CD1 4Å; L179-L189 HydrophobicContact CD1-CD2 4.26Å; L179-L189 HydrophobicContact CD1-CG 4.32Å
180M98.7Very high98.2Very high8 Ų847 Ų474%0.03925%0.248CC..Hα-helixtrans-63-41.3178.3-70.4-177.8-63.300111.7M176 L177 Y183 K184 M236 F239 L244 T270 F274M176-M180 WeakPolarHBondContact O-CE 3.33Å; M176-M180 WeakPolarHBondContact O-CG 3.47Å; M176-M180 PolarHBondContact O-N 2.93Å; L177-M180 HydrophobicContact CD2-CE 3.91Å; L177-M180 PolarHBondContact O-N 2.87Å; M180-Y183 PolarHBondContact O-N 3.4Å; M180-K184 WeakPolarHBondContact O-CG 3.39Å; M180-K184 PolarHBondContact O-N 3.5Å; M180-M236 HydrophobicContact CB-SD 3.76Å; M180-M236 HydrophobicContact CG-CE 4.01Å; M180-M236 HydrophobicContact CG-SD 3.72Å; M180-M236 HydrophobicContact SD-CE 3.72Å; M180-M236 HydrophobicContact SD-SD 3.6Å; M180-M236 VanDerWaalsContact SD-SD 3.6Å; M180-F239 HydrophobicContact SD-CD2 4.23Å; M180-F239 HydrophobicContact SD-CE2 4.48Å; M180-L244 HydrophobicContact CE-CD2 3.74Å; M180-L244 HydrophobicContact SD-CD2 4.24Å; M180-T270 HydrophobicContact CG-CG2 4.12Å; M180-T270 HydrophobicContact SD-CG2 4.21Å; M180-F274 HydrophobicContact CE-CE2 4.37Å; M180-F274 HydrophobicContact CE-CZ 3.93Å; M180-F274 HydrophobicContact SD-CE2 3.85Å; M180-F274 HydrophobicContact SD-CZ 4.01Å
181E98.6Very high98.2Very high101 Ų10146.4 Ų46.447%0.47225%0.245SC..Hα-helixtrans-67-36.2175.7-67.5-53.9127.400112.9L177 A178 L179 K184 S185L177-E181 PolarHBondContact O-N 3.06Å; A178-E181 PolarHBondContact O-N 2.97Å; L179-E181 PolarHBondContact O-N 3.26Å; E181-K184 PolarHBondContact O-N 3.11Å; E181-K184 IonicContact OE1-NZ 2.74Å; E181-K184 PolarHBondContact OE1-NZ 3.06Å; E181-S185 PolarHBondContact O-N 2.84Å; E181-S185 VanDerWaalsContact O-N 3.15Å; E181-S185 PolarHBondContact O-OG 3.4Å
182H98.6Very high98Very high16 Ų1647.2 Ų47.27%0.07425%0.247CC..Hα-helixtrans-62.6-42.7174-167.477.2000111.7G158 A178 L179 S185 K187 V188G158-H182 WeakPolarHBondContact CA-CE1 3.36Å; A178-H182 VanDerWaalsContact O-CB 3.3Å; A178-H182 WeakPolarHBondContact O-CB 3.49Å; A178-H182 PolarHBondContact O-N 3.37Å; L179-H182 WeakPolarHBondContact O-CB 3.03Å; L179-H182 PolarHBondContact O-N 3.2Å; H182-S185 CarbonylContact O-C 3.57Å; H182-S185 WeakPolarHBondContact O-CB 3.5Å; H182-S185 PolarHBondContact O-N 2.86Å; H182-K187 WeakPolarHBondContact CE1-CB 3.06Å; H182-K187 WeakPolarHBondContact CE1-CD 3.38Å; H182-K187 WeakPolarHBondContact ND1-CD 3.27Å; H182-K187 WeakPolarHBondContact NE2-CB 3.44Å; H182-K187 PolarHBondContact O-N 3.37Å; H182-V188 PolarHBondContact NE2-O 2.72Å
183Y98.6Very high98Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-68.6-39.1175.4-71-25.3000113.5L179 M180 S185 Q186 K187 L189 F232 E266 F269L179-Y183 HydrophobicContact CD1-CD1 4.43Å; L179-Y183 HydrophobicContact CD1-CD2 4.06Å; L179-Y183 HydrophobicContact CD1-CE1 3.93Å; L179-Y183 HydrophobicContact CD1-CE2 3.49Å; L179-Y183 VanDerWaalsContact CD1-CE2 3.49Å; L179-Y183 VanDerWaalsContact CD1-CZ 3.42Å; L179-Y183 HydrophobicContact CD2-CE2 3.99Å; L179-Y183 HydrophobicContact CG-CD2 3.95Å; L179-Y183 HydrophobicContact CG-CE2 3.55Å; L179-Y183 PolarHBondContact O-N 3.41Å; M180-Y183 PolarHBondContact O-N 3.4Å; Y183-S185 PolarHBondContact O-N 3.5Å; Y183-Q186 PolarHBondContact O-N 2.9Å; Y183-K187 VanDerWaalsContact CD1-O 3.26Å; Y183-K187 WeakPolarHBondContact CD1-O 3.39Å; Y183-L189 HydrophobicContact CE1-CB 4.23Å; Y183-L189 WeakPolarHBondContact OH-CB 3.42Å; Y183-F232 AromaticContact CD2-CE2 3.99Å; Y183-F232 HydrophobicContact CD2-CE2 3.99Å; Y183-F232 HydrophobicContact CD2-CZ 4.21Å; Y183-F232 HydrophobicContact CG-CE2 4.44Å; Y183-F232 HydrophobicContact CG-CZ 4.29Å; Y183-E266 HydrophobicContact CD1-CB 4.24Å; Y183-E266 HydrophobicContact CD1-CG 3.52Å; Y183-E266 HydrophobicContact CD2-CB 3.77Å; Y183-E266 HydrophobicContact CD2-CG 3.99Å; Y183-E266 HydrophobicContact CE1-CG 4.01Å; Y183-E266 HydrophobicContact CE2-CB 4.19Å; Y183-E266 HydrophobicContact CE2-CG 4.43Å; Y183-E266 HydrophobicContact CG-CB 3.8Å; Y183-E266 HydrophobicContact CG-CG 3.5Å; Y183-F269 HydrophobicContact CE2-CB 4.08Å; Y183-F269 VanDerWaalsContact OH-CB 3.25Å; Y183-F269 WeakPolarHBondContact OH-CB 3.17Å
184K98.3Very high97.9Very high83 Ų8341.7 Ų41.736%0.36122%0.22SC..Hα-helixtrans-59-27.1170.9-73.3174.8-171.71710112.5M180 E181 Q186 F232 Y233M180-K184 WeakPolarHBondContact O-CG 3.39Å; M180-K184 PolarHBondContact O-N 3.5Å; E181-K184 PolarHBondContact O-N 3.11Å; E181-K184 IonicContact OE1-NZ 2.74Å; E181-K184 PolarHBondContact OE1-NZ 3.06Å; K184-Q186 VanDerWaalsContact C-N 3.26Å; K184-Q186 PolarHBondContact O-N 2.64Å; K184-F232 HydrophobicContact CG-CE1 3.87Å; K184-F232 HydrophobicContact CG-CZ 4.42Å; K184-Y233 PolarHBondContact O-OH 2.97Å
185S97.9Very high97.8Very high76 Ų7638.5 Ų38.553%0.53120%0.198SC..THydrogen-bonded Turntrans-86.513175.6-54.40000113.6E181 H182 Y183 K187E181-S185 PolarHBondContact O-N 2.84Å; E181-S185 VanDerWaalsContact O-N 3.15Å; E181-S185 PolarHBondContact O-OG 3.4Å; H182-S185 CarbonylContact O-C 3.57Å; H182-S185 WeakPolarHBondContact O-CB 3.5Å; H182-S185 PolarHBondContact O-N 2.86Å; Y183-S185 PolarHBondContact O-N 3.5Å; S185-K187 PolarHBondContact O-N 3.15Å
186Q97.1Very high97.7Very high110 Ų11038.5 Ų38.551%0.51420%0.198SC..THydrogen-bonded Turntrans56.627.6-178-57-174.1-97.500114.6Y183 K184 P471Y183-Q186 PolarHBondContact O-N 2.9Å; K184-Q186 VanDerWaalsContact C-N 3.26Å; K184-Q186 PolarHBondContact O-N 2.64Å; Q186-P471 VanDerWaalsContact CD-CB 3.49Å; Q186-P471 HydrophobicContact CG-CB 4.29Å; Q186-P471 HydrophobicContact CG-CG 3.76Å
187K97.9Very high97.6Very high82 Ų8238.5 Ų38.536%0.35720%0.198SC..  trans-98.6158.8174-60.3-178.7179.1179.80110.2D157 H182 Y183 S185D157-K187 IonicContact OD1-NZ 3.47Å; D157-K187 PolarHBondContact OD1-NZ 3.32Å; D157-K187 IonicContact OD2-NZ 2.65Å; D157-K187 PolarHBondContact OD2-NZ 3.42Å; H182-K187 WeakPolarHBondContact CE1-CB 3.06Å; H182-K187 WeakPolarHBondContact CE1-CD 3.38Å; H182-K187 WeakPolarHBondContact ND1-CD 3.27Å; H182-K187 WeakPolarHBondContact NE2-CB 3.44Å; H182-K187 PolarHBondContact O-N 3.37Å; Y183-K187 VanDerWaalsContact CD1-O 3.26Å; Y183-K187 WeakPolarHBondContact CD1-O 3.39Å; S185-K187 PolarHBondContact O-N 3.15Å
188V97.5Very high97.6Very high58 Ų5835 Ų3535%0.35218%0.179SC..  trans-106149178.7-62.30000111.4H182 K307H182-V188 PolarHBondContact NE2-O 2.72Å; V188-K307 HydrophobicContact CG1-CB 4.25Å; V188-K307 HydrophobicContact CG1-CD 4.07Å; V188-K307 HydrophobicContact CG1-CG 4.15Å
189L98.5Very high97.4Very high1 Ų135 Ų351%0.00517%0.171CC..  trans-64.5140.4172.8177.963.2000109.5P159 F175 L179 Y183 K191 Y193 A194 I197 Y308P159-L189 HydrophobicContact CG-CD1 3.82Å; F175-L189 HydrophobicContact CE2-CD1 4.27Å; F175-L189 HydrophobicContact CZ-CD1 4.04Å; F175-L189 HydrophobicContact CZ-CD2 4.37Å; L179-L189 HydrophobicContact CD1-CB 4.03Å; L179-L189 HydrophobicContact CD1-CD1 4Å; L179-L189 HydrophobicContact CD1-CD2 4.26Å; L179-L189 HydrophobicContact CD1-CG 4.32Å; Y183-L189 HydrophobicContact CE1-CB 4.23Å; Y183-L189 WeakPolarHBondContact OH-CB 3.42Å; L189-K191 PolarHBondContact O-N 3.41Å; L189-Y193 HydrophobicContact CD1-CD2 4.24Å; L189-Y193 HydrophobicContact CD1-CG 4.44Å; L189-A194 HydrophobicContact CD2-CB 4.26Å; L189-I197 HydrophobicContact CD2-CD1 3.83Å; L189-Y308 WeakPolarHBondContact O-CE1 3.22Å; L189-Y308 PolarHBondContact O-OH 2.92Å
190H97.9Very high97.2Very high23 Ų2337.3 Ų37.311%0.10618%0.181CC..  trans-58137.3176.6-172.4-91.4000111.8T151 E153 Y156 K192 Y193 A194T151-H190 PolarHBondContact O-CE1 3.17Å; E153-H190 IonicContact OE2-CD2 3.1Å; E153-H190 IonicContact OE2-NE2 3.49Å; E153-H190 PolarHBondContact OE2-NE2 3.38Å; E153-H190 VanDerWaalsContact OE2-NE2 3.1Å; Y156-H190 HydrophobicContact CD1-CB 4.11Å; Y156-H190 HydrophobicContact CD2-CB 3.96Å; Y156-H190 HydrophobicContact CE1-CB 3.76Å; Y156-H190 HydrophobicContact CE2-CB 3.59Å; Y156-H190 HydrophobicContact CG-CB 4.2Å; Y156-H190 VanDerWaalsContact CZ-CB 3.47Å; Y156-H190 PolarHBondContact OH-N 3.05Å; H190-K192 VanDerWaalsContact ND1-CB 3.31Å; H190-K192 WeakPolarHBondContact ND1-CB 3.29Å; H190-K192 PolarHBondContact ND1-N 3.34Å; H190-K192 VanDerWaalsContact ND1-N 3.15Å; H190-K192 PolarHBondContact O-N 2.92Å; H190-Y193 HydrophobicContact CB-CD2 3.93Å; H190-Y193 HydrophobicContact CB-CE2 4.42Å; H190-Y193 PolarHBondContact O-N 3.12Å; H190-A194 PolarHBondContact O-N 2.78Å
191K95.2Very high97.2Very high75 Ų7536.9 Ų36.933%0.32618%0.179SC..Hα-helixtrans-51.2-36.8-175.6-177.5173.6179.8171.50113.5L189 A194 I195 Y308L189-K191 PolarHBondContact O-N 3.41Å; K191-A194 PolarHBondContact O-N 3.15Å; K191-I195 HydrophobicContact CD-CD1 4.36Å; K191-I195 HydrophobicContact CG-CD1 3.75Å; K191-I195 HydrophobicContact CG-CG1 4.32Å; K191-I195 VanDerWaalsContact O-CG1 3.32Å; K191-I195 WeakPolarHBondContact O-CG1 3.31Å; K191-I195 PolarHBondContact O-N 3.46Å; K191-Y308 HydrophobicContact CB-CD1 4.32Å; K191-Y308 HydrophobicContact CG-CD1 4.48Å
192K95.4Very high97.1Very high33 Ų3332.3 Ų32.314%0.14316%0.158CC..Hα-helixtrans-56.1-52.2175.4-170.9-179.6-172.4161.90112I150 V152 H190 I195 I196I150-K192 HydrophobicContact CB-CB 4.19Å; I150-K192 HydrophobicContact CB-CG 4.23Å; I150-K192 HydrophobicContact CG2-CB 3.74Å; I150-K192 HydrophobicContact CG2-CG 4.3Å; I150-K192 WeakPolarHBondContact O-CD 3.24Å; I150-K192 WeakPolarHBondContact O-CE 3.49Å; I150-K192 PolarHBondContact O-NZ 2.9Å; V152-K192 HydrophobicContact CG2-CB 4.1Å; V152-K192 HydrophobicContact CG2-CD 3.49Å; V152-K192 VanDerWaalsContact CG2-CD 3.49Å; V152-K192 HydrophobicContact CG2-CG 4.43Å; H190-K192 VanDerWaalsContact ND1-CB 3.31Å; H190-K192 WeakPolarHBondContact ND1-CB 3.29Å; H190-K192 PolarHBondContact ND1-N 3.34Å; H190-K192 VanDerWaalsContact ND1-N 3.15Å; H190-K192 PolarHBondContact O-N 2.92Å; K192-I195 PolarHBondContact O-N 3.29Å; K192-I196 HydrophobicContact CG-CD1 4Å; K192-I196 WeakPolarHBondContact O-CD1 3.45Å; K192-I196 VanDerWaalsContact O-CG1 3.28Å; K192-I196 WeakPolarHBondContact O-CG1 3.36Å; K192-I196 PolarHBondContact O-N 3.32Å
193Y97.2Very high96.9Very high14 Ų1434.9 Ų34.96%0.05517%0.172CC..Hα-helixtrans-72.6-35.7-177-60-51.4000111.6V152 Y156 P159 H160 L161 Y169 L189 H190 I196 I197V152-Y193 HydrophobicContact CG1-CE2 4.44Å; V152-Y193 HydrophobicContact CG2-CE2 4.09Å; Y156-Y193 HydrophobicContact CD1-CE2 4.47Å; Y156-Y193 HydrophobicContact CE1-CD2 4.16Å; Y156-Y193 AromaticContact CE1-CE2 3.9Å; Y156-Y193 HydrophobicContact CE1-CE2 3.9Å; P159-Y193 WeakPolarHBondContact O-CD2 3.33Å; H160-Y193 HydrophobicContact CB-CE2 4.2Å; H160-Y193 AromaticContact CD2-CZ 3.89Å; H160-Y193 PolarHBondContact CD2-OH 3.48Å; L161-Y193 HydrophobicContact CB-CD1 3.71Å; L161-Y193 HydrophobicContact CB-CE1 3.94Å; L161-Y193 HydrophobicContact CD1-CD1 3.87Å; L161-Y193 HydrophobicContact CD1-CG 4.4Å; L161-Y193 HydrophobicContact CG-CD1 3.82Å; L161-Y193 HydrophobicContact CG-CG 4.29Å; Y169-Y193 HydrophobicContact CE1-CE1 4.06Å; L189-Y193 HydrophobicContact CD1-CD2 4.24Å; L189-Y193 HydrophobicContact CD1-CG 4.44Å; H190-Y193 HydrophobicContact CB-CD2 3.93Å; H190-Y193 HydrophobicContact CB-CE2 4.42Å; H190-Y193 PolarHBondContact O-N 3.12Å; Y193-I196 HydrophobicContact CD1-CD1 4.08Å; Y193-I196 PolarHBondContact O-N 2.83Å; Y193-I197 WeakPolarHBondContact O-CG1 3.43Å; Y193-I197 PolarHBondContact O-N 3.14Å
194A97.6Very high96.8Very high1 Ų137.9 Ų37.91%0.00818%0.184CC..Hα-helixtrans-55.9-51.8170.800000111.4L189 H190 K191 I196 I197 M198 F269 Y308L189-A194 HydrophobicContact CD2-CB 4.26Å; H190-A194 PolarHBondContact O-N 2.78Å; K191-A194 PolarHBondContact O-N 3.15Å; A194-I196 VanDerWaalsContact C-N 3.34Å; A194-I196 PolarHBondContact O-N 2.69Å; A194-I197 PolarHBondContact O-N 2.81Å; A194-M198 WeakPolarHBondContact O-CB 3.26Å; A194-M198 VanDerWaalsContact O-CG 3.24Å; A194-M198 WeakPolarHBondContact O-CG 3.49Å; A194-M198 PolarHBondContact O-N 2.79Å; A194-F269 HydrophobicContact CB-CE1 3.88Å; A194-F269 HydrophobicContact CB-CE2 4.13Å; A194-F269 HydrophobicContact CB-CZ 3.52Å; A194-F269 WeakPolarHBondContact O-CE1 3.09Å; A194-Y308 HydrophobicContact CB-CE1 3.96Å
195I95.4Very high96.8Very high1 Ų134 Ų341%0.00517%0.167CC..Hα-helixtrans-65.4-36.2179.3-66.6171.5000111.8F145 L147 I150 K191 K192 M198 K199F145-I195 HydrophobicContact CD1-CG2 3.78Å; F145-I195 HydrophobicContact CE1-CD1 3.87Å; F145-I195 HydrophobicContact CE1-CG2 4.11Å; F145-I195 HydrophobicContact CE2-CD1 4.21Å; F145-I195 HydrophobicContact CG-CG2 4.1Å; F145-I195 HydrophobicContact CZ-CD1 3.67Å; L147-I195 HydrophobicContact CD2-CB 4.21Å; L147-I195 HydrophobicContact CD2-CG2 3.76Å; I150-I195 HydrophobicContact CD1-CD1 3.75Å; K191-I195 HydrophobicContact CD-CD1 4.36Å; K191-I195 HydrophobicContact CG-CD1 3.75Å; K191-I195 HydrophobicContact CG-CG1 4.32Å; K191-I195 VanDerWaalsContact O-CG1 3.32Å; K191-I195 WeakPolarHBondContact O-CG1 3.31Å; K191-I195 PolarHBondContact O-N 3.46Å; K192-I195 PolarHBondContact O-N 3.29Å; I195-M198 PolarHBondContact O-N 3.3Å; I195-K199 WeakPolarHBondContact O-CB 3.38Å; I195-K199 PolarHBondContact O-N 3.34Å
196I95.6Very high96.6Very high5 Ų534.6 Ų34.63%0.02616%0.158CC..Hα-helixtrans-59.5-51.5173.6-73.1159.9000110.9L147 L161 Y169 K192 Y193 A194 M198 K199 E200L147-I196 HydrophobicContact CD1-CD1 4.38Å; L147-I196 HydrophobicContact CD1-CG1 3.51Å; L147-I196 HydrophobicContact CD2-CG1 3.76Å; L147-I196 HydrophobicContact CG-CG1 4.25Å; L161-I196 HydrophobicContact CD1-CB 3.98Å; L161-I196 HydrophobicContact CD1-CD1 4.46Å; L161-I196 HydrophobicContact CD1-CG2 3.52Å; Y169-I196 HydrophobicContact CD1-CD1 4.06Å; Y169-I196 HydrophobicContact CD2-CD1 3.54Å; Y169-I196 HydrophobicContact CD2-CG1 4.19Å; Y169-I196 HydrophobicContact CD2-CG2 4.46Å; Y169-I196 HydrophobicContact CE1-CD1 4.16Å; Y169-I196 HydrophobicContact CE2-CD1 3.68Å; Y169-I196 HydrophobicContact CG-CD1 3.74Å; Y169-I196 HydrophobicContact CG-CG2 4.17Å; K192-I196 HydrophobicContact CG-CD1 4Å; K192-I196 WeakPolarHBondContact O-CD1 3.45Å; K192-I196 VanDerWaalsContact O-CG1 3.28Å; K192-I196 WeakPolarHBondContact O-CG1 3.36Å; K192-I196 PolarHBondContact O-N 3.32Å; Y193-I196 HydrophobicContact CD1-CD1 4.08Å; Y193-I196 PolarHBondContact O-N 2.83Å; A194-I196 VanDerWaalsContact C-N 3.34Å; A194-I196 PolarHBondContact O-N 2.69Å; I196-M198 VanDerWaalsContact C-N 3.3Å; I196-M198 PolarHBondContact O-N 2.67Å; I196-K199 PolarHBondContact O-N 2.97Å; I196-E200 PolarHBondContact O-N 2.92Å
197I97.9Very high96.5Very high1 Ų136.4 Ų36.41%0.00517%0.17CC..Hα-helixtrans-58.4-45.9178.1-70.7171000110.1L161 F175 L189 Y193 A194 K199 E200 I201 F269 F272 L276L161-I197 HydrophobicContact CD1-CG1 4.19Å; F175-I197 HydrophobicContact CE1-CD1 3.93Å; F175-I197 HydrophobicContact CZ-CD1 4.01Å; L189-I197 HydrophobicContact CD2-CD1 3.83Å; Y193-I197 WeakPolarHBondContact O-CG1 3.43Å; Y193-I197 PolarHBondContact O-N 3.14Å; A194-I197 PolarHBondContact O-N 2.81Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 2.96Å; I197-E200 PolarHBondContact O-N 3.18Å; I197-I201 WeakPolarHBondContact O-CB 3.49Å; I197-I201 VanDerWaalsContact O-CG2 3.24Å; I197-I201 WeakPolarHBondContact O-CG2 2.95Å; I197-I201 PolarHBondContact O-N 2.94Å; I197-F269 HydrophobicContact CB-CD1 4.31Å; I197-F269 HydrophobicContact CB-CE1 4.33Å; I197-F269 HydrophobicContact CD1-CD1 4.42Å; I197-F269 HydrophobicContact CG2-CD1 3.95Å; I197-F269 HydrophobicContact CG2-CE1 4.26Å; I197-F272 HydrophobicContact CG2-CB 3.74Å; I197-F272 HydrophobicContact CG2-CD2 4.49Å; I197-L276 HydrophobicContact CB-CD1 4.45Å; I197-L276 HydrophobicContact CG2-CD1 3.99Å
198M97.5Very high96.5Very high0 Ų034 Ų340%016%0.161CC..Hα-helixtrans-59.1-41177.5-73.5177.786.800112.8L142 A194 I195 I196 I201 F202 F269 V312 M315 F316 I319L142-M198 HydrophobicContact CD2-CB 3.92Å; A194-M198 WeakPolarHBondContact O-CB 3.26Å; A194-M198 VanDerWaalsContact O-CG 3.24Å; A194-M198 WeakPolarHBondContact O-CG 3.49Å; A194-M198 PolarHBondContact O-N 2.79Å; I195-M198 PolarHBondContact O-N 3.3Å; I196-M198 VanDerWaalsContact C-N 3.3Å; I196-M198 PolarHBondContact O-N 2.67Å; M198-I201 VanDerWaalsContact O-CG2 3.3Å; M198-I201 WeakPolarHBondContact O-CG2 3.48Å; M198-F202 WeakPolarHBondContact O-CB 3.48Å; M198-F202 PolarHBondContact O-N 3.23Å; M198-F269 HydrophobicContact CG-CE1 3.8Å; M198-F269 HydrophobicContact CG-CZ 3.99Å; M198-F269 HydrophobicContact SD-CE1 4.33Å; M198-F269 HydrophobicContact SD-CZ 3.91Å; M198-V312 HydrophobicContact CE-CG1 3.99Å; M198-V312 HydrophobicContact SD-CG1 3.81Å; M198-M315 HydrophobicContact CE-CB 3.45Å; M198-M315 VanDerWaalsContact CE-CB 3.45Å; M198-F316 HydrophobicContact CE-CB 4.39Å; M198-F316 HydrophobicContact CE-CD1 3.93Å; M198-F316 HydrophobicContact CE-CD2 3.58Å; M198-F316 HydrophobicContact CE-CE1 4.06Å; M198-F316 HydrophobicContact CE-CE2 3.74Å; M198-F316 HydrophobicContact CE-CG 3.69Å; M198-F316 HydrophobicContact CE-CZ 3.97Å; M198-F316 HydrophobicContact SD-CE2 4.14Å; M198-F316 HydrophobicContact SD-CZ 4.18Å; M198-I319 HydrophobicContact CB-CD1 3.67Å; M198-I319 HydrophobicContact CE-CD1 3.75Å; M198-I319 HydrophobicContact CG-CD1 3.88Å; M198-I319 WeakPolarHBondContact O-CD1 3.34Å
199K95.2Very high96.4Very high48 Ų4833.5 Ų33.521%0.20916%0.16CC..Hα-helixtrans-68-47.9177.7-177.2172.9-174.3166.20111.8L142 I195 I196 I197 F202 L203L142-K199 WeakPolarHBondContact O-CD 3.49Å; L142-K199 WeakPolarHBondContact O-CE 3.34Å; I195-K199 WeakPolarHBondContact O-CB 3.38Å; I195-K199 PolarHBondContact O-N 3.34Å; I196-K199 PolarHBondContact O-N 2.97Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 2.96Å; K199-F202 PolarHBondContact O-N 3.48Å; K199-L203 HydrophobicContact CG-CD1 4.36Å; K199-L203 WeakPolarHBondContact O-CG 3.5Å; K199-L203 PolarHBondContact O-N 2.91Å; K199-L203 VanDerWaalsContact O-N 3.08Å
200E95.6Very high96.4Very high47 Ų4733.6 Ų33.622%0.2216%0.16CC..Hα-helixtrans-65.3-41.4-179.2-66.9-63.1138.600111.4K168 I196 I197 L203 Y204 L276K168-E200 WeakPolarHBondContact CE-OE1 3.32Å; K168-E200 WeakPolarHBondContact CE-OE2 3.42Å; K168-E200 IonicContact NZ-OE1 2.71Å; K168-E200 IonicContact NZ-OE2 3.37Å; K168-E200 PolarHBondContact NZ-OE2 3.12Å; I196-E200 PolarHBondContact O-N 2.92Å; I197-E200 PolarHBondContact O-N 3.18Å; E200-L203 PolarHBondContact O-N 3Å; E200-Y204 WeakPolarHBondContact O-CB 3.21Å; E200-Y204 PolarHBondContact O-N 2.87Å; E200-L276 HydrophobicContact CB-CD1 3.93Å; E200-L276 HydrophobicContact CB-CD2 3.89Å
201I97.8Very high96.5Very high0 Ų032.7 Ų32.70%016%0.156CC..Hα-helixtrans-68.5-38.5177.1-167.160.4000111.7I197 M198 L203 Y204 L205 F272 K275 L276 I319I197-I201 WeakPolarHBondContact O-CB 3.49Å; I197-I201 VanDerWaalsContact O-CG2 3.24Å; I197-I201 WeakPolarHBondContact O-CG2 2.95Å; I197-I201 PolarHBondContact O-N 2.94Å; M198-I201 VanDerWaalsContact O-CG2 3.3Å; M198-I201 WeakPolarHBondContact O-CG2 3.48Å; I201-L203 PolarHBondContact O-N 3.47Å; I201-Y204 PolarHBondContact O-N 3.33Å; I201-L205 HydrophobicContact CD1-CD1 4.34Å; I201-L205 HydrophobicContact CD1-CD2 4.32Å; I201-L205 HydrophobicContact CD1-CG 4.02Å; I201-L205 HydrophobicContact CG1-CD1 3.85Å; I201-L205 HydrophobicContact CG1-CG 3.99Å; I201-L205 WeakPolarHBondContact O-CB 3.27Å; I201-L205 VanDerWaalsContact O-CG 3.25Å; I201-L205 WeakPolarHBondContact O-CG 3.2Å; I201-L205 PolarHBondContact O-N 3.24Å; I201-F272 HydrophobicContact CB-CB 4.5Å; I201-F272 HydrophobicContact CB-CD2 4.47Å; I201-F272 HydrophobicContact CB-CG 4.33Å; I201-F272 HydrophobicContact CD1-CD1 4.47Å; I201-F272 HydrophobicContact CG1-CB 4.35Å; I201-F272 HydrophobicContact CG1-CD1 3.82Å; I201-F272 HydrophobicContact CG1-CD2 4.42Å; I201-F272 HydrophobicContact CG1-CE1 4.15Å; I201-F272 HydrophobicContact CG1-CG 3.96Å; I201-F272 HydrophobicContact CG2-CD2 3.72Å; I201-F272 HydrophobicContact CG2-CE2 3.91Å; I201-F272 HydrophobicContact CG2-CG 4.06Å; I201-F272 HydrophobicContact CG2-CZ 4.42Å; I201-K275 HydrophobicContact CD1-CB 4.04Å; I201-K275 HydrophobicContact CD1-CG 3.46Å; I201-K275 VanDerWaalsContact CD1-CG 3.46Å; I201-L276 HydrophobicContact CB-CD1 4.48Å; I201-L276 HydrophobicContact CB-CD2 4.39Å; I201-L276 HydrophobicContact CD1-CD2 4.32Å; I201-L276 HydrophobicContact CD1-CG 4.46Å; I201-I319 HydrophobicContact CG2-CD1 4.14Å; I201-I319 HydrophobicContact CG2-CG2 4.12Å
202F96.9Very high96.6Very high4 Ų429.8 Ų29.82%0.01815%0.145CC..Hα-helixtrans-57.5-49.5175.4175.1-105.1000111.7S140 L142 E143 M198 K199 Y204 L205 R206 D318 I319 W322S140-F202 VanDerWaalsContact CB-CZ 3.43Å; L142-F202 HydrophobicContact CB-CD1 4.07Å; L142-F202 HydrophobicContact CB-CE1 4.45Å; L142-F202 HydrophobicContact CB-CG 4.31Å; L142-F202 HydrophobicContact CD1-CB 3.74Å; L142-F202 HydrophobicContact CD1-CD1 4.36Å; L142-F202 HydrophobicContact CD1-CD2 3.91Å; L142-F202 HydrophobicContact CD1-CG 3.76Å; E143-F202 HydrophobicContact CG-CE1 3.76Å; M198-F202 WeakPolarHBondContact O-CB 3.48Å; M198-F202 PolarHBondContact O-N 3.23Å; K199-F202 PolarHBondContact O-N 3.48Å; F202-Y204 PolarHBondContact O-N 3.48Å; F202-L205 PolarHBondContact O-N 3.04Å; F202-R206 HydrophobicContact CZ-CG 4.44Å; F202-R206 WeakPolarHBondContact O-CG 3.43Å; F202-R206 PolarHBondContact O-N 3.39Å; F202-R206 VanDerWaalsContact O-N 3.16Å; F202-D318 HydrophobicContact CE2-CB 4.18Å; F202-I319 HydrophobicContact CB-CG1 3.94Å; F202-I319 HydrophobicContact CD2-CG1 4.09Å; F202-I319 HydrophobicContact CG-CG1 4.49Å; F202-W322 AromaticContact CD2-CD1 3.9Å; F202-W322 AromaticContact CE2-CD1 3.47Å; F202-W322 VanDerWaalsContact CE2-CD1 3.47Å; F202-W322 AromaticContact CE2-NE1 3.58Å
203L94.6Very high96.8Very high71 Ų7131.9 Ų31.937%0.37216%0.157SC..Hα-helixtrans-61.7-44.3177.9-67.6173.5000111.3K199 E200 I201 R206K199-L203 HydrophobicContact CG-CD1 4.36Å; K199-L203 WeakPolarHBondContact O-CG 3.5Å; K199-L203 PolarHBondContact O-N 2.91Å; K199-L203 VanDerWaalsContact O-N 3.08Å; E200-L203 PolarHBondContact O-N 3Å; I201-L203 PolarHBondContact O-N 3.47Å; L203-R206 PolarHBondContact O-N 2.94Å
204Y95.8Very high96.8Very high63 Ų6331.5 Ų31.525%0.24716%0.156CC..Hα-helixtrans-62.6-47.6178.7-175.7-82.8000112.4E200 I201 F202 R206 D207 L208 K275 P279E200-Y204 WeakPolarHBondContact O-CB 3.21Å; E200-Y204 PolarHBondContact O-N 2.87Å; I201-Y204 PolarHBondContact O-N 3.33Å; F202-Y204 PolarHBondContact O-N 3.48Å; Y204-R206 VanDerWaalsContact C-N 3.29Å; Y204-R206 PolarHBondContact O-N 3.4Å; Y204-D207 PolarHBondContact O-N 3.06Å; Y204-L208 HydrophobicContact CD1-CD1 4.21Å; Y204-L208 HydrophobicContact CD1-CG 4.3Å; Y204-L208 HydrophobicContact CE1-CD1 3.81Å; Y204-L208 HydrophobicContact CE1-CD2 3.84Å; Y204-L208 HydrophobicContact CE1-CG 3.96Å; Y204-K275 HydrophobicContact CE1-CD 4.42Å; Y204-K275 PolarHBondContact OH-NZ 3.48Å; Y204-P279 HydrophobicContact CE2-CB 3.59Å; Y204-P279 PolarHBondContact OH-O 2.91Å
205L97.7Very high96.8Very high1 Ų138.7 Ų38.71%0.00519%0.188CC..Hα-helixtrans-66.6-29.9-176.7-69.1177.6000112.7I201 F202 D207 L208 I319 W322 L323 R356I201-L205 HydrophobicContact CD1-CD1 4.34Å; I201-L205 HydrophobicContact CD1-CD2 4.32Å; I201-L205 HydrophobicContact CD1-CG 4.02Å; I201-L205 HydrophobicContact CG1-CD1 3.85Å; I201-L205 HydrophobicContact CG1-CG 3.99Å; I201-L205 WeakPolarHBondContact O-CB 3.27Å; I201-L205 VanDerWaalsContact O-CG 3.25Å; I201-L205 WeakPolarHBondContact O-CG 3.2Å; I201-L205 PolarHBondContact O-N 3.24Å; F202-L205 PolarHBondContact O-N 3.04Å; L205-D207 VanDerWaalsContact C-N 3.27Å; L205-D207 PolarHBondContact O-N 3.2Å; L205-L208 HydrophobicContact CD2-CD1 3.88Å; L205-L208 PolarHBondContact O-N 3.05Å; L205-I319 HydrophobicContact CD1-CG2 3.85Å; L205-W322 HydrophobicContact CB-CB 3.81Å; L205-L323 HydrophobicContact CD1-CD2 3.79Å; L205-L323 HydrophobicContact CD1-CG 4.23Å; L205-L323 HydrophobicContact CD2-CD2 4.28Å; L205-R356 PolarHBondContact O-NH2 3.08Å
206R95.1Very high97Very high89 Ų8938.8 Ų38.834%0.33619%0.188SC..Hα-helixtrans-60.1-36.8175.1-81.3177.765.5165.26.3113.3E143 F202 L203 Y204 L208 W322E143-R206 IonicContact OE1-CZ 3.53Å; E143-R206 IonicContact OE1-NH1 2.85Å; E143-R206 PolarHBondContact OE1-NH1 2.6Å; E143-R206 IonicContact OE2-NH1 2.74Å; F202-R206 HydrophobicContact CZ-CG 4.44Å; F202-R206 WeakPolarHBondContact O-CG 3.43Å; F202-R206 PolarHBondContact O-N 3.39Å; F202-R206 VanDerWaalsContact O-N 3.16Å; L203-R206 PolarHBondContact O-N 2.94Å; Y204-R206 VanDerWaalsContact C-N 3.29Å; Y204-R206 PolarHBondContact O-N 3.4Å; R206-L208 VanDerWaalsContact C-N 3.29Å; R206-L208 PolarHBondContact O-N 3.2Å; R206-W322 HydrophobicContact CB-CD2 4.41Å; R206-W322 HydrophobicContact CG-CD2 3.62Å; R206-W322 HydrophobicContact CG-CE3 4.19Å; R206-W322 HydrophobicContact CG-CG 3.83Å; R206-W322 HydrophobicContact CG-CH2 4.49Å; R206-W322 HydrophobicContact CG-CZ2 3.96Å
207D95.2Very high97.1Very high147 Ų14741.5 Ų41.579%0.78621%0.206SC*.THydrogen-bonded Turntrans-81.9-9.8-176.1-68.1-18000112.7Y204 L205Y204-D207 PolarHBondContact O-N 3.06Å; L205-D207 VanDerWaalsContact C-N 3.27Å; L205-D207 PolarHBondContact O-N 3.2Å
208L96.6Very high97Very high31 Ų3146.8 Ų46.816%0.16223%0.231CC..SBendtrans-76.9153.3177.4-65.2-177.2000112.9Y204 L205 R206 V212 P324 R356Y204-L208 HydrophobicContact CD1-CD1 4.21Å; Y204-L208 HydrophobicContact CD1-CG 4.3Å; Y204-L208 HydrophobicContact CE1-CD1 3.81Å; Y204-L208 HydrophobicContact CE1-CD2 3.84Å; Y204-L208 HydrophobicContact CE1-CG 3.96Å; L205-L208 HydrophobicContact CD2-CD1 3.88Å; L205-L208 PolarHBondContact O-N 3.05Å; R206-L208 VanDerWaalsContact C-N 3.29Å; R206-L208 PolarHBondContact O-N 3.2Å; L208-V212 HydrophobicContact CB-CG2 4.45Å; L208-V212 HydrophobicContact CD1-CG2 4.43Å; L208-P324 HydrophobicContact CB-CG 4.38Å; L208-P324 HydrophobicContact CD1-CG 3.64Å; L208-R356 PolarHBondContact O-NH1 3.16Å; L208-R356 PolarHBondContact O-NH2 3.22Å
209P96.8Very high97Very high49 Ų4955.4 Ų55.432%0.31827%0.268SS..  trans-73.9165.9164.433.1-36.6000111.8L211 V212 K352P209-L211 VanDerWaalsContact C-N 3.32Å; P209-L211 WeakPolarHBondContact CB-O 3.27Å; P209-L211 WeakPolarHBondContact CG-O 3.42Å; P209-V212 HydrophobicContact CG-CG2 4Å; P209-K352 HydrophobicContact CB-CG 4.47Å
210S98.3Very high97.1Very high3 Ų355.3 Ų55.32%0.02127%0.274CS..SBendtrans-73.3-26.4176.2-60.10000113L325 C326 V354 R356S210-L325 PolarHBondContact O-N 3.01Å; S210-C326 PolarHBondContact O-N 3.2Å; S210-C326 VanDerWaalsContact O-N 3.17Å; S210-V354 PolarHBondContact OG-O 3.33Å; S210-R356 WeakPolarHBondContact OG-CD 3.48Å; S210-R356 PolarHBondContact OG-NH1 3Å; S210-R356 VanDerWaalsContact OG-NH1 3.14Å
211L98.7Very high97.2Very high3 Ų355.9 Ų55.92%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-115.6115.9168.4175.966.3000108.2P209 C326 L328 L334 L348 I351 K352P209-L211 VanDerWaalsContact C-N 3.32Å; P209-L211 WeakPolarHBondContact CB-O 3.27Å; P209-L211 WeakPolarHBondContact CG-O 3.42Å; L211-C326 WeakPolarHBondContact CA-O 3.39Å; L211-C326 HydrophobicContact CD1-CB 3.32Å; L211-L328 HydrophobicContact CD1-CB 4.09Å; L211-L328 HydrophobicContact CG-CB 4.47Å; L211-L334 HydrophobicContact CD1-CD1 3.52Å; L211-L348 HydrophobicContact CD2-CB 3.92Å; L211-L348 HydrophobicContact CD2-CD2 4.25Å; L211-I351 HydrophobicContact CB-CG2 4.17Å; L211-K352 HydrophobicContact CB-CB 4.12Å; L211-K352 HydrophobicContact CB-CG 4.4Å
212V98.6Very high97.3Very high15 Ų1556.1 Ų56.19%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-100.1124.5-178.21750000110.3L208 P209 Y283 P324 C326 H327 L328L208-V212 HydrophobicContact CB-CG2 4.45Å; L208-V212 HydrophobicContact CD1-CG2 4.43Å; P209-V212 HydrophobicContact CG-CG2 4Å; V212-Y283 HydrophobicContact CG1-CD1 4.41Å; V212-Y283 HydrophobicContact CG1-CE1 4.38Å; V212-P324 HydrophobicContact CG2-CB 3.88Å; V212-P324 HydrophobicContact CG2-CG 3.79Å; V212-C326 PolarHBondContact N-O 3.42Å; V212-H327 CarbonylContact O-C 3.43Å; V212-H327 VanDerWaalsContact O-CA 3.26Å; V212-H327 WeakPolarHBondContact O-CA 3.49Å; V212-L328 PolarHBondContact O-N 2.95Å
213D98.4Very high97.4Very high76 Ų7655.9 Ų55.941%0.40628%0.275SS..EExtended strand (participates in β ladder)trans-78.5129.4175.2-59.9-68.5000110.4K352D213-K352 IonicContact OD2-NZ 2.62Å; D213-K352 PolarHBondContact OD2-NZ 3.38Å; D213-K352 VanDerWaalsContact OD2-NZ 3.08Å
214I98.4Very high97.6Very high6 Ų652.5 Ų52.53%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-118.8122.2178.1-58.7-176.4000109V216 F222 Y283 H327 L328 I329 N330I214-V216 HydrophobicContact CG2-CG2 4.09Å; I214-F222 HydrophobicContact CD1-CE2 4.33Å; I214-F222 HydrophobicContact CD1-CZ 3.71Å; I214-F222 HydrophobicContact CG2-CD2 4.35Å; I214-F222 HydrophobicContact CG2-CE2 3.7Å; I214-F222 HydrophobicContact CG2-CZ 4Å; I214-Y283 HydrophobicContact CD1-CD1 3.66Å; I214-Y283 HydrophobicContact CD1-CD2 3.75Å; I214-Y283 HydrophobicContact CD1-CE1 3.84Å; I214-Y283 HydrophobicContact CD1-CE2 3.92Å; I214-Y283 HydrophobicContact CD1-CG 3.6Å; I214-Y283 HydrophobicContact CG1-CD1 3.98Å; I214-Y283 HydrophobicContact CG1-CE1 3.7Å; I214-Y283 HydrophobicContact CG1-CE2 4.32Å; I214-Y283 HydrophobicContact CG1-CG 4.39Å; I214-Y283 HydrophobicContact CG2-CE2 4.14Å; I214-H327 HydrophobicContact CD1-CB 3.83Å; I214-H327 HydrophobicContact CG1-CB 4.37Å; I214-L328 PolarHBondContact N-O 2.84Å; I214-I329 HydrophobicContact CB-CG1 4.28Å; I214-I329 HydrophobicContact CD1-CG1 4.34Å; I214-N330 PolarHBondContact O-N 3.28Å; I214-N330 PolarHBondContact O-OD1 3.48Å
215K97.8Very high97.7Very high153 Ų15349.5 Ų49.567%0.66525%0.246SC*.  trans-99114.4169.8-174168.4-175.2164.80111
216V98Very high97.8Very high3 Ų349.5 Ų49.52%0.01825%0.246CC..  trans-98.1113.2171.3-173.40000107.9I214 F222 I329 N330 M458I214-V216 HydrophobicContact CG2-CG2 4.09Å; V216-F222 HydrophobicContact CB-CB 4.46Å; V216-F222 HydrophobicContact CG1-CB 3.85Å; V216-F222 HydrophobicContact CG2-CB 3.71Å; V216-F222 HydrophobicContact CG2-CD1 4.48Å; V216-F222 HydrophobicContact CG2-CD2 3.62Å; V216-F222 HydrophobicContact CG2-CE2 4.38Å; V216-F222 HydrophobicContact CG2-CG 3.69Å; V216-I329 HydrophobicContact CG2-CG2 3.75Å; V216-N330 WeakPolarHBondContact CA-OD1 3.41Å; V216-N330 WeakPolarHBondContact CB-OD1 3.26Å; V216-N330 PolarHBondContact N-OD1 2.93Å; V216-N330 PolarHBondContact O-ND2 3.3Å; V216-N330 PolarHBondContact O-OD1 3.39Å; V216-M458 HydrophobicContact CB-CE 4.42Å
217P97.3Very high98Very high61 Ų6145.2 Ų45.240%0.39623%0.23SC..  trans-61.3153.8-179.9-1930.2000112.1K219 S220P217-K219 PolarHBondContact O-N 3.49Å; P217-S220 WeakPolarHBondContact O-CB 3.33Å; P217-S220 PolarHBondContact O-N 3.26Å; P217-S220 PolarHBondContact O-OG 3.44Å
218E97.2Very high98.1Very high113 Ų11338.3 Ų38.353%0.52819%0.193SC..THydrogen-bonded Turntrans-47.4137.3175.8-74.6-166.3159.400112.2S220 G451E218-S220 PolarHBondContact O-N 3.37Å; E218-S220 PolarHBondContact O-OG 2.91Å; E218-G451 CarbonylContact C-O 3.44Å; E218-G451 WeakPolarHBondContact CA-O 2.97Å
219K96.6Very high98.2Very high180 Ų18037 Ų3778%0.78319%0.186SC*.THydrogen-bonded Turntrans60.83.8177.9-54.6173.7-174.9171.30114.6P217 G451P217-K219 PolarHBondContact O-N 3.49Å; K219-G451 PolarHBondContact N-O 2.95Å
220S97.9Very high98.3Very high47 Ų4734.7 Ų34.733%0.32917%0.171SC..  trans-86.2144.6177.5-57.90000110.4P217 E218 I450 G451P217-S220 WeakPolarHBondContact O-CB 3.33Å; P217-S220 PolarHBondContact O-N 3.26Å; P217-S220 PolarHBondContact O-OG 3.44Å; E218-S220 PolarHBondContact O-N 3.37Å; E218-S220 PolarHBondContact O-OG 2.91Å; S220-I450 WeakPolarHBondContact O-CA 3.14Å; S220-G451 PolarHBondContact O-N 3.11Å
221K98Very high98.3Very high59 Ų5935.5 Ų35.526%0.25717%0.174SC..EExtended strand (participates in β ladder)trans-77.6142.4178.9-172.3-171.6171-161.50110.8N242 N249 P250 T448 L449K221-N242 WeakPolarHBondContact CE-OD1 3.37Å; K221-N242 PolarHBondContact NZ-ND2 3.08Å; K221-N242 PolarHBondContact NZ-O 2.99Å; K221-N242 VanDerWaalsContact NZ-O 3.16Å; K221-N242 PolarHBondContact NZ-OD1 3.47Å; K221-N249 PolarHBondContact NZ-OD1 3.45Å; K221-P250 WeakPolarHBondContact O-CD 3.39Å; K221-P250 VanDerWaalsContact O-CG 3.24Å; K221-P250 WeakPolarHBondContact O-CG 3.4Å; K221-T448 HydrophobicContact CD-CG2 4.25Å; K221-T448 HydrophobicContact CG-CG2 3.65Å; K221-L449 WeakPolarHBondContact CA-O 3.42Å
222F98.8Very high98.3Very high4 Ų435.4 Ų35.42%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-139.4134.9167.3-169.2-89.8000110.7I214 V216 V224 P250 L252 Y283 I329 L449I214-F222 HydrophobicContact CD1-CE2 4.33Å; I214-F222 HydrophobicContact CD1-CZ 3.71Å; I214-F222 HydrophobicContact CG2-CD2 4.35Å; I214-F222 HydrophobicContact CG2-CE2 3.7Å; I214-F222 HydrophobicContact CG2-CZ 4Å; V216-F222 HydrophobicContact CB-CB 4.46Å; V216-F222 HydrophobicContact CG1-CB 3.85Å; V216-F222 HydrophobicContact CG2-CB 3.71Å; V216-F222 HydrophobicContact CG2-CD1 4.48Å; V216-F222 HydrophobicContact CG2-CD2 3.62Å; V216-F222 HydrophobicContact CG2-CE2 4.38Å; V216-F222 HydrophobicContact CG2-CG 3.69Å; F222-V224 HydrophobicContact CD1-CG2 4.1Å; F222-V224 HydrophobicContact CE1-CG2 3.96Å; F222-P250 HydrophobicContact CB-CG 4.46Å; F222-P250 HydrophobicContact CD2-CB 3.82Å; F222-P250 HydrophobicContact CD2-CG 3.6Å; F222-P250 HydrophobicContact CE2-CB 3.96Å; F222-P250 HydrophobicContact CE2-CG 4.26Å; F222-P250 HydrophobicContact CG-CG 4.39Å; F222-L252 HydrophobicContact CE1-CB 3.76Å; F222-L252 HydrophobicContact CZ-CB 3.83Å; F222-Y283 AromaticContact CE2-CD2 3.93Å; F222-Y283 HydrophobicContact CE2-CD2 3.93Å; F222-Y283 AromaticContact CE2-CE2 3.77Å; F222-Y283 HydrophobicContact CE2-CE2 3.77Å; F222-Y283 AromaticContact CZ-CD2 3.86Å; F222-Y283 HydrophobicContact CZ-CD2 3.86Å; F222-Y283 HydrophobicContact CZ-CE2 4.13Å; F222-I329 HydrophobicContact CD1-CD1 3.98Å; F222-I329 HydrophobicContact CE1-CD1 3.68Å; F222-I329 HydrophobicContact CE1-CG1 4.37Å; F222-L449 HydrophobicContact CB-CB 4.5Å; F222-L449 PolarHBondContact N-O 3.21Å; F222-L449 PolarHBondContact O-N 2.9Å
223T98.9Very high98.3Very high0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-111.2132.7-176.5-47.70000111.2N242 P250 Y251 L252 F446 I447T223-N242 WeakPolarHBondContact CG2-ND2 3.17Å; T223-N242 PolarHBondContact OG1-ND2 3.15Å; T223-P250 PolarHBondContact N-O 3.39Å; T223-Y251 HydrophobicContact CG2-CD1 3.78Å; T223-Y251 HydrophobicContact CG2-CE1 3.67Å; T223-Y251 CarbonylContact O-C 3.53Å; T223-Y251 VanDerWaalsContact O-CA 3.32Å; T223-Y251 WeakPolarHBondContact O-CA 3.04Å; T223-L252 PolarHBondContact O-N 3.32Å; T223-F446 HydrophobicContact CG2-CB 4.08Å; T223-F446 HydrophobicContact CG2-CD2 3.73Å; T223-F446 HydrophobicContact CG2-CG 4.13Å; T223-I447 CarbonylContact C-O 3.53Å; T223-I447 VanDerWaalsContact CA-O 3.27Å; T223-I447 WeakPolarHBondContact CA-O 3.5Å
224V99Very high98.3Very high0 Ų032.4 Ų32.40%016%0.155CC..EExtended strand (participates in β ladder)trans-112.8123.4169.8-173.60000109F222 L252 I329 V335 I409 F446 I447 L449F222-V224 HydrophobicContact CD1-CG2 4.1Å; F222-V224 HydrophobicContact CE1-CG2 3.96Å; V224-L252 CarbonylContact C-O 3.56Å; V224-L252 WeakPolarHBondContact CA-O 3.45Å; V224-L252 HydrophobicContact CG1-CD2 4.31Å; V224-L252 HydrophobicContact CG1-CG 4.36Å; V224-L252 HydrophobicContact CG2-CB 4.45Å; V224-L252 HydrophobicContact CG2-CD2 4.4Å; V224-I329 HydrophobicContact CG2-CD1 4.06Å; V224-V335 HydrophobicContact CG1-CG1 4.15Å; V224-I409 HydrophobicContact CG1-CG2 4.18Å; V224-I409 HydrophobicContact CG2-CD1 4.24Å; V224-F446 WeakPolarHBondContact O-CA 3.39Å; V224-I447 HydrophobicContact CB-CB 4.29Å; V224-I447 PolarHBondContact N-O 3.43Å; V224-I447 PolarHBondContact O-N 3.05Å; V224-L449 HydrophobicContact CG2-CD1 4.37Å
225C99Very high98.3Very high0 Ų032.1 Ų32.10%015%0.154CC..EExtended strand (participates in β ladder)trans-107.4144.8172.7-58.70000109.1L252 F253 N254C225-L252 PolarHBondContact N-O 2.82Å; C225-F253 HydrophobicContact CB-CD1 3.53Å; C225-F253 HydrophobicContact CB-CE1 3.58Å; C225-F253 HydrophobicContact CB-CG 4.07Å; C225-F253 HydrophobicContact CB-CZ 4.15Å; C225-N254 WeakPolarHBondContact O-CB 3.39Å; C225-N254 PolarHBondContact O-N 3.05Å
226G98.8Very high98.4Very high0 Ų025.6 Ų25.60%013%0.126CC..  trans-89.1-147171.600000111.9S432G226-S432 PolarHBondContact N-OG 3.13Å
227D98.9Very high98.4Very high0 Ų026.5 Ų26.50%013%0.13CC..BIsolated β-bridgetrans-58.9141.9-178.1-48.7-138.4000111.6H229 D256 H337 S411 H412 F431 S432 A433D227-H229 IonicContact OD1-NE2 3.85Å; D227-D256 HydrophobicContact CB-CB 3.95Å; D227-D256 WeakPolarHBondContact OD1-CB 3.48Å; D227-H337 IonicContact OD1-CE1 3.43Å; D227-H337 PolarHBondContact OD1-CE1 2.93Å; D227-H337 IonicContact OD2-CE1 2.83Å; D227-S411 WeakPolarHBondContact OD2-CB 3.4Å; D227-H412 WeakPolarHBondContact OD1-CA 3.34Å; D227-H412 PolarHBondContact OD1-N 3.36Å; D227-H412 PolarHBondContact OD2-N 3.32Å; D227-F431 HydrophobicContact CB-CD2 3.64Å; D227-F431 HydrophobicContact CB-CE2 3.39Å; D227-F431 HydrophobicContact CB-CG 4.34Å; D227-F431 HydrophobicContact CB-CZ 3.9Å; D227-F431 VanDerWaalsContact OD1-CE2 3.25Å; D227-F431 WeakPolarHBondContact OD1-CE2 3.35Å; D227-F431 WeakPolarHBondContact OD2-CD2 3.46Å; D227-S432 CarbonylContact O-C 3.54Å; D227-S432 WeakPolarHBondContact O-CA 3.4Å; D227-S432 VanDerWaalsContact O-CB 3.25Å; D227-S432 WeakPolarHBondContact O-CB 3.43Å; D227-S432 PolarHBondContact O-N 3.39Å; D227-A433 PolarHBondContact O-N 2.82Å
228I98.6Very high98.5Very high1 Ų123.6 Ų23.61%0.00511%0.112CC..  trans-121.4-31.1176.1-61.8-66.1000111.5G230 Q231 L235 I238 F253 D256I228-G230 PolarHBondContact O-N 3.33Å; I228-Q231 VanDerWaalsContact O-CB 3.28Å; I228-Q231 WeakPolarHBondContact O-CB 3.14Å; I228-Q231 WeakPolarHBondContact O-CG 3.2Å; I228-Q231 PolarHBondContact O-N 3.48Å; I228-L235 HydrophobicContact CD1-CD1 4.39Å; I228-L235 HydrophobicContact CG2-CB 4.12Å; I228-I238 HydrophobicContact CD1-CD1 3.51Å; I228-F253 HydrophobicContact CD1-CD1 4.37Å; I228-F253 HydrophobicContact CD1-CE1 4.06Å; I228-F253 HydrophobicContact CG1-CD1 3.94Å; I228-F253 HydrophobicContact CG1-CE1 4.04Å; I228-D256 PolarHBondContact N-O 3.17Å
229H98.5Very high98.6Very high4 Ų418.6 Ų18.62%0.0199%0.088CC..THydrogen-bonded Turntrans47.951.6173.1-80.2-57.4000114.9D227 Q231 D256 V258 D259 R260 G261 H289 F431 Y436D227-H229 IonicContact OD1-NE2 3.85Å; H229-Q231 PolarHBondContact O-N 2.93Å; H229-Q231 VanDerWaalsContact O-N 3.08Å; H229-D256 IonicContact CE1-OD2 3.71Å; H229-D256 PolarHBondContact CE1-OD2 3.43Å; H229-D256 PolarHBondContact N-O 2.87Å; H229-D256 IonicContact NE2-OD2 2.67Å; H229-V258 PolarHBondContact ND1-O 3.04Å; H229-D259 CarbonylContact C-O 3.58Å; H229-D259 WeakPolarHBondContact CA-O 3.19Å; H229-D259 WeakPolarHBondContact CB-O 3.37Å; H229-D259 VanDerWaalsContact O-O 3.05Å; H229-R260 HydrophobicContact CB-CB 4.17Å; H229-R260 HydrophobicContact CB-CG 4.27Å; H229-G261 WeakPolarHBondContact O-CA 3.25Å; H229-G261 PolarHBondContact O-N 2.92Å; H229-H289 AromaticContact CE1-CD2 3.51Å; H229-H289 AromaticContact CE1-CE1 3.97Å; H229-H289 AromaticContact CE1-CG 3.74Å; H229-H289 AromaticContact CE1-NE2 3.66Å; H229-F431 AromaticContact CD2-CZ 3.92Å; H229-Y436 HydrophobicContact CB-CD2 4.45Å; H229-Y436 HydrophobicContact CB-CE2 3.73Å; H229-Y436 AromaticContact CD2-CE2 3.2Å; H229-Y436 WeakPolarHBondContact CD2-CE2 3.29Å; H229-Y436 AromaticContact CD2-CZ 3.55Å; H229-Y436 PolarHBondContact CD2-OH 3.19Å; H229-Y436 VanDerWaalsContact CD2-OH 3.26Å; H229-Y436 AromaticContact CG-CE2 3.6Å; H229-Y436 AromaticContact NE2-CE2 3.87Å; H229-Y436 AromaticContact NE2-CZ 3.71Å; H229-Y436 PolarHBondContact NE2-OH 3.05Å
230G98.5Very high98.7Very high0 Ų017.6 Ų17.60%09%0.086CC..THydrogen-bonded Turntrans63.217.1177.400000115.6I228 F232 F257 F263I228-G230 PolarHBondContact O-N 3.33Å; G230-F232 VanDerWaalsContact C-N 3.32Å; G230-F232 PolarHBondContact O-N 2.96Å; G230-F232 VanDerWaalsContact O-N 3.16Å; G230-F257 PolarHBondContact N-O 3.08Å; G230-F263 CarbonylContact O-C 3.53Å; G230-F263 WeakPolarHBondContact O-CA 3.39Å; G230-F263 WeakPolarHBondContact O-CB 3.45Å; G230-F263 PolarHBondContact O-N 3.45Å
231Q98.6Very high98.7Very high21 Ų2119 Ų1910%0.0989%0.089CC..  trans-85.369173.7-65.2-176.7-120.900111.3I228 H229 Y233 D234 L235 P434I228-Q231 VanDerWaalsContact O-CB 3.28Å; I228-Q231 WeakPolarHBondContact O-CB 3.14Å; I228-Q231 WeakPolarHBondContact O-CG 3.2Å; I228-Q231 PolarHBondContact O-N 3.48Å; H229-Q231 PolarHBondContact O-N 2.93Å; H229-Q231 VanDerWaalsContact O-N 3.08Å; Q231-Y233 VanDerWaalsContact C-N 3.28Å; Q231-Y233 PolarHBondContact O-N 2.82Å; Q231-D234 HydrophobicContact CB-CB 4.08Å; Q231-D234 PolarHBondContact NE2-OD2 2.77Å; Q231-D234 PolarHBondContact O-N 3.17Å; Q231-D234 VanDerWaalsContact O-N 3.13Å; Q231-L235 PolarHBondContact O-N 3.09Å; Q231-P434 PolarHBondContact NE2-O 3.05Å
232F98.8Very high98.7Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-55.5-38.6-174.5172.6-103.2000113.9Y183 K184 G230 L235 M236 F263 E266 C267Y183-F232 AromaticContact CD2-CE2 3.99Å; Y183-F232 HydrophobicContact CD2-CE2 3.99Å; Y183-F232 HydrophobicContact CD2-CZ 4.21Å; Y183-F232 HydrophobicContact CG-CE2 4.44Å; Y183-F232 HydrophobicContact CG-CZ 4.29Å; K184-F232 HydrophobicContact CG-CE1 3.87Å; K184-F232 HydrophobicContact CG-CZ 4.42Å; G230-F232 VanDerWaalsContact C-N 3.32Å; G230-F232 PolarHBondContact O-N 2.96Å; G230-F232 VanDerWaalsContact O-N 3.16Å; F232-L235 WeakPolarHBondContact O-CB 3.45Å; F232-L235 PolarHBondContact O-N 3.01Å; F232-M236 HydrophobicContact CD1-CG 4.34Å; F232-M236 HydrophobicContact CD2-CE 4.21Å; F232-M236 HydrophobicContact CE1-CG 3.81Å; F232-M236 HydrophobicContact CE1-SD 4.39Å; F232-M236 HydrophobicContact CE2-CE 3.58Å; F232-M236 HydrophobicContact CE2-CG 4.06Å; F232-M236 HydrophobicContact CE2-SD 3.9Å; F232-M236 HydrophobicContact CZ-CE 3.99Å; F232-M236 HydrophobicContact CZ-CG 3.64Å; F232-M236 HydrophobicContact CZ-SD 3.64Å; F232-M236 WeakPolarHBondContact O-CG 3.24Å; F232-M236 PolarHBondContact O-N 2.94Å; F232-F263 HydrophobicContact CB-CB 3.55Å; F232-F263 HydrophobicContact CB-CG 4.34Å; F232-E266 HydrophobicContact CB-CB 4.01Å; F232-E266 HydrophobicContact CD1-CB 4.33Å; F232-E266 HydrophobicContact CD2-CB 3.57Å; F232-E266 HydrophobicContact CE2-CB 4.12Å; F232-E266 HydrophobicContact CG-CB 3.69Å; F232-C267 WeakPolarHBondContact CA-SG 2.84Å; F232-C267 PolarHBondContact N-SG 3.02Å; F232-C267 VanDerWaalsContact N-SG 3.42Å
233Y98.7Very high98.7Very high26 Ų2618.2 Ų18.210%0.10210%0.095CC..Hα-helixtrans-69.9-35.6-178.6-64.2-92.9000111.8K184 Q231 M236 N237 F263 V468 H470 P471K184-Y233 PolarHBondContact O-OH 2.97Å; Q231-Y233 VanDerWaalsContact C-N 3.28Å; Q231-Y233 PolarHBondContact O-N 2.82Å; Y233-M236 WeakPolarHBondContact O-CB 3.38Å; Y233-M236 PolarHBondContact O-N 2.83Å; Y233-N237 PolarHBondContact O-N 2.89Å; Y233-F263 HydrophobicContact CD2-CD2 4.3Å; Y233-F263 HydrophobicContact CD2-CE2 4.3Å; Y233-F263 HydrophobicContact CE2-CD1 4.12Å; Y233-F263 HydrophobicContact CE2-CD2 4.1Å; Y233-F263 AromaticContact CE2-CE1 3.98Å; Y233-F263 HydrophobicContact CE2-CE1 3.98Å; Y233-F263 AromaticContact CE2-CE2 3.97Å; Y233-F263 HydrophobicContact CE2-CE2 3.97Å; Y233-F263 HydrophobicContact CE2-CG 4.18Å; Y233-F263 AromaticContact CE2-CZ 3.91Å; Y233-F263 HydrophobicContact CE2-CZ 3.91Å; Y233-V468 WeakPolarHBondContact O-CG2 3.31Å; Y233-H470 HydrophobicContact CD2-CB 3.48Å; Y233-H470 VanDerWaalsContact CD2-CB 3.48Å; Y233-H470 HydrophobicContact CE2-CB 4.17Å; Y233-H470 HydrophobicContact CG-CB 3.77Å; Y233-P471 HydrophobicContact CE1-CG 4.25Å; Y233-P471 HydrophobicContact CE2-CG 3.84Å; Y233-P471 WeakPolarHBondContact OH-CD 3.45Å; Y233-P471 WeakPolarHBondContact OH-CG 3.32Å
234D98.7Very high98.7Very high2 Ų221.5 Ų21.51%0.01111%0.112CC..Hα-helixtrans-71-35.3172.7-62.5-60.4000111.6Q231 M236 N237 I238 P434 A467 V468Q231-D234 HydrophobicContact CB-CB 4.08Å; Q231-D234 PolarHBondContact NE2-OD2 2.77Å; Q231-D234 PolarHBondContact O-N 3.17Å; Q231-D234 VanDerWaalsContact O-N 3.13Å; D234-M236 VanDerWaalsContact C-N 3.32Å; D234-M236 PolarHBondContact O-N 2.96Å; D234-N237 CarbonylContact O-C 3.55Å; D234-N237 WeakPolarHBondContact O-CA 3.45Å; D234-N237 WeakPolarHBondContact O-CB 3.26Å; D234-N237 PolarHBondContact O-N 2.84Å; D234-N237 VanDerWaalsContact O-N 3.1Å; D234-I238 WeakPolarHBondContact O-CG1 3.33Å; D234-I238 PolarHBondContact O-N 2.83Å; D234-P434 HydrophobicContact CB-CG 3.89Å; D234-P434 VanDerWaalsContact CG-CG 3.43Å; D234-P434 WeakPolarHBondContact OD1-CG 3.39Å; D234-A467 VanDerWaalsContact OD1-CA 3.3Å; D234-A467 WeakPolarHBondContact OD1-CA 3.46Å; D234-V468 PolarHBondContact OD1-N 3Å
235L98.8Very high98.7Very high0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-58.8-43169.1175.962.8000111.7I228 Q231 F232 N237 I238 F239 F253 C267 T270 L271I228-L235 HydrophobicContact CD1-CD1 4.39Å; I228-L235 HydrophobicContact CG2-CB 4.12Å; Q231-L235 PolarHBondContact O-N 3.09Å; F232-L235 WeakPolarHBondContact O-CB 3.45Å; F232-L235 PolarHBondContact O-N 3.01Å; L235-N237 VanDerWaalsContact C-N 3.3Å; L235-N237 PolarHBondContact O-N 3.04Å; L235-I238 WeakPolarHBondContact O-CB 3.5Å; L235-I238 PolarHBondContact O-N 2.83Å; L235-F239 HydrophobicContact CD1-CE1 4.26Å; L235-F239 HydrophobicContact CD1-CE2 4.05Å; L235-F239 HydrophobicContact CD1-CZ 3.76Å; L235-F239 HydrophobicContact CG-CE2 4.08Å; L235-F239 HydrophobicContact CG-CZ 4.3Å; L235-F239 PolarHBondContact O-N 3.41Å; L235-F253 HydrophobicContact CD1-CD1 4.49Å; L235-F253 HydrophobicContact CD1-CE1 3.42Å; L235-F253 VanDerWaalsContact CD1-CE1 3.42Å; L235-F253 HydrophobicContact CD1-CZ 3.54Å; L235-C267 HydrophobicContact CD2-CB 4.34Å; L235-T270 HydrophobicContact CD2-CG2 4.31Å; L235-L271 HydrophobicContact CD1-CD2 4.39Å; L235-L271 HydrophobicContact CD2-CD2 4.35Å
236M98.8Very high98.7Very high17 Ų1723.4 Ų23.48%0.08413%0.125CC..Hα-helixtrans-63.1-37.8173.7-64.5-60.19400111.8M180 F232 Y233 D234 F239 Q240 T270M180-M236 HydrophobicContact CB-SD 3.76Å; M180-M236 HydrophobicContact CG-CE 4.01Å; M180-M236 HydrophobicContact CG-SD 3.72Å; M180-M236 HydrophobicContact SD-CE 3.72Å; M180-M236 HydrophobicContact SD-SD 3.6Å; M180-M236 VanDerWaalsContact SD-SD 3.6Å; F232-M236 HydrophobicContact CD1-CG 4.34Å; F232-M236 HydrophobicContact CD2-CE 4.21Å; F232-M236 HydrophobicContact CE1-CG 3.81Å; F232-M236 HydrophobicContact CE1-SD 4.39Å; F232-M236 HydrophobicContact CE2-CE 3.58Å; F232-M236 HydrophobicContact CE2-CG 4.06Å; F232-M236 HydrophobicContact CE2-SD 3.9Å; F232-M236 HydrophobicContact CZ-CE 3.99Å; F232-M236 HydrophobicContact CZ-CG 3.64Å; F232-M236 HydrophobicContact CZ-SD 3.64Å; F232-M236 WeakPolarHBondContact O-CG 3.24Å; F232-M236 PolarHBondContact O-N 2.94Å; Y233-M236 WeakPolarHBondContact O-CB 3.38Å; Y233-M236 PolarHBondContact O-N 2.83Å; D234-M236 VanDerWaalsContact C-N 3.32Å; D234-M236 PolarHBondContact O-N 2.96Å; M236-F239 HydrophobicContact CE-CD2 3.71Å; M236-F239 HydrophobicContact CE-CE2 3.83Å; M236-F239 PolarHBondContact O-N 2.85Å; M236-Q240 PolarHBondContact O-N 2.76Å; M236-T270 HydrophobicContact CE-CG2 3.97Å
237N98.7Very high98.6Very high21 Ų2130.5 Ų30.511%0.11216%0.156CC..Hα-helixtrans-64.9-39.3175.7-173.246.5000112.1Y233 D234 L235 F239 Q240 I241 V468Y233-N237 PolarHBondContact O-N 2.89Å; D234-N237 CarbonylContact O-C 3.55Å; D234-N237 WeakPolarHBondContact O-CA 3.45Å; D234-N237 WeakPolarHBondContact O-CB 3.26Å; D234-N237 PolarHBondContact O-N 2.84Å; D234-N237 VanDerWaalsContact O-N 3.1Å; L235-N237 VanDerWaalsContact C-N 3.3Å; L235-N237 PolarHBondContact O-N 3.04Å; N237-F239 VanDerWaalsContact C-N 3.3Å; N237-F239 PolarHBondContact O-N 3.03Å; N237-Q240 WeakPolarHBondContact O-CB 3.48Å; N237-Q240 PolarHBondContact O-N 2.92Å; N237-Q240 VanDerWaalsContact O-N 3.11Å; N237-I241 VanDerWaalsContact O-CG1 3.29Å; N237-I241 WeakPolarHBondContact O-CG1 3.49Å; N237-I241 PolarHBondContact O-N 2.85Å; N237-V468 HydrophobicContact CB-CG1 3.74Å; N237-V468 HydrophobicContact CB-CG2 4.1Å; N237-V468 WeakPolarHBondContact ND2-CG1 3.34Å
238I98.9Very high98.5Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-55.5-48.1172.2-67.3167.7000110.1I228 D234 L235 Q240 I241 N242 Y251 F446 F465I228-I238 HydrophobicContact CD1-CD1 3.51Å; D234-I238 WeakPolarHBondContact O-CG1 3.33Å; D234-I238 PolarHBondContact O-N 2.83Å; L235-I238 WeakPolarHBondContact O-CB 3.5Å; L235-I238 PolarHBondContact O-N 2.83Å; I238-Q240 VanDerWaalsContact C-N 3.31Å; I238-Q240 PolarHBondContact O-N 2.79Å; I238-I241 PolarHBondContact O-N 3.08Å; I238-N242 WeakPolarHBondContact O-CB 3.27Å; I238-N242 PolarHBondContact O-N 2.77Å; I238-Y251 HydrophobicContact CG2-CE1 4.28Å; I238-F446 HydrophobicContact CG2-CD1 4.09Å; I238-F446 HydrophobicContact CG2-CE1 4.49Å; I238-F465 HydrophobicContact CD1-CE1 4.34Å; I238-F465 HydrophobicContact CD1-CZ 3.72Å; I238-F465 HydrophobicContact CG1-CE1 3.8Å; I238-F465 HydrophobicContact CG1-CE2 4Å; I238-F465 HydrophobicContact CG1-CZ 3.37Å
239F98.8Very high98.5Very high8 Ų838.2 Ų38.24%0.03520%0.197CC..Hα-helixtrans-67.7-29.9177.9-63-26.7000113.4M180 L235 M236 N237 G243 L244 P245 Y251 F253 T270 F274M180-F239 HydrophobicContact SD-CD2 4.23Å; M180-F239 HydrophobicContact SD-CE2 4.48Å; L235-F239 HydrophobicContact CD1-CE1 4.26Å; L235-F239 HydrophobicContact CD1-CE2 4.05Å; L235-F239 HydrophobicContact CD1-CZ 3.76Å; L235-F239 HydrophobicContact CG-CE2 4.08Å; L235-F239 HydrophobicContact CG-CZ 4.3Å; L235-F239 PolarHBondContact O-N 3.41Å; M236-F239 HydrophobicContact CE-CD2 3.71Å; M236-F239 HydrophobicContact CE-CE2 3.83Å; M236-F239 PolarHBondContact O-N 2.85Å; N237-F239 VanDerWaalsContact C-N 3.3Å; N237-F239 PolarHBondContact O-N 3.03Å; F239-G243 CarbonylContact O-C 3.55Å; F239-G243 WeakPolarHBondContact O-CA 3.2Å; F239-G243 PolarHBondContact O-N 3.39Å; F239-L244 HydrophobicContact CB-CD2 3.99Å; F239-L244 HydrophobicContact CD2-CD2 4.25Å; F239-L244 HydrophobicContact CG-CD2 4.3Å; F239-P245 HydrophobicContact CD1-CG 4.14Å; F239-P245 HydrophobicContact CE1-CG 3.63Å; F239-P245 HydrophobicContact CE2-CG 4.49Å; F239-P245 HydrophobicContact CZ-CG 3.84Å; F239-Y251 HydrophobicContact CD1-CE1 4.45Å; F239-Y251 HydrophobicContact CE1-CE1 4.39Å; F239-F253 HydrophobicContact CE1-CE2 4.08Å; F239-F253 AromaticContact CE1-CZ 3.75Å; F239-F253 HydrophobicContact CE1-CZ 3.75Å; F239-F253 HydrophobicContact CZ-CE2 4.29Å; F239-F253 AromaticContact CZ-CZ 3.99Å; F239-F253 HydrophobicContact CZ-CZ 3.99Å; F239-T270 HydrophobicContact CE2-CG2 4.07Å; F239-F274 HydrophobicContact CD2-CE2 4.33Å; F239-F274 HydrophobicContact CE2-CD2 4.15Å; F239-F274 AromaticContact CE2-CE2 3.7Å; F239-F274 HydrophobicContact CE2-CE2 3.7Å; F239-F274 HydrophobicContact CZ-CD2 4.22Å; F239-F274 HydrophobicContact CZ-CE2 4.17Å
240Q98.4Very high98.5Very high160 Ų16038.6 Ų38.675%0.74820%0.2SC*.Hα-helixtrans-68.5-41.6173.3-177.1175.5-900111.8M236 N237 I238M236-Q240 PolarHBondContact O-N 2.76Å; N237-Q240 WeakPolarHBondContact O-CB 3.48Å; N237-Q240 PolarHBondContact O-N 2.92Å; N237-Q240 VanDerWaalsContact O-N 3.11Å; I238-Q240 VanDerWaalsContact C-N 3.31Å; I238-Q240 PolarHBondContact O-N 2.79Å
241I98.7Very high98.5Very high76 Ų7638.6 Ų38.639%0.3920%0.2SC..Hα-helixtrans-72.9-47.8-179.7-65.9165.4000110.8N237 I238 F446 T463 F465N237-I241 VanDerWaalsContact O-CG1 3.29Å; N237-I241 WeakPolarHBondContact O-CG1 3.49Å; N237-I241 PolarHBondContact O-N 2.85Å; I238-I241 PolarHBondContact O-N 3.08Å; I241-F446 HydrophobicContact CB-CE1 4.47Å; I241-F446 HydrophobicContact CG2-CE1 4.04Å; I241-F446 HydrophobicContact CG2-CZ 3.87Å; I241-T463 HydrophobicContact CG2-CG2 4.15Å; I241-F465 HydrophobicContact CD1-CB 3.63Å; I241-F465 HydrophobicContact CD1-CD1 4.46Å; I241-F465 HydrophobicContact CD1-CG 4Å
242N98.6Very high98.5Very high18 Ų1837.6 Ų37.610%0.09620%0.196CC..Hα-helixtrans-103.6-0.7-166.4-16455.5000113.7K221 T223 I238 N249 Y251 F446K221-N242 WeakPolarHBondContact CE-OD1 3.37Å; K221-N242 PolarHBondContact NZ-ND2 3.08Å; K221-N242 PolarHBondContact NZ-O 2.99Å; K221-N242 VanDerWaalsContact NZ-O 3.16Å; K221-N242 PolarHBondContact NZ-OD1 3.47Å; T223-N242 WeakPolarHBondContact CG2-ND2 3.17Å; T223-N242 PolarHBondContact OG1-ND2 3.15Å; I238-N242 WeakPolarHBondContact O-CB 3.27Å; I238-N242 PolarHBondContact O-N 2.77Å; N242-N249 PolarHBondContact O-ND2 3.38Å; N242-N249 PolarHBondContact O-OD1 3.47Å; N242-Y251 VanDerWaalsContact CB-OH 3.27Å; N242-Y251 WeakPolarHBondContact CB-OH 3.43Å; N242-Y251 WeakPolarHBondContact ND2-CE1 3.43Å; N242-Y251 PolarHBondContact ND2-OH 2.97Å; N242-Y251 PolarHBondContact O-OH 2.83Å; N242-F446 HydrophobicContact CB-CE1 4.05Å; N242-F446 HydrophobicContact CB-CE2 3.89Å; N242-F446 HydrophobicContact CB-CZ 3.55Å; N242-F446 VanDerWaalsContact CG-CE2 3.5Å; N242-F446 VanDerWaalsContact OD1-CE2 3.29Å; N242-F446 WeakPolarHBondContact OD1-CE2 3.32Å
243G98.6Very high98.5Very high29 Ų2937.6 Ų37.630%0.29920%0.196SC..  trans86.6153.4-176.400000112.7F239 N249 Y251F239-G243 CarbonylContact O-C 3.55Å; F239-G243 WeakPolarHBondContact O-CA 3.2Å; F239-G243 PolarHBondContact O-N 3.39Å; G243-N249 VanDerWaalsContact C-ND2 3.29Å; G243-N249 PolarHBondContact O-ND2 2.95Å; G243-Y251 PolarHBondContact O-OH 2.93Å
244L98.6Very high98.5Very high68 Ų6836.3 Ų36.336%0.35619%0.191SC..  trans-61151.7175.2-75.1169.1000111.6L177 M180 F239 S246 N249 F274L177-L244 HydrophobicContact CD2-CD1 3.62Å; M180-L244 HydrophobicContact CE-CD2 3.74Å; M180-L244 HydrophobicContact SD-CD2 4.24Å; F239-L244 HydrophobicContact CB-CD2 3.99Å; F239-L244 HydrophobicContact CD2-CD2 4.25Å; F239-L244 HydrophobicContact CG-CD2 4.3Å; L244-S246 PolarHBondContact O-N 3.09Å; L244-N249 PolarHBondContact O-ND2 3.05Å; L244-F274 HydrophobicContact CD2-CZ 4.12Å
245P98.7Very high98.5Very high4 Ų436.2 Ų36.23%0.02619%0.19CC..  trans-55.7134169-2636.7000111.3F239 Y251 F274 Y278 F282F239-P245 HydrophobicContact CD1-CG 4.14Å; F239-P245 HydrophobicContact CE1-CG 3.63Å; F239-P245 HydrophobicContact CE2-CG 4.49Å; F239-P245 HydrophobicContact CZ-CG 3.84Å; P245-Y251 HydrophobicContact CB-CD2 4.09Å; P245-Y251 HydrophobicContact CB-CE2 4.38Å; P245-Y251 HydrophobicContact CG-CD2 3.96Å; P245-Y251 HydrophobicContact CG-CE2 4.07Å; P245-F274 HydrophobicContact CB-CB 4.36Å; P245-F274 HydrophobicContact CB-CD1 3.66Å; P245-F274 HydrophobicContact CB-CE1 4.02Å; P245-F274 HydrophobicContact CB-CG 3.94Å; P245-F274 HydrophobicContact CG-CB 4.4Å; P245-F274 HydrophobicContact CG-CD1 3.84Å; P245-F274 HydrophobicContact CG-CD2 3.86Å; P245-F274 HydrophobicContact CG-CE1 4Å; P245-F274 HydrophobicContact CG-CE2 4.01Å; P245-F274 HydrophobicContact CG-CG 3.77Å; P245-F274 HydrophobicContact CG-CZ 4.09Å; P245-Y278 HydrophobicContact CB-CD2 4.34Å; P245-Y278 WeakPolarHBondContact O-CE2 3.17Å; P245-F282 HydrophobicContact CB-CD2 3.7Å; P245-F282 HydrophobicContact CB-CE2 3.87Å; P245-F282 HydrophobicContact CG-CD2 3.9Å; P245-F282 HydrophobicContact CG-CE2 3.5Å; P245-F282 VanDerWaalsContact CG-CE2 3.5Å
246S98.4Very high98.5Very high36 Ų3636.3 Ų36.325%0.25219%0.19SC..  trans-155.2179.1177.178.50000110.4L244 D248 N249L244-S246 PolarHBondContact O-N 3.09Å; S246-D248 PolarHBondContact O-N 3.21Å; S246-D248 PolarHBondContact OG-N 3.1Å; S246-N249 PolarHBondContact N-O 3.34Å; S246-N249 CarbonylContact O-C 3.53Å; S246-N249 PolarHBondContact O-N 3.49Å; S246-N249 PolarHBondContact OG-N 2.94Å; S246-N249 VanDerWaalsContact OG-N 3.1Å
247K96.9Very high98.5Very high149 Ų14935.5 Ų35.565%0.64819%0.187SC*.SBendtrans-60.1-29.1174.1-66.7-179.2-178.8176.10113.3Y278K247-Y278 HydrophobicContact CG-CD1 4.11Å; K247-Y278 HydrophobicContact CG-CE1 4.15Å
248D96.9Very high98.5Very high146 Ų14634.5 Ų34.578%0.78118%0.181SC*.SBendtrans-103.6-4.7-177.3-55.8-53.7000112.9S246S246-D248 PolarHBondContact O-N 3.21Å; S246-D248 PolarHBondContact OG-N 3.1Å
249N98.4Very high98.5Very high17 Ų1734.5 Ų34.59%0.09118%0.181CC..SBendtrans-131.172.8176.4-165.138.2000110.1K221 N242 G243 L244 S246 Y251K221-N249 PolarHBondContact NZ-OD1 3.45Å; N242-N249 PolarHBondContact O-ND2 3.38Å; N242-N249 PolarHBondContact O-OD1 3.47Å; G243-N249 VanDerWaalsContact C-ND2 3.29Å; G243-N249 PolarHBondContact O-ND2 2.95Å; L244-N249 PolarHBondContact O-ND2 3.05Å; S246-N249 PolarHBondContact N-O 3.34Å; S246-N249 CarbonylContact O-C 3.53Å; S246-N249 PolarHBondContact O-N 3.49Å; S246-N249 PolarHBondContact OG-N 2.94Å; S246-N249 VanDerWaalsContact OG-N 3.1Å; N249-Y251 WeakPolarHBondContact ND2-CE2 3.4Å; N249-Y251 PolarHBondContact ND2-OH 3.18Å; N249-Y251 VanDerWaalsContact O-CD2 3.25Å; N249-Y251 WeakPolarHBondContact O-CD2 3.3Å; N249-Y251 WeakPolarHBondContact O-CE2 3.41Å
250P98.8Very high98.3Very high12 Ų1235.2 Ų35.28%0.07818%0.184CC..  trans-76.9151.1-177.330.9-34.5000112.6K221 F222 T223 K281K221-P250 WeakPolarHBondContact O-CD 3.39Å; K221-P250 VanDerWaalsContact O-CG 3.24Å; K221-P250 WeakPolarHBondContact O-CG 3.4Å; F222-P250 HydrophobicContact CB-CG 4.46Å; F222-P250 HydrophobicContact CD2-CB 3.82Å; F222-P250 HydrophobicContact CD2-CG 3.6Å; F222-P250 HydrophobicContact CE2-CB 3.96Å; F222-P250 HydrophobicContact CE2-CG 4.26Å; F222-P250 HydrophobicContact CG-CG 4.39Å; T223-P250 PolarHBondContact N-O 3.39Å; P250-K281 CarbonylContact C-O 3.59Å; P250-K281 WeakPolarHBondContact CA-O 3.32Å; P250-K281 HydrophobicContact CB-CB 4.09Å; P250-K281 HydrophobicContact CB-CD 4.3Å; P250-K281 WeakPolarHBondContact CB-O 3.48Å
251Y98.9Very high98.2Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-133.3146-178.7-75.1-98.4000111.9T223 I238 F239 N242 G243 P245 N249 F253 K281 F282 Y283T223-Y251 HydrophobicContact CG2-CD1 3.78Å; T223-Y251 HydrophobicContact CG2-CE1 3.67Å; T223-Y251 CarbonylContact O-C 3.53Å; T223-Y251 VanDerWaalsContact O-CA 3.32Å; T223-Y251 WeakPolarHBondContact O-CA 3.04Å; I238-Y251 HydrophobicContact CG2-CE1 4.28Å; F239-Y251 HydrophobicContact CD1-CE1 4.45Å; F239-Y251 HydrophobicContact CE1-CE1 4.39Å; N242-Y251 VanDerWaalsContact CB-OH 3.27Å; N242-Y251 WeakPolarHBondContact CB-OH 3.43Å; N242-Y251 WeakPolarHBondContact ND2-CE1 3.43Å; N242-Y251 PolarHBondContact ND2-OH 2.97Å; N242-Y251 PolarHBondContact O-OH 2.83Å; G243-Y251 PolarHBondContact O-OH 2.93Å; P245-Y251 HydrophobicContact CB-CD2 4.09Å; P245-Y251 HydrophobicContact CB-CE2 4.38Å; P245-Y251 HydrophobicContact CG-CD2 3.96Å; P245-Y251 HydrophobicContact CG-CE2 4.07Å; N249-Y251 WeakPolarHBondContact ND2-CE2 3.4Å; N249-Y251 PolarHBondContact ND2-OH 3.18Å; N249-Y251 VanDerWaalsContact O-CD2 3.25Å; N249-Y251 WeakPolarHBondContact O-CD2 3.3Å; N249-Y251 WeakPolarHBondContact O-CE2 3.41Å; Y251-F253 AromaticContact CD1-CE2 3.94Å; Y251-F253 HydrophobicContact CD1-CE2 3.94Å; Y251-F253 HydrophobicContact CD1-CZ 4.28Å; Y251-F253 HydrophobicContact CG-CE2 4.15Å; Y251-K281 PolarHBondContact N-O 2.89Å; Y251-F282 HydrophobicContact CD2-CE2 4.43Å; Y251-F282 HydrophobicContact CG-CE2 4.24Å; Y251-F282 CarbonylContact O-C 3.54Å; Y251-F282 WeakPolarHBondContact O-CA 3.49Å; Y251-Y283 WeakPolarHBondContact O-CD2 3.11Å; Y251-Y283 PolarHBondContact O-N 2.8Å
252L98.9Very high98.1Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-119123.3160.7168.259000108.6F222 T223 V224 C225 Y283 H327 V335F222-L252 HydrophobicContact CE1-CB 3.76Å; F222-L252 HydrophobicContact CZ-CB 3.83Å; T223-L252 PolarHBondContact O-N 3.32Å; V224-L252 CarbonylContact C-O 3.56Å; V224-L252 WeakPolarHBondContact CA-O 3.45Å; V224-L252 HydrophobicContact CG1-CD2 4.31Å; V224-L252 HydrophobicContact CG1-CG 4.36Å; V224-L252 HydrophobicContact CG2-CB 4.45Å; V224-L252 HydrophobicContact CG2-CD2 4.4Å; C225-L252 PolarHBondContact N-O 2.82Å; L252-Y283 WeakPolarHBondContact CA-O 3.37Å; L252-H327 WeakPolarHBondContact CD1-ND1 3.5Å; L252-H327 HydrophobicContact CD2-CB 3.82Å; L252-V335 HydrophobicContact CD2-CB 3.83Å; L252-V335 HydrophobicContact CD2-CG1 3.73Å; L252-V335 HydrophobicContact CD2-CG2 3.9Å
253F98.9Very high98.1Very high0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-100.8123.3168-73.4-100.2000109.4C225 I228 L235 F239 Y251 G255 F257 L271 F282 Y283 L284 S285C225-F253 HydrophobicContact CB-CD1 3.53Å; C225-F253 HydrophobicContact CB-CE1 3.58Å; C225-F253 HydrophobicContact CB-CG 4.07Å; C225-F253 HydrophobicContact CB-CZ 4.15Å; I228-F253 HydrophobicContact CD1-CD1 4.37Å; I228-F253 HydrophobicContact CD1-CE1 4.06Å; I228-F253 HydrophobicContact CG1-CD1 3.94Å; I228-F253 HydrophobicContact CG1-CE1 4.04Å; L235-F253 HydrophobicContact CD1-CD1 4.49Å; L235-F253 HydrophobicContact CD1-CE1 3.42Å; L235-F253 VanDerWaalsContact CD1-CE1 3.42Å; L235-F253 HydrophobicContact CD1-CZ 3.54Å; F239-F253 HydrophobicContact CE1-CE2 4.08Å; F239-F253 AromaticContact CE1-CZ 3.75Å; F239-F253 HydrophobicContact CE1-CZ 3.75Å; F239-F253 HydrophobicContact CZ-CE2 4.29Å; F239-F253 AromaticContact CZ-CZ 3.99Å; F239-F253 HydrophobicContact CZ-CZ 3.99Å; Y251-F253 AromaticContact CD1-CE2 3.94Å; Y251-F253 HydrophobicContact CD1-CE2 3.94Å; Y251-F253 HydrophobicContact CD1-CZ 4.28Å; Y251-F253 HydrophobicContact CG-CE2 4.15Å; F253-G255 PolarHBondContact O-N 2.91Å; F253-F257 HydrophobicContact CB-CD1 4.3Å; F253-F257 HydrophobicContact CB-CE1 3.61Å; F253-F257 HydrophobicContact CB-CZ 4.37Å; F253-L271 HydrophobicContact CD1-CD2 4.03Å; F253-L271 HydrophobicContact CD2-CD2 3.75Å; F253-L271 HydrophobicContact CE1-CD2 4.16Å; F253-L271 HydrophobicContact CE2-CD2 3.89Å; F253-L271 HydrophobicContact CG-CD2 3.83Å; F253-L271 HydrophobicContact CZ-CD2 4.09Å; F253-F282 HydrophobicContact CD2-CE1 4.17Å; F253-F282 HydrophobicContact CD2-CE2 4.05Å; F253-F282 AromaticContact CD2-CZ 3.55Å; F253-F282 HydrophobicContact CD2-CZ 3.55Å; F253-F282 HydrophobicContact CE2-CE1 4.45Å; F253-F282 AromaticContact CE2-CE2 3.65Å; F253-F282 HydrophobicContact CE2-CE2 3.65Å; F253-F282 AromaticContact CE2-CZ 3.43Å; F253-F282 HydrophobicContact CE2-CZ 3.43Å; F253-F282 VanDerWaalsContact CE2-CZ 3.43Å; F253-Y283 PolarHBondContact N-O 2.88Å; F253-L284 HydrophobicContact CB-CD2 3.97Å; F253-L284 WeakPolarHBondContact O-CA 3.25Å; F253-S285 PolarHBondContact O-N 2.74Å
254N98.9Very high98.1Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-102.464.8-166-169.741.3000113.2C225 S285 V335 M336 H337 S411C225-N254 WeakPolarHBondContact O-CB 3.39Å; C225-N254 PolarHBondContact O-N 3.05Å; N254-S285 VanDerWaalsContact OD1-CB 3.24Å; N254-S285 WeakPolarHBondContact OD1-CB 3.26Å; N254-S285 PolarHBondContact OD1-OG 3.29Å; N254-S285 VanDerWaalsContact OD1-OG 3.06Å; N254-V335 HydrophobicContact CB-CG1 4.1Å; N254-V335 VanDerWaalsContact CG-CG1 3.48Å; N254-M336 VanDerWaalsContact ND2-C 3.31Å; N254-M336 PolarHBondContact ND2-O 3.33Å; N254-H337 PolarHBondContact O-ND1 3.44Å; N254-S411 WeakPolarHBondContact CB-OG 3.3Å; N254-S411 PolarHBondContact ND2-OG 2.94Å; N254-S411 PolarHBondContact O-OG 2.91Å
255G98.7Very high98.1Very high0 Ų020 Ų200%011%0.105CC..SBendtrans76.2175.3176.100000115.1F253 F257 S285 G287F253-G255 PolarHBondContact O-N 2.91Å; G255-F257 PolarHBondContact O-N 3.17Å; G255-S285 VanDerWaalsContact CA-O 3.27Å; G255-S285 WeakPolarHBondContact CA-O 3.49Å; G255-S285 PolarHBondContact N-O 3.05Å; G255-S285 VanDerWaalsContact N-O 3.15Å; G255-G287 VanDerWaalsContact CA-N 3.33Å
256D98.8Very high98.1Very high1 Ų120 Ų201%0.00511%0.105CC..  trans54.754.6176.6-75.715.3000112.2D227 I228 H229 G287 N288 H289 E290 H337D227-D256 HydrophobicContact CB-CB 3.95Å; D227-D256 WeakPolarHBondContact OD1-CB 3.48Å; I228-D256 PolarHBondContact N-O 3.17Å; H229-D256 IonicContact CE1-OD2 3.71Å; H229-D256 PolarHBondContact CE1-OD2 3.43Å; H229-D256 PolarHBondContact N-O 2.87Å; H229-D256 IonicContact NE2-OD2 2.67Å; D256-G287 WeakPolarHBondContact OD1-CA 3.32Å; D256-N288 PolarHBondContact OD1-N 3Å; D256-N288 VanDerWaalsContact OD1-N 3.12Å; D256-N288 PolarHBondContact OD1-OD1 2.98Å; D256-N288 PolarHBondContact OD2-OD1 3.5Å; D256-N288 VanDerWaalsContact OD2-OD1 3.11Å; D256-H289 HydrophobicContact CB-CB 4.41Å; D256-H289 WeakPolarHBondContact OD1-CB 3.17Å; D256-H289 IonicContact OD1-CD2 3.37Å; D256-H289 IonicContact OD1-CG 3.37Å; D256-H289 PolarHBondContact OD1-N 3.49Å; D256-H289 IonicContact OD2-CD2 3.37Å; D256-H289 PolarHBondContact OD2-CD2 3.08Å; D256-H289 IonicContact OD2-CG 3.9Å; D256-E290 PolarHBondContact N-OE1 3.4Å; D256-E290 PolarHBondContact N-OE2 3Å; D256-H337 IonicContact OD1-CD2 2.72Å; D256-H337 IonicContact OD1-CE1 3.72Å; D256-H337 PolarHBondContact OD1-CE1 2.78Å; D256-H337 IonicContact OD1-NE2 3.42Å; D256-H337 PolarHBondContact OD1-NE2 3.09Å; D256-H337 IonicContact OD2-CE1 2.65Å; D256-H337 PolarHBondContact OD2-CE1 3.11Å; D256-H337 IonicContact OD2-NE2 2.78Å; D256-H337 PolarHBondContact OD2-NE2 2.95Å
257F98.8Very high98.2Very high0 Ų018.3 Ų18.30%09%0.093CC..  trans-77.7-31.7178.3-46.3-41.2000111.5G230 F253 G255 I268 L271 L284 S285 E290 L323G230-F257 PolarHBondContact N-O 3.08Å; F253-F257 HydrophobicContact CB-CD1 4.3Å; F253-F257 HydrophobicContact CB-CE1 3.61Å; F253-F257 HydrophobicContact CB-CZ 4.37Å; G255-F257 PolarHBondContact O-N 3.17Å; F257-I268 HydrophobicContact CB-CD1 4.15Å; F257-I268 HydrophobicContact CD2-CD1 3.61Å; F257-I268 HydrophobicContact CE2-CD1 4.42Å; F257-I268 HydrophobicContact CG-CD1 4.23Å; F257-L271 HydrophobicContact CB-CD1 3.82Å; F257-L271 HydrophobicContact CD1-CD1 3.57Å; F257-L271 HydrophobicContact CD2-CD1 4.17Å; F257-L271 HydrophobicContact CE1-CD1 4.15Å; F257-L271 HydrophobicContact CG-CD1 3.57Å; F257-L284 HydrophobicContact CE1-CD2 4.35Å; F257-L284 HydrophobicContact CE2-CB 4.32Å; F257-L284 HydrophobicContact CE2-CD2 4.39Å; F257-L284 HydrophobicContact CZ-CB 4.01Å; F257-L284 HydrophobicContact CZ-CD2 3.91Å; F257-S285 WeakPolarHBondContact CZ-O 3.35Å; F257-E290 HydrophobicContact CD2-CG 4.06Å; F257-E290 HydrophobicContact CE2-CG 4.42Å; F257-E290 PolarHBondContact N-OE1 3.46Å; F257-L323 HydrophobicContact CE2-CD1 4.09Å
258V98.8Very high98.3Very high0 Ų011.2 Ų11.20%06%0.062CC..SBendtrans-115.8-177.3-169.7-57.20000111.6H229 I268 N295 F300 F320H229-V258 PolarHBondContact ND1-O 3.04Å; V258-I268 HydrophobicContact CG1-CB 4.15Å; V258-N295 WeakPolarHBondContact CG2-ND2 3.25Å; V258-F300 HydrophobicContact CB-CB 4.09Å; V258-F300 HydrophobicContact CB-CD1 4.2Å; V258-F300 HydrophobicContact CB-CD2 3.73Å; V258-F300 HydrophobicContact CB-CE2 4.15Å; V258-F300 HydrophobicContact CB-CG 3.74Å; V258-F300 HydrophobicContact CG1-CD1 4.34Å; V258-F300 HydrophobicContact CG1-CD2 3.81Å; V258-F300 HydrophobicContact CG1-CE1 4.23Å; V258-F300 HydrophobicContact CG1-CE2 3.67Å; V258-F300 HydrophobicContact CG1-CG 4.12Å; V258-F300 HydrophobicContact CG1-CZ 3.89Å; V258-F300 HydrophobicContact CG2-CB 4.12Å; V258-F300 HydrophobicContact CG2-CD1 4Å; V258-F300 HydrophobicContact CG2-CD2 4.41Å; V258-F300 HydrophobicContact CG2-CG 3.92Å; V258-F320 HydrophobicContact CG1-CZ 3.96Å; V258-F320 HydrophobicContact CG2-CE2 4.11Å; V258-F320 HydrophobicContact CG2-CZ 4.27Å
259D97.9Very high98.4Very high0 Ų04.3 Ų4.30%03%0.025CC..SBendtrans66.4161.8-177.9-75.7-34.7000113.4H229 G261 S264 H289 M294 N295 Y298 G299 F300H229-D259 CarbonylContact C-O 3.58Å; H229-D259 WeakPolarHBondContact CA-O 3.19Å; H229-D259 WeakPolarHBondContact CB-O 3.37Å; H229-D259 VanDerWaalsContact O-O 3.05Å; D259-G261 PolarHBondContact O-N 2.78Å; D259-S264 PolarHBondContact N-OG 3.42Å; D259-H289 HydrophobicContact CB-CB 4.33Å; D259-H289 WeakPolarHBondContact CB-ND1 3.18Å; D259-H289 IonicContact OD2-CG 3.2Å; D259-H289 IonicContact OD2-ND1 3.84Å; D259-H289 PolarHBondContact OD2-ND1 2.69Å; D259-M294 VanDerWaalsContact OD2-C 3.27Å; D259-N295 WeakPolarHBondContact OD1-CA 3.38Å; D259-N295 WeakPolarHBondContact OD2-CA 3.34Å; D259-N295 PolarHBondContact OD2-N 2.68Å; D259-N295 PolarHBondContact OD2-ND2 2.83Å; D259-Y298 VanDerWaalsContact CB-CB 3.5Å; D259-Y298 VanDerWaalsContact CG-CB 3.49Å; D259-G299 PolarHBondContact OD1-N 3.38Å; D259-F300 WeakPolarHBondContact OD1-CB 3.37Å; D259-F300 PolarHBondContact OD1-N 3.38Å
260R95.2Very high98.4Very high24 Ų243.5 Ų3.59%0.0912%0.02CC..SBendtrans68.8-64.9-178-42.5-80.2-171134.84.4113.8E57 H229 Y298 Y436 P475 M476E57-R260 IonicContact OE1-CZ 3.88Å; E57-R260 VanDerWaalsContact OE1-CZ 3.26Å; E57-R260 IonicContact OE1-NH1 3.06Å; E57-R260 PolarHBondContact OE1-NH1 2.64Å; E57-R260 IonicContact OE1-NH2 3.79Å; E57-R260 PolarHBondContact OE1-NH2 3.28Å; E57-R260 IonicContact OE2-CZ 3.6Å; E57-R260 IonicContact OE2-NH1 3.56Å; E57-R260 PolarHBondContact OE2-NH1 2.74Å; E57-R260 IonicContact OE2-NH2 2.7Å; E57-R260 PolarHBondContact OE2-NH2 3.14Å; H229-R260 HydrophobicContact CB-CB 4.17Å; H229-R260 HydrophobicContact CB-CG 4.27Å; R260-Y298 PolarHBondContact N-O 2.66Å; R260-Y436 HydrophobicContact CB-CE2 4.19Å; R260-Y436 WeakPolarHBondContact CD-OH 3.48Å; R260-Y436 HydrophobicContact CG-CE2 4.01Å; R260-Y436 WeakPolarHBondContact CG-OH 3.4Å; R260-Y436 PolarHBondContact NE-OH 3.16Å; R260-Y436 PolarHBondContact NH2-OH 3.23Å; R260-P475 CarbonylContact O-C 3.5Å; R260-P475 WeakPolarHBondContact O-CA 3.47Å; R260-M476 HydrophobicContact CB-SD 4.48Å; R260-M476 PolarHBondContact O-N 3.5Å
261G95.9Very high98.4Very high14 Ų142.9 Ų2.914%0.1442%0.016CC..SBendtrans-70.6155.1175.600000111.4H229 D259 F263 S264H229-G261 WeakPolarHBondContact O-CA 3.25Å; H229-G261 PolarHBondContact O-N 2.92Å; D259-G261 PolarHBondContact O-N 2.78Å; G261-F263 VanDerWaalsContact C-N 3.33Å; G261-S264 PolarHBondContact O-OG 2.76Å
262S97.1Very high98.4Very high3 Ų32.9 Ų2.92%0.0212%0.016CC..THydrogen-bonded Turntrans-93.910.1-175.2-67.50000113.7K307 V473 R474 A477S262-K307 PolarHBondContact O-NZ 3.12Å; S262-V473 VanDerWaalsContact CB-CG1 3.46Å; S262-R474 PolarHBondContact OG-O 2.65Å; S262-A477 VanDerWaalsContact OG-CB 3.29Å; S262-A477 WeakPolarHBondContact OG-CB 3.48Å
263F98.4Very high98.4Very high14 Ų142.9 Ų2.96%0.0612%0.016CC..THydrogen-bonded Turntrans-128.334.9-179.6-48.2-84000112G230 F232 Y233 G261 V265 E266 C267 P471 V473G230-F263 CarbonylContact O-C 3.53Å; G230-F263 WeakPolarHBondContact O-CA 3.39Å; G230-F263 WeakPolarHBondContact O-CB 3.45Å; G230-F263 PolarHBondContact O-N 3.45Å; F232-F263 HydrophobicContact CB-CB 3.55Å; F232-F263 HydrophobicContact CB-CG 4.34Å; Y233-F263 HydrophobicContact CD2-CD2 4.3Å; Y233-F263 HydrophobicContact CD2-CE2 4.3Å; Y233-F263 HydrophobicContact CE2-CD1 4.12Å; Y233-F263 HydrophobicContact CE2-CD2 4.1Å; Y233-F263 AromaticContact CE2-CE1 3.98Å; Y233-F263 HydrophobicContact CE2-CE1 3.98Å; Y233-F263 AromaticContact CE2-CE2 3.97Å; Y233-F263 HydrophobicContact CE2-CE2 3.97Å; Y233-F263 HydrophobicContact CE2-CG 4.18Å; Y233-F263 AromaticContact CE2-CZ 3.91Å; Y233-F263 HydrophobicContact CE2-CZ 3.91Å; G261-F263 VanDerWaalsContact C-N 3.33Å; F263-V265 VanDerWaalsContact C-N 3.33Å; F263-V265 PolarHBondContact O-N 3.39Å; F263-E266 WeakPolarHBondContact CA-OE2 3.45Å; F263-E266 HydrophobicContact CB-CB 4.35Å; F263-E266 PolarHBondContact O-N 3.42Å; F263-C267 PolarHBondContact O-N 3.08Å; F263-C267 PolarHBondContact O-SG 2.89Å; F263-P471 HydrophobicContact CE1-CG 4.43Å; F263-P471 HydrophobicContact CZ-CB 4.14Å; F263-P471 HydrophobicContact CZ-CG 4.06Å; F263-V473 HydrophobicContact CE2-CB 4.44Å; F263-V473 HydrophobicContact CZ-CB 3.95Å; F263-V473 HydrophobicContact CZ-CG2 4Å
264S98.7Very high98.4Very high0 Ų03.1 Ų3.10%02%0.018CC..Hα-helixtrans-64.9-36.2-179.6-61.10000112.5D259 G261 E266 C267 I268 F300 E303D259-S264 PolarHBondContact N-OG 3.42Å; G261-S264 PolarHBondContact O-OG 2.76Å; S264-E266 VanDerWaalsContact C-N 3.32Å; S264-E266 PolarHBondContact O-N 2.98Å; S264-C267 PolarHBondContact O-N 3.14Å; S264-I268 WeakPolarHBondContact O-CG2 3.24Å; S264-I268 PolarHBondContact O-N 3Å; S264-F300 VanDerWaalsContact CB-CD2 3.41Å; S264-E303 WeakPolarHBondContact CB-OE2 3.29Å; S264-E303 PolarHBondContact N-OE1 3.29Å; S264-E303 PolarHBondContact N-OE2 3.02Å; S264-E303 PolarHBondContact OG-OE2 3.11Å
265V98.8Very high98.4Very high0 Ų03.5 Ų3.50%02%0.019CC..Hα-helixtrans-60.5-44.2175.4162.90000110.7F263 I268 F269 F300 E303 V304 K307 Y308F263-V265 VanDerWaalsContact C-N 3.33Å; F263-V265 PolarHBondContact O-N 3.39Å; V265-I268 WeakPolarHBondContact O-CG2 3.38Å; V265-F269 HydrophobicContact CG1-CD2 3.81Å; V265-F269 HydrophobicContact CG1-CE2 4.02Å; V265-F269 WeakPolarHBondContact O-CB 3.45Å; V265-F269 VanDerWaalsContact O-CD2 3.25Å; V265-F269 WeakPolarHBondContact O-CD2 3.2Å; V265-F269 PolarHBondContact O-N 3Å; V265-F269 VanDerWaalsContact O-N 3.1Å; V265-F300 HydrophobicContact CG2-CE2 4.19Å; V265-E303 WeakPolarHBondContact CB-OE1 3.32Å; V265-E303 HydrophobicContact CG2-CG 4.03Å; V265-E303 WeakPolarHBondContact CG2-OE1 3.37Å; V265-E303 PolarHBondContact N-OE1 2.96Å; V265-V304 HydrophobicContact CG2-CG2 3.86Å; V265-K307 HydrophobicContact CB-CD 3.89Å; V265-K307 HydrophobicContact CG1-CD 4.06Å; V265-K307 HydrophobicContact CG2-CD 3.98Å; V265-Y308 HydrophobicContact CG1-CE2 3.6Å
266E98.8Very high98.4Very high5 Ų55.4 Ų5.42%0.0233%0.029CC..Hα-helixtrans-66.2-44.5179.2-65.780.4173.500110.7Y183 F232 F263 S264 T270 K307Y183-E266 HydrophobicContact CD1-CB 4.24Å; Y183-E266 HydrophobicContact CD1-CG 3.52Å; Y183-E266 HydrophobicContact CD2-CB 3.77Å; Y183-E266 HydrophobicContact CD2-CG 3.99Å; Y183-E266 HydrophobicContact CE1-CG 4.01Å; Y183-E266 HydrophobicContact CE2-CB 4.19Å; Y183-E266 HydrophobicContact CE2-CG 4.43Å; Y183-E266 HydrophobicContact CG-CB 3.8Å; Y183-E266 HydrophobicContact CG-CG 3.5Å; F232-E266 HydrophobicContact CB-CB 4.01Å; F232-E266 HydrophobicContact CD1-CB 4.33Å; F232-E266 HydrophobicContact CD2-CB 3.57Å; F232-E266 HydrophobicContact CE2-CB 4.12Å; F232-E266 HydrophobicContact CG-CB 3.69Å; F263-E266 WeakPolarHBondContact CA-OE2 3.45Å; F263-E266 HydrophobicContact CB-CB 4.35Å; F263-E266 PolarHBondContact O-N 3.42Å; S264-E266 VanDerWaalsContact C-N 3.32Å; S264-E266 PolarHBondContact O-N 2.98Å; E266-T270 VanDerWaalsContact O-CB 3.3Å; E266-T270 WeakPolarHBondContact O-CB 3.17Å; E266-T270 PolarHBondContact O-N 3.19Å; E266-T270 VanDerWaalsContact O-N 3.1Å; E266-T270 PolarHBondContact O-OG1 2.96Å; E266-K307 IonicContact OE1-NZ 2.7Å; E266-K307 PolarHBondContact OE1-NZ 3.22Å; E266-K307 IonicContact OE2-NZ 3.89Å; E266-K307 PolarHBondContact OE2-NZ 3.1Å
267C98.9Very high98.3Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-56-58.3172.9-72.70000111.3F232 L235 F263 S264 F269 T270 L271F232-C267 WeakPolarHBondContact CA-SG 2.84Å; F232-C267 PolarHBondContact N-SG 3.02Å; F232-C267 VanDerWaalsContact N-SG 3.42Å; L235-C267 HydrophobicContact CD2-CB 4.34Å; F263-C267 PolarHBondContact O-N 3.08Å; F263-C267 PolarHBondContact O-SG 2.89Å; S264-C267 PolarHBondContact O-N 3.14Å; C267-F269 PolarHBondContact O-N 3.01Å; C267-T270 WeakPolarHBondContact O-CB 3.48Å; C267-T270 PolarHBondContact O-N 3.01Å; C267-T270 VanDerWaalsContact O-N 3.11Å; C267-L271 WeakPolarHBondContact O-CG 3.39Å; C267-L271 PolarHBondContact O-N 3.44Å
268I98.9Very high98.3Very high0 Ų08.3 Ų8.30%04%0.042CC..Hα-helixtrans-66.6-37.7-170.1-164.860.2000112.6F257 V258 S264 V265 T270 L271 F272 F300 F316 F320F257-I268 HydrophobicContact CB-CD1 4.15Å; F257-I268 HydrophobicContact CD2-CD1 3.61Å; F257-I268 HydrophobicContact CE2-CD1 4.42Å; F257-I268 HydrophobicContact CG-CD1 4.23Å; V258-I268 HydrophobicContact CG1-CB 4.15Å; S264-I268 WeakPolarHBondContact O-CG2 3.24Å; S264-I268 PolarHBondContact O-N 3Å; V265-I268 WeakPolarHBondContact O-CG2 3.38Å; I268-T270 VanDerWaalsContact C-N 3.34Å; I268-L271 PolarHBondContact O-N 3.32Å; I268-F272 HydrophobicContact CD1-CD1 4.05Å; I268-F272 HydrophobicContact CD1-CE1 3.49Å; I268-F272 VanDerWaalsContact CD1-CE1 3.49Å; I268-F272 HydrophobicContact CD1-CE2 4.25Å; I268-F272 HydrophobicContact CD1-CZ 3.61Å; I268-F272 HydrophobicContact CG1-CD1 4.32Å; I268-F272 HydrophobicContact CG1-CD2 4.13Å; I268-F272 HydrophobicContact CG1-CE1 3.88Å; I268-F272 HydrophobicContact CG1-CE2 3.68Å; I268-F272 HydrophobicContact CG1-CG 4.45Å; I268-F272 HydrophobicContact CG1-CZ 3.54Å; I268-F272 WeakPolarHBondContact O-CB 3.49Å; I268-F272 VanDerWaalsContact O-CG 3.28Å; I268-F272 WeakPolarHBondContact O-CG 3.43Å; I268-F272 PolarHBondContact O-N 3.43Å; I268-F300 HydrophobicContact CG2-CE2 4.33Å; I268-F300 HydrophobicContact CG2-CZ 4.22Å; I268-F316 HydrophobicContact CB-CE1 4.44Å; I268-F316 HydrophobicContact CG1-CE1 3.99Å; I268-F316 HydrophobicContact CG2-CE1 3.54Å; I268-F316 HydrophobicContact CG2-CZ 3.72Å; I268-F320 HydrophobicContact CD1-CE1 3.86Å; I268-F320 HydrophobicContact CD1-CZ 4.35Å; I268-F320 HydrophobicContact CG1-CE1 3.93Å; I268-F320 HydrophobicContact CG1-CZ 4.2Å
269F98.9Very high98.3Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-68.7-33.5174.7-83.4-61.4000112.8Y183 A194 I197 M198 V265 C267 G273 Y308 F316Y183-F269 HydrophobicContact CE2-CB 4.08Å; Y183-F269 VanDerWaalsContact OH-CB 3.25Å; Y183-F269 WeakPolarHBondContact OH-CB 3.17Å; A194-F269 HydrophobicContact CB-CE1 3.88Å; A194-F269 HydrophobicContact CB-CE2 4.13Å; A194-F269 HydrophobicContact CB-CZ 3.52Å; A194-F269 WeakPolarHBondContact O-CE1 3.09Å; I197-F269 HydrophobicContact CB-CD1 4.31Å; I197-F269 HydrophobicContact CB-CE1 4.33Å; I197-F269 HydrophobicContact CD1-CD1 4.42Å; I197-F269 HydrophobicContact CG2-CD1 3.95Å; I197-F269 HydrophobicContact CG2-CE1 4.26Å; M198-F269 HydrophobicContact CG-CE1 3.8Å; M198-F269 HydrophobicContact CG-CZ 3.99Å; M198-F269 HydrophobicContact SD-CE1 4.33Å; M198-F269 HydrophobicContact SD-CZ 3.91Å; V265-F269 HydrophobicContact CG1-CD2 3.81Å; V265-F269 HydrophobicContact CG1-CE2 4.02Å; V265-F269 WeakPolarHBondContact O-CB 3.45Å; V265-F269 VanDerWaalsContact O-CD2 3.25Å; V265-F269 WeakPolarHBondContact O-CD2 3.2Å; V265-F269 PolarHBondContact O-N 3Å; V265-F269 VanDerWaalsContact O-N 3.1Å; C267-F269 PolarHBondContact O-N 3.01Å; F269-G273 PolarHBondContact O-N 2.99Å; F269-Y308 AromaticContact CE2-CE2 3.77Å; F269-Y308 HydrophobicContact CE2-CE2 3.77Å; F269-F316 HydrophobicContact CD2-CZ 4.42Å; F269-F316 HydrophobicContact CE1-CZ 4.38Å; F269-F316 HydrophobicContact CE2-CE2 4.28Å; F269-F316 AromaticContact CE2-CZ 3.68Å; F269-F316 HydrophobicContact CE2-CZ 3.68Å; F269-F316 HydrophobicContact CZ-CE2 4.29Å; F269-F316 AromaticContact CZ-CZ 3.64Å; F269-F316 HydrophobicContact CZ-CZ 3.64Å
270T98.9Very high98.2Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-64.4-46.5173.3-600000110.7M176 M180 L235 M236 F239 E266 C267 I268 G273 F274M176-T270 HydrophobicContact CE-CG2 4.42Å; M176-T270 WeakPolarHBondContact CE-O 3.46Å; M180-T270 HydrophobicContact CG-CG2 4.12Å; M180-T270 HydrophobicContact SD-CG2 4.21Å; L235-T270 HydrophobicContact CD2-CG2 4.31Å; M236-T270 HydrophobicContact CE-CG2 3.97Å; F239-T270 HydrophobicContact CE2-CG2 4.07Å; E266-T270 VanDerWaalsContact O-CB 3.3Å; E266-T270 WeakPolarHBondContact O-CB 3.17Å; E266-T270 PolarHBondContact O-N 3.19Å; E266-T270 VanDerWaalsContact O-N 3.1Å; E266-T270 PolarHBondContact O-OG1 2.96Å; C267-T270 WeakPolarHBondContact O-CB 3.48Å; C267-T270 PolarHBondContact O-N 3.01Å; C267-T270 VanDerWaalsContact O-N 3.11Å; I268-T270 VanDerWaalsContact C-N 3.34Å; T270-G273 PolarHBondContact O-N 3.35Å; T270-F274 HydrophobicContact CG2-CD2 3.94Å; T270-F274 HydrophobicContact CG2-CE2 3.82Å; T270-F274 WeakPolarHBondContact O-CD2 3.43Å; T270-F274 PolarHBondContact O-N 3.08Å
271L98.9Very high98.4Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-63.4-46.3178.1-66-179.1000112.1L235 F253 F257 C267 I268 G273 F274 K275 F282 L284L235-L271 HydrophobicContact CD1-CD2 4.39Å; L235-L271 HydrophobicContact CD2-CD2 4.35Å; F253-L271 HydrophobicContact CD1-CD2 4.03Å; F253-L271 HydrophobicContact CD2-CD2 3.75Å; F253-L271 HydrophobicContact CE1-CD2 4.16Å; F253-L271 HydrophobicContact CE2-CD2 3.89Å; F253-L271 HydrophobicContact CG-CD2 3.83Å; F253-L271 HydrophobicContact CZ-CD2 4.09Å; F257-L271 HydrophobicContact CB-CD1 3.82Å; F257-L271 HydrophobicContact CD1-CD1 3.57Å; F257-L271 HydrophobicContact CD2-CD1 4.17Å; F257-L271 HydrophobicContact CE1-CD1 4.15Å; F257-L271 HydrophobicContact CG-CD1 3.57Å; C267-L271 WeakPolarHBondContact O-CG 3.39Å; C267-L271 PolarHBondContact O-N 3.44Å; I268-L271 PolarHBondContact O-N 3.32Å; L271-G273 VanDerWaalsContact C-N 3.35Å; L271-G273 PolarHBondContact O-N 3.26Å; L271-F274 PolarHBondContact O-N 2.98Å; L271-K275 WeakPolarHBondContact O-CB 3.39Å; L271-K275 PolarHBondContact O-N 2.91Å; L271-F282 HydrophobicContact CB-CE1 4.27Å; L271-F282 HydrophobicContact CD2-CE1 3.92Å; L271-F282 HydrophobicContact CD2-CZ 3.64Å; L271-F282 VanDerWaalsContact O-CE1 3.29Å; L271-F282 WeakPolarHBondContact O-CE1 3.2Å; L271-L284 HydrophobicContact CB-CD1 4.36Å; L271-L284 HydrophobicContact CB-CD2 3.99Å; L271-L284 HydrophobicContact CD1-CD2 4.25Å; L271-L284 HydrophobicContact CD2-CD2 4.42Å; L271-L284 HydrophobicContact CG-CD2 4.44Å
272F98.9Very high98.5Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-63.4-40.5175.9-70.4-9.7000112.3I197 I201 I268 K275 L276 L284 F316 I319 F320I197-F272 HydrophobicContact CG2-CB 3.74Å; I197-F272 HydrophobicContact CG2-CD2 4.49Å; I201-F272 HydrophobicContact CB-CB 4.5Å; I201-F272 HydrophobicContact CB-CD2 4.47Å; I201-F272 HydrophobicContact CB-CG 4.33Å; I201-F272 HydrophobicContact CD1-CD1 4.47Å; I201-F272 HydrophobicContact CG1-CB 4.35Å; I201-F272 HydrophobicContact CG1-CD1 3.82Å; I201-F272 HydrophobicContact CG1-CD2 4.42Å; I201-F272 HydrophobicContact CG1-CE1 4.15Å; I201-F272 HydrophobicContact CG1-CG 3.96Å; I201-F272 HydrophobicContact CG2-CD2 3.72Å; I201-F272 HydrophobicContact CG2-CE2 3.91Å; I201-F272 HydrophobicContact CG2-CG 4.06Å; I201-F272 HydrophobicContact CG2-CZ 4.42Å; I268-F272 HydrophobicContact CD1-CD1 4.05Å; I268-F272 HydrophobicContact CD1-CE1 3.49Å; I268-F272 VanDerWaalsContact CD1-CE1 3.49Å; I268-F272 HydrophobicContact CD1-CE2 4.25Å; I268-F272 HydrophobicContact CD1-CZ 3.61Å; I268-F272 HydrophobicContact CG1-CD1 4.32Å; I268-F272 HydrophobicContact CG1-CD2 4.13Å; I268-F272 HydrophobicContact CG1-CE1 3.88Å; I268-F272 HydrophobicContact CG1-CE2 3.68Å; I268-F272 HydrophobicContact CG1-CG 4.45Å; I268-F272 HydrophobicContact CG1-CZ 3.54Å; I268-F272 WeakPolarHBondContact O-CB 3.49Å; I268-F272 VanDerWaalsContact O-CG 3.28Å; I268-F272 WeakPolarHBondContact O-CG 3.43Å; I268-F272 PolarHBondContact O-N 3.43Å; F272-K275 PolarHBondContact O-N 2.92Å; F272-L276 WeakPolarHBondContact O-CG 3.32Å; F272-L276 PolarHBondContact O-N 3.28Å; F272-L284 HydrophobicContact CD1-CD1 3.8Å; F272-L284 HydrophobicContact CE1-CD1 4.08Å; F272-F316 HydrophobicContact CE2-CD1 4.22Å; F272-F316 AromaticContact CE2-CE1 3.83Å; F272-F316 HydrophobicContact CE2-CE1 3.83Å; F272-I319 HydrophobicContact CE1-CG2 4.34Å; F272-I319 HydrophobicContact CE2-CD1 4.37Å; F272-I319 HydrophobicContact CE2-CG2 3.85Å; F272-I319 HydrophobicContact CZ-CG2 3.47Å; F272-I319 VanDerWaalsContact CZ-CG2 3.47Å; F272-F320 HydrophobicContact CZ-CE1 4.11Å
273G98.8Very high98.6Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-59.3-48.5175.900000112.3M176 F269 T270 L271 K275 L276 L277M176-G273 WeakPolarHBondContact SD-CA 3.46Å; F269-G273 PolarHBondContact O-N 2.99Å; T270-G273 PolarHBondContact O-N 3.35Å; L271-G273 VanDerWaalsContact C-N 3.35Å; L271-G273 PolarHBondContact O-N 3.26Å; G273-K275 PolarHBondContact O-N 3.4Å; G273-L276 PolarHBondContact O-N 3.1Å; G273-L277 WeakPolarHBondContact O-CB 3.38Å; G273-L277 PolarHBondContact O-N 2.68Å
274F98.9Very high98.6Very high5 Ų517.3 Ų17.32%0.0229%0.087CC..Hα-helixtrans-67-34175.6-78.2-60.1000113.3M176 M180 F239 L244 P245 T270 L271 L276 L277 Y278 F282M176-F274 HydrophobicContact CB-CE1 4.2Å; M176-F274 HydrophobicContact CB-CZ 4.27Å; M176-F274 HydrophobicContact CE-CD1 4.43Å; M176-F274 HydrophobicContact CE-CD2 3.82Å; M176-F274 HydrophobicContact CE-CE2 3.9Å; M176-F274 HydrophobicContact CE-CG 4.09Å; M176-F274 HydrophobicContact CE-CZ 4.25Å; M176-F274 HydrophobicContact CG-CE1 4.37Å; M180-F274 HydrophobicContact CE-CE2 4.37Å; M180-F274 HydrophobicContact CE-CZ 3.93Å; M180-F274 HydrophobicContact SD-CE2 3.85Å; M180-F274 HydrophobicContact SD-CZ 4.01Å; F239-F274 HydrophobicContact CD2-CE2 4.33Å; F239-F274 HydrophobicContact CE2-CD2 4.15Å; F239-F274 AromaticContact CE2-CE2 3.7Å; F239-F274 HydrophobicContact CE2-CE2 3.7Å; F239-F274 HydrophobicContact CZ-CD2 4.22Å; F239-F274 HydrophobicContact CZ-CE2 4.17Å; L244-F274 HydrophobicContact CD2-CZ 4.12Å; P245-F274 HydrophobicContact CB-CB 4.36Å; P245-F274 HydrophobicContact CB-CD1 3.66Å; P245-F274 HydrophobicContact CB-CE1 4.02Å; P245-F274 HydrophobicContact CB-CG 3.94Å; P245-F274 HydrophobicContact CG-CB 4.4Å; P245-F274 HydrophobicContact CG-CD1 3.84Å; P245-F274 HydrophobicContact CG-CD2 3.86Å; P245-F274 HydrophobicContact CG-CE1 4Å; P245-F274 HydrophobicContact CG-CE2 4.01Å; P245-F274 HydrophobicContact CG-CG 3.77Å; P245-F274 HydrophobicContact CG-CZ 4.09Å; T270-F274 HydrophobicContact CG2-CD2 3.94Å; T270-F274 HydrophobicContact CG2-CE2 3.82Å; T270-F274 WeakPolarHBondContact O-CD2 3.43Å; T270-F274 PolarHBondContact O-N 3.08Å; L271-F274 PolarHBondContact O-N 2.98Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L277 HydrophobicContact CD1-CD2 4.31Å; F274-L277 HydrophobicContact CE1-CD2 4.48Å; F274-L277 PolarHBondContact O-N 3.46Å; F274-Y278 HydrophobicContact CD1-CD2 4.16Å; F274-Y278 HydrophobicContact CD1-CE2 4.15Å; F274-Y278 HydrophobicContact CE1-CE2 4.49Å; F274-Y278 PolarHBondContact O-N 3.46Å; F274-F282 HydrophobicContact CB-CD1 3.84Å; F274-F282 HydrophobicContact CB-CD2 3.82Å; F274-F282 HydrophobicContact CB-CE1 3.83Å; F274-F282 HydrophobicContact CB-CE2 3.82Å; F274-F282 HydrophobicContact CB-CG 3.82Å; F274-F282 HydrophobicContact CB-CZ 3.82Å; F274-F282 HydrophobicContact CG-CE2 4.38Å
275K98.8Very high98.6Very high7 Ų717.3 Ų17.33%0.039%0.087CC..Hα-helixtrans-60.6-43.5171.8179.358.5-1751770112I201 Y204 L271 F272 G273 Y278 P279 F282 L284I201-K275 HydrophobicContact CD1-CB 4.04Å; I201-K275 HydrophobicContact CD1-CG 3.46Å; I201-K275 VanDerWaalsContact CD1-CG 3.46Å; Y204-K275 HydrophobicContact CE1-CD 4.42Å; Y204-K275 PolarHBondContact OH-NZ 3.48Å; L271-K275 WeakPolarHBondContact O-CB 3.39Å; L271-K275 PolarHBondContact O-N 2.91Å; F272-K275 PolarHBondContact O-N 2.92Å; G273-K275 PolarHBondContact O-N 3.4Å; K275-Y278 CarbonylContact O-C 3.21Å; K275-P279 PolarHBondContact NZ-O 2.91Å; K275-P279 WeakPolarHBondContact O-CA 3.37Å; K275-P279 VanDerWaalsContact O-N 3.15Å; K275-F282 HydrophobicContact CB-CD1 4.06Å; K275-F282 WeakPolarHBondContact CD-O 3.3Å; K275-F282 PolarHBondContact NZ-O 3.45Å; K275-L284 HydrophobicContact CB-CD1 4.07Å; K275-L284 HydrophobicContact CG-CD1 4.38Å
276L98.6Very high98.6Very high40 Ų4017.3 Ų17.321%0.2099%0.087CC..Hα-helixtrans-72.7-33.4178.4-69.1174.1000112.8V171 I197 E200 I201 F272 G273 F274V171-L276 HydrophobicContact CB-CB 4.37Å; V171-L276 HydrophobicContact CG2-CB 3.88Å; V171-L276 HydrophobicContact CG2-CD1 4.1Å; I197-L276 HydrophobicContact CB-CD1 4.45Å; I197-L276 HydrophobicContact CG2-CD1 3.99Å; E200-L276 HydrophobicContact CB-CD1 3.93Å; E200-L276 HydrophobicContact CB-CD2 3.89Å; I201-L276 HydrophobicContact CB-CD1 4.48Å; I201-L276 HydrophobicContact CB-CD2 4.39Å; I201-L276 HydrophobicContact CD1-CD2 4.32Å; I201-L276 HydrophobicContact CD1-CG 4.46Å; F272-L276 WeakPolarHBondContact O-CG 3.32Å; F272-L276 PolarHBondContact O-N 3.28Å; G273-L276 PolarHBondContact O-N 3.1Å; F274-L276 VanDerWaalsContact C-N 3.35Å
277L98.5Very high98.6Very high35 Ų3517 Ų1718%0.1839%0.086CC..Hα-helixtrans-71.9-38.6176.9-177.258.3000112.2V171 E173 M176 G273 F274V171-L277 HydrophobicContact CB-CB 4.46Å; V171-L277 HydrophobicContact CG1-CB 3.96Å; V171-L277 WeakPolarHBondContact O-CD1 3.4Å; E173-L277 HydrophobicContact CB-CD2 4.33Å; M176-L277 HydrophobicContact CG-CD2 3.94Å; G273-L277 WeakPolarHBondContact O-CB 3.38Å; G273-L277 PolarHBondContact O-N 2.68Å; F274-L277 HydrophobicContact CD1-CD2 4.31Å; F274-L277 HydrophobicContact CE1-CD2 4.48Å; F274-L277 PolarHBondContact O-N 3.46Å
278Y98.5Very high98.6Very high27 Ų2717.2 Ų17.211%0.1069%0.087CC..SBendtrans-130.265.7-176-58.1-59.7000111.7P245 K247 F274 K275 D280 K281 F282P245-Y278 HydrophobicContact CB-CD2 4.34Å; P245-Y278 WeakPolarHBondContact O-CE2 3.17Å; K247-Y278 HydrophobicContact CG-CD1 4.11Å; K247-Y278 HydrophobicContact CG-CE1 4.15Å; F274-Y278 HydrophobicContact CD1-CD2 4.16Å; F274-Y278 HydrophobicContact CD1-CE2 4.15Å; F274-Y278 HydrophobicContact CE1-CE2 4.49Å; F274-Y278 PolarHBondContact O-N 3.46Å; K275-Y278 CarbonylContact O-C 3.21Å; Y278-D280 VanDerWaalsContact C-N 3.25Å; Y278-D280 PolarHBondContact O-N 3.05Å; Y278-D280 VanDerWaalsContact O-N 3.12Å; Y278-K281 PolarHBondContact O-N 3.38Å; Y278-F282 PolarHBondContact O-N 3.47Å
279P97.7Very high98.6Very high41 Ų4117.4 Ų17.427%0.2669%0.088SC..THydrogen-bonded Turntrans-56.6-35-170.720.7-33.2000113.9Y204 K275Y204-P279 HydrophobicContact CE2-CB 3.59Å; Y204-P279 PolarHBondContact OH-O 2.91Å; K275-P279 PolarHBondContact NZ-O 2.91Å; K275-P279 WeakPolarHBondContact O-CA 3.37Å; K275-P279 VanDerWaalsContact O-N 3.15Å
280D97Very high98.5Very high111 Ų11117.4 Ų17.459%0.5949%0.088SC*.THydrogen-bonded Turntrans-101.816.2-178.3-51.1-48.6000113.3Y278 Y283Y278-D280 VanDerWaalsContact C-N 3.25Å; Y278-D280 PolarHBondContact O-N 3.05Å; Y278-D280 VanDerWaalsContact O-N 3.12Å; D280-Y283 PolarHBondContact O-OH 3.25Å
281K98.4Very high98.4Very high66 Ų6617.7 Ų17.729%0.2879%0.09SC..THydrogen-bonded Turntrans-140.1-10.7-178.5-57.5-70.5171-168.80113.8P250 Y251 Y278P250-K281 CarbonylContact C-O 3.59Å; P250-K281 WeakPolarHBondContact CA-O 3.32Å; P250-K281 HydrophobicContact CB-CB 4.09Å; P250-K281 HydrophobicContact CB-CD 4.3Å; P250-K281 WeakPolarHBondContact CB-O 3.48Å; Y251-K281 PolarHBondContact N-O 2.89Å; Y278-K281 PolarHBondContact O-N 3.38Å
282F98.8Very high98.2Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-122.8127.2173.6-160.2-94.2000108.8P245 Y251 F253 L271 F274 K275 Y278 L284P245-F282 HydrophobicContact CB-CD2 3.7Å; P245-F282 HydrophobicContact CB-CE2 3.87Å; P245-F282 HydrophobicContact CG-CD2 3.9Å; P245-F282 HydrophobicContact CG-CE2 3.5Å; P245-F282 VanDerWaalsContact CG-CE2 3.5Å; Y251-F282 HydrophobicContact CD2-CE2 4.43Å; Y251-F282 HydrophobicContact CG-CE2 4.24Å; Y251-F282 CarbonylContact O-C 3.54Å; Y251-F282 WeakPolarHBondContact O-CA 3.49Å; F253-F282 HydrophobicContact CD2-CE1 4.17Å; F253-F282 HydrophobicContact CD2-CE2 4.05Å; F253-F282 AromaticContact CD2-CZ 3.55Å; F253-F282 HydrophobicContact CD2-CZ 3.55Å; F253-F282 HydrophobicContact CE2-CE1 4.45Å; F253-F282 AromaticContact CE2-CE2 3.65Å; F253-F282 HydrophobicContact CE2-CE2 3.65Å; F253-F282 AromaticContact CE2-CZ 3.43Å; F253-F282 HydrophobicContact CE2-CZ 3.43Å; F253-F282 VanDerWaalsContact CE2-CZ 3.43Å; L271-F282 HydrophobicContact CB-CE1 4.27Å; L271-F282 HydrophobicContact CD2-CE1 3.92Å; L271-F282 HydrophobicContact CD2-CZ 3.64Å; L271-F282 VanDerWaalsContact O-CE1 3.29Å; L271-F282 WeakPolarHBondContact O-CE1 3.2Å; F274-F282 HydrophobicContact CB-CD1 3.84Å; F274-F282 HydrophobicContact CB-CD2 3.82Å; F274-F282 HydrophobicContact CB-CE1 3.83Å; F274-F282 HydrophobicContact CB-CE2 3.82Å; F274-F282 HydrophobicContact CB-CG 3.82Å; F274-F282 HydrophobicContact CB-CZ 3.82Å; F274-F282 HydrophobicContact CG-CE2 4.38Å; K275-F282 HydrophobicContact CB-CD1 4.06Å; K275-F282 WeakPolarHBondContact CD-O 3.3Å; K275-F282 PolarHBondContact NZ-O 3.45Å; Y278-F282 PolarHBondContact O-N 3.47Å; F282-L284 HydrophobicContact CD1-CD2 4.35Å; F282-L284 HydrophobicContact CE1-CD2 3.85Å; F282-L284 HydrophobicContact CE1-CG 4.45Å
283Y98.9Very high97.9Very high22 Ų2221.8 Ų21.89%0.08611%0.109CC..EExtended strand (participates in β ladder)trans-129.9147.3-169.2-58-90.9000110.6V212 I214 F222 Y251 L252 F253 D280 H327V212-Y283 HydrophobicContact CG1-CD1 4.41Å; V212-Y283 HydrophobicContact CG1-CE1 4.38Å; I214-Y283 HydrophobicContact CD1-CD1 3.66Å; I214-Y283 HydrophobicContact CD1-CD2 3.75Å; I214-Y283 HydrophobicContact CD1-CE1 3.84Å; I214-Y283 HydrophobicContact CD1-CE2 3.92Å; I214-Y283 HydrophobicContact CD1-CG 3.6Å; I214-Y283 HydrophobicContact CG1-CD1 3.98Å; I214-Y283 HydrophobicContact CG1-CE1 3.7Å; I214-Y283 HydrophobicContact CG1-CE2 4.32Å; I214-Y283 HydrophobicContact CG1-CG 4.39Å; I214-Y283 HydrophobicContact CG2-CE2 4.14Å; F222-Y283 AromaticContact CE2-CD2 3.93Å; F222-Y283 HydrophobicContact CE2-CD2 3.93Å; F222-Y283 AromaticContact CE2-CE2 3.77Å; F222-Y283 HydrophobicContact CE2-CE2 3.77Å; F222-Y283 AromaticContact CZ-CD2 3.86Å; F222-Y283 HydrophobicContact CZ-CD2 3.86Å; F222-Y283 HydrophobicContact CZ-CE2 4.13Å; Y251-Y283 WeakPolarHBondContact O-CD2 3.11Å; Y251-Y283 PolarHBondContact O-N 2.8Å; L252-Y283 WeakPolarHBondContact CA-O 3.37Å; F253-Y283 PolarHBondContact N-O 2.88Å; D280-Y283 PolarHBondContact O-OH 3.25Å; Y283-H327 AromaticContact CD1-CD2 3.89Å
284L98.9Very high97.7Very high4 Ų422 Ų222%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-137.5115.8-174.3-61.2176.7000108.8F253 F257 L271 F272 K275 F282 L323 H327F253-L284 HydrophobicContact CB-CD2 3.97Å; F253-L284 WeakPolarHBondContact O-CA 3.25Å; F257-L284 HydrophobicContact CE1-CD2 4.35Å; F257-L284 HydrophobicContact CE2-CB 4.32Å; F257-L284 HydrophobicContact CE2-CD2 4.39Å; F257-L284 HydrophobicContact CZ-CB 4.01Å; F257-L284 HydrophobicContact CZ-CD2 3.91Å; L271-L284 HydrophobicContact CB-CD1 4.36Å; L271-L284 HydrophobicContact CB-CD2 3.99Å; L271-L284 HydrophobicContact CD1-CD2 4.25Å; L271-L284 HydrophobicContact CD2-CD2 4.42Å; L271-L284 HydrophobicContact CG-CD2 4.44Å; F272-L284 HydrophobicContact CD1-CD1 3.8Å; F272-L284 HydrophobicContact CE1-CD1 4.08Å; K275-L284 HydrophobicContact CB-CD1 4.07Å; K275-L284 HydrophobicContact CG-CD1 4.38Å; F282-L284 HydrophobicContact CD1-CD2 4.35Å; F282-L284 HydrophobicContact CE1-CD2 3.85Å; F282-L284 HydrophobicContact CE1-CG 4.45Å; L284-L323 HydrophobicContact CB-CD2 4.01Å; L284-H327 PolarHBondContact O-CE1 3.5Å
285S98.6Very high97.6Very high0 Ų022 Ų220%011%0.11CC..EExtended strand (participates in β ladder)trans-90.5151.3168.2-54.70000110.3F253 N254 G255 F257 P324 H327F253-S285 PolarHBondContact O-N 2.74Å; N254-S285 VanDerWaalsContact OD1-CB 3.24Å; N254-S285 WeakPolarHBondContact OD1-CB 3.26Å; N254-S285 PolarHBondContact OD1-OG 3.29Å; N254-S285 VanDerWaalsContact OD1-OG 3.06Å; G255-S285 VanDerWaalsContact CA-O 3.27Å; G255-S285 WeakPolarHBondContact CA-O 3.49Å; G255-S285 PolarHBondContact N-O 3.05Å; G255-S285 VanDerWaalsContact N-O 3.15Å; F257-S285 WeakPolarHBondContact CZ-O 3.35Å; S285-P324 CarbonylContact C-O 3.49Å; S285-P324 WeakPolarHBondContact CA-O 3.42Å; S285-H327 PolarHBondContact OG-CE1 2.97Å; S285-H327 PolarHBondContact OG-ND1 2.72Å
286R98.8Very high97.3Very high0 Ų022.9 Ų22.90%011%0.113CC..  trans-70.9135.3168.8-163.8175-177.7170.44.2110.3E290 F320 N321 L323 P324 L325 H337 R356 R358 L370R286-E290 HydrophobicContact CG-CB 3.9Å; R286-E290 PolarHBondContact NE-O 3.07Å; R286-E290 PolarHBondContact NH2-O 3.42Å; R286-F320 WeakPolarHBondContact CD-O 3.19Å; R286-F320 PolarHBondContact NE-O 2.93Å; R286-N321 PolarHBondContact NH2-OD1 2.71Å; R286-L323 HydrophobicContact CB-CB 3.65Å; R286-L323 HydrophobicContact CB-CD1 4.42Å; R286-L323 HydrophobicContact CG-CB 4.05Å; R286-L323 HydrophobicContact CG-CD1 4.33Å; R286-P324 PolarHBondContact N-O 2.87Å; R286-L325 HydrophobicContact CB-CD2 4.29Å; R286-H337 WeakPolarHBondContact O-CB 3.39Å; R286-R356 PolarHBondContact NH1-O 3.47Å; R286-R358 PolarHBondContact NH1-O 3.31Å; R286-R358 PolarHBondContact NH2-O 2.86Å; R286-L370 HydrophobicContact CB-CD2 4.23Å; R286-L370 HydrophobicContact CG-CD1 4.44Å; R286-L370 HydrophobicContact CG-CD2 4.43Å; R286-L370 WeakPolarHBondContact O-CD2 3.24Å
287G98.7Very high96.9Very high0 Ų021.2 Ų21.20%010%0.104CC..  trans-103.1178.9163.500000112.2G255 D256 H289 E290 H337G255-G287 VanDerWaalsContact CA-N 3.33Å; D256-G287 WeakPolarHBondContact OD1-CA 3.32Å; G287-H289 VanDerWaalsContact C-N 3.28Å; G287-E290 WeakPolarHBondContact CA-OE2 3.38Å; G287-E290 PolarHBondContact N-OE2 3.2Å; G287-E290 PolarHBondContact O-N 2.99Å; G287-H337 VanDerWaalsContact CA-CG 3.45Å
288N98Very high96.7Very high3 Ų319.8 Ų19.82%0.01610%0.097CC..SBendtrans-72.3-27.4176.665-62.6000111.3D256 E290 S291 M294 H337 L370 W371 H412D256-N288 PolarHBondContact OD1-N 3Å; D256-N288 VanDerWaalsContact OD1-N 3.12Å; D256-N288 PolarHBondContact OD1-OD1 2.98Å; D256-N288 PolarHBondContact OD2-OD1 3.5Å; D256-N288 VanDerWaalsContact OD2-OD1 3.11Å; N288-E290 PolarHBondContact O-N 3.36Å; N288-S291 VanDerWaalsContact O-CB 3.29Å; N288-S291 WeakPolarHBondContact O-CB 3.4Å; N288-S291 PolarHBondContact O-N 2.99Å; N288-S291 PolarHBondContact O-OG 2.84Å; N288-M294 WeakPolarHBondContact O-CG 3.3Å; N288-H337 PolarHBondContact OD1-NE2 3.34Å; N288-L370 HydrophobicContact CB-CB 4.2Å; N288-W371 HydrophobicContact CB-CD2 3.79Å; N288-W371 VanDerWaalsContact CB-CE2 3.43Å; N288-W371 HydrophobicContact CB-CE3 4.25Å; N288-W371 HydrophobicContact CB-CG 4.32Å; N288-W371 HydrophobicContact CB-CH2 4.18Å; N288-W371 HydrophobicContact CB-CZ2 3.66Å; N288-W371 HydrophobicContact CB-CZ3 4.44Å; N288-W371 VanDerWaalsContact ND2-CH2 3.29Å; N288-W371 WeakPolarHBondContact ND2-CH2 3.47Å; N288-W371 WeakPolarHBondContact ND2-CZ3 3.2Å; N288-H412 PolarHBondContact OD1-CE1 3.45Å; N288-H412 PolarHBondContact OD1-ND1 2.94Å
289H98.3Very high96.5Very high5 Ų518.8 Ų18.82%0.02310%0.095CC..SBendtrans-72.8-13.3174.2-77.6-96.9000113.4H229 D256 D259 G287 S291 M294 N295 Y298H229-H289 AromaticContact CE1-CD2 3.51Å; H229-H289 AromaticContact CE1-CE1 3.97Å; H229-H289 AromaticContact CE1-CG 3.74Å; H229-H289 AromaticContact CE1-NE2 3.66Å; D256-H289 HydrophobicContact CB-CB 4.41Å; D256-H289 WeakPolarHBondContact OD1-CB 3.17Å; D256-H289 IonicContact OD1-CD2 3.37Å; D256-H289 IonicContact OD1-CG 3.37Å; D256-H289 PolarHBondContact OD1-N 3.49Å; D256-H289 IonicContact OD2-CD2 3.37Å; D256-H289 PolarHBondContact OD2-CD2 3.08Å; D256-H289 IonicContact OD2-CG 3.9Å; D259-H289 HydrophobicContact CB-CB 4.33Å; D259-H289 WeakPolarHBondContact CB-ND1 3.18Å; D259-H289 IonicContact OD2-CG 3.2Å; D259-H289 IonicContact OD2-ND1 3.84Å; D259-H289 PolarHBondContact OD2-ND1 2.69Å; G287-H289 VanDerWaalsContact C-N 3.28Å; H289-S291 PolarHBondContact O-N 3.45Å; H289-M294 HydrophobicContact CB-CB 4.5Å; H289-N295 PolarHBondContact O-ND2 3.47Å; H289-Y298 AromaticContact CE1-CD2 3.37Å; H289-Y298 WeakPolarHBondContact CE1-CD2 3.48Å; H289-Y298 AromaticContact CE1-CE2 3.82Å; H289-Y298 AromaticContact CE1-CG 3.64Å; H289-Y298 AromaticContact ND1-CD2 3.92Å
290E98.5Very high96.6Very high0 Ų017 Ų170%08%0.083CC..SBendtrans-82.350.4165-72.173.4-135.400111.3D256 F257 R286 G287 N288 F320 L323D256-E290 PolarHBondContact N-OE1 3.4Å; D256-E290 PolarHBondContact N-OE2 3Å; F257-E290 HydrophobicContact CD2-CG 4.06Å; F257-E290 HydrophobicContact CE2-CG 4.42Å; F257-E290 PolarHBondContact N-OE1 3.46Å; R286-E290 HydrophobicContact CG-CB 3.9Å; R286-E290 PolarHBondContact NE-O 3.07Å; R286-E290 PolarHBondContact NH2-O 3.42Å; G287-E290 WeakPolarHBondContact CA-OE2 3.38Å; G287-E290 PolarHBondContact N-OE2 3.2Å; G287-E290 PolarHBondContact O-N 2.99Å; N288-E290 PolarHBondContact O-N 3.36Å; E290-F320 HydrophobicContact CB-CB 3.95Å; E290-F320 HydrophobicContact CB-CD1 4.2Å; E290-F320 HydrophobicContact CB-CD2 3.87Å; E290-F320 HydrophobicContact CB-CE2 4.39Å; E290-F320 HydrophobicContact CB-CG 3.76Å; E290-F320 HydrophobicContact CG-CD1 3.88Å; E290-F320 HydrophobicContact CG-CD2 4Å; E290-F320 HydrophobicContact CG-CE1 3.95Å; E290-F320 HydrophobicContact CG-CE2 4.06Å; E290-F320 HydrophobicContact CG-CG 3.91Å; E290-F320 HydrophobicContact CG-CZ 4.04Å; E290-L323 HydrophobicContact CB-CD1 3.96Å; E290-L323 HydrophobicContact CG-CD1 3.71Å
291S96.8Very high96.6Very high6 Ų613.1 Ų13.14%0.0426%0.061CC..SBendtrans-139.1150.8176.773.10000112N288 H289 H293 M294 N295N288-S291 VanDerWaalsContact O-CB 3.29Å; N288-S291 WeakPolarHBondContact O-CB 3.4Å; N288-S291 PolarHBondContact O-N 2.99Å; N288-S291 PolarHBondContact O-OG 2.84Å; H289-S291 PolarHBondContact O-N 3.45Å; S291-H293 VanDerWaalsContact C-N 3.34Å; S291-H293 PolarHBondContact O-N 3.27Å; S291-M294 PolarHBondContact O-N 2.74Å; S291-M294 WeakPolarHBondContact OG-CB 3.37Å; S291-M294 VanDerWaalsContact OG-CG 3.25Å; S291-M294 WeakPolarHBondContact OG-CG 3.45Å; S291-N295 PolarHBondContact O-N 3.3Å; S291-N295 PolarHBondContact O-OD1 2.67Å
292E94.2Very high96.5Very high47 Ų4711.1 Ų11.122%0.226%0.059CC..Hα-helixtrans-61.6-41.3-173.7178.5179-146.300112.6R296 T317E292-R296 VanDerWaalsContact CD-NH2 3.26Å; E292-R296 VanDerWaalsContact O-CG 3.31Å; E292-R296 WeakPolarHBondContact O-CG 3.41Å; E292-R296 PolarHBondContact O-N 3.37Å; E292-R296 IonicContact OE1-CZ 3.73Å; E292-R296 IonicContact OE1-NE 3.4Å; E292-R296 IonicContact OE1-NH2 3.41Å; E292-R296 PolarHBondContact OE1-NH2 3.23Å; E292-R296 IonicContact OE2-NH2 3.5Å; E292-T317 HydrophobicContact CB-CG2 4.14Å
293H92.3Very high96.5Very high38 Ų3811.1 Ų11.118%0.1766%0.059CC..Hα-helixtrans-66-44.3-179.4177.349.5000111A89 G91 Y93 S291 R296 L297A89-H293 PolarHBondContact O-NE2 3.27Å; G91-H293 PolarHBondContact N-NE2 3.25Å; Y93-H293 PolarHBondContact OH-CE1 3.01Å; Y93-H293 PolarHBondContact OH-ND1 3.32Å; S291-H293 VanDerWaalsContact C-N 3.34Å; S291-H293 PolarHBondContact O-N 3.27Å; H293-R296 PolarHBondContact O-N 3.01Å; H293-L297 WeakPolarHBondContact O-CB 3.27Å; H293-L297 PolarHBondContact O-N 3.32Å
294M94.4Very high96.5Very high5 Ų510 Ų103%0.0256%0.055CC..Hα-helixtrans-64.1-46.4177.1-66.5-58.3100.300111.6D259 N288 H289 S291 R296 L297 Y298 W371D259-M294 VanDerWaalsContact OD2-C 3.27Å; N288-M294 WeakPolarHBondContact O-CG 3.3Å; H289-M294 HydrophobicContact CB-CB 4.5Å; S291-M294 PolarHBondContact O-N 2.74Å; S291-M294 WeakPolarHBondContact OG-CB 3.37Å; S291-M294 VanDerWaalsContact OG-CG 3.25Å; S291-M294 WeakPolarHBondContact OG-CG 3.45Å; M294-R296 PolarHBondContact O-N 2.77Å; M294-L297 HydrophobicContact CE-CD2 4.47Å; M294-L297 PolarHBondContact O-N 3.13Å; M294-Y298 HydrophobicContact CB-CD2 4.31Å; M294-Y298 HydrophobicContact CE-CE2 4.32Å; M294-Y298 WeakPolarHBondContact O-CD2 3.29Å; M294-Y298 PolarHBondContact O-N 2.92Å; M294-Y298 HydrophobicContact SD-CD2 3.89Å; M294-Y298 HydrophobicContact SD-CE2 3.49Å; M294-Y298 WeakPolarHBondContact SD-CE2 3.27Å; M294-W371 HydrophobicContact CE-CH2 3.86Å; M294-W371 HydrophobicContact CE-CZ2 4.1Å; M294-W371 HydrophobicContact CG-CH2 4.26Å; M294-W371 HydrophobicContact CG-CZ2 4.14Å; M294-W371 HydrophobicContact SD-CH2 3.51Å; M294-W371 VanDerWaalsContact SD-CH2 3.51Å; M294-W371 HydrophobicContact SD-CZ2 3.94Å
295N96.9Very high96.4Very high6 Ų613.3 Ų13.33%0.0327%0.069CC..Hα-helixtrans-61.7-31.1-178.4-65.8156.9000114.3V258 D259 H289 S291 G299 F300 E301V258-N295 WeakPolarHBondContact CG2-ND2 3.25Å; D259-N295 WeakPolarHBondContact OD1-CA 3.38Å; D259-N295 WeakPolarHBondContact OD2-CA 3.34Å; D259-N295 PolarHBondContact OD2-N 2.68Å; D259-N295 PolarHBondContact OD2-ND2 2.83Å; H289-N295 PolarHBondContact O-ND2 3.47Å; S291-N295 PolarHBondContact O-N 3.3Å; S291-N295 PolarHBondContact O-OD1 2.67Å; N295-G299 PolarHBondContact O-N 3.32Å; N295-F300 HydrophobicContact CB-CB 4.04Å; N295-F300 HydrophobicContact CB-CD1 4.11Å; N295-F300 PolarHBondContact O-N 2.82Å; N295-E301 HydrophobicContact CB-CB 4.39Å; N295-E301 WeakPolarHBondContact O-CB 3.27Å; N295-E301 PolarHBondContact O-N 2.92Å
296R92.1Very high96.3Very high24 Ų2417.3 Ų17.39%0.09110%0.097CC..Hα-helixtrans-71.8-40.2173.2-71.2175.3-172.6-171.86.3111.5R126 E130 E292 H293 M294 E301 L483R126-R296 VanDerWaalsContact CZ-CZ 3.44Å; R126-R296 VanDerWaalsContact NH1-CZ 3.32Å; E130-R296 IonicContact OE1-NH2 2.64Å; E130-R296 IonicContact OE2-NH2 3.26Å; E292-R296 VanDerWaalsContact CD-NH2 3.26Å; E292-R296 VanDerWaalsContact O-CG 3.31Å; E292-R296 WeakPolarHBondContact O-CG 3.41Å; E292-R296 PolarHBondContact O-N 3.37Å; E292-R296 IonicContact OE1-CZ 3.73Å; E292-R296 IonicContact OE1-NE 3.4Å; E292-R296 IonicContact OE1-NH2 3.41Å; E292-R296 PolarHBondContact OE1-NH2 3.23Å; E292-R296 IonicContact OE2-NH2 3.5Å; H293-R296 PolarHBondContact O-N 3.01Å; M294-R296 PolarHBondContact O-N 2.77Å; R296-E301 HydrophobicContact CG-CB 4.41Å; R296-E301 HydrophobicContact CG-CG 4.44Å; R296-L483 HydrophobicContact CB-CD1 4.46Å; R296-L483 VanDerWaalsContact O-CD1 3.26Å; R296-L483 WeakPolarHBondContact O-CD1 3.38Å
297L90.9Very high96.3Very high5 Ų519.1 Ų19.13%0.02610%0.104CC..Hα-helixtrans-76.7-39.5-174.4-173.458.5000112.2H293 M294 V479 L483 M487H293-L297 WeakPolarHBondContact O-CB 3.27Å; H293-L297 PolarHBondContact O-N 3.32Å; M294-L297 HydrophobicContact CE-CD2 4.47Å; M294-L297 PolarHBondContact O-N 3.13Å; L297-V479 WeakPolarHBondContact O-CG1 3.4Å; L297-L483 HydrophobicContact CD1-CB 4.12Å; L297-M487 HydrophobicContact CD1-CE 3.6Å; L297-M487 HydrophobicContact CD1-CG 4.32Å; L297-M487 HydrophobicContact CD1-SD 3.78Å; L297-M487 HydrophobicContact CD2-SD 3.83Å; L297-M487 HydrophobicContact CG-CE 3.77Å; L297-M487 HydrophobicContact CG-SD 3.59Å; L297-M487 VanDerWaalsContact CG-SD 3.59Å; L297-M487 WeakPolarHBondContact O-CE 3.33Å
298Y94.4Very high96.2Very high5 Ų520.8 Ų20.82%0.0211%0.111CC..Hα-helixtrans-1128.3-169.8-61.9-79.6000115.1E57 D259 R260 H289 M294 M476 M487E57-Y298 WeakPolarHBondContact OE1-CE1 3.46Å; E57-Y298 PolarHBondContact OE2-OH 2.71Å; D259-Y298 VanDerWaalsContact CB-CB 3.5Å; D259-Y298 VanDerWaalsContact CG-CB 3.49Å; R260-Y298 PolarHBondContact N-O 2.66Å; H289-Y298 AromaticContact CE1-CD2 3.37Å; H289-Y298 WeakPolarHBondContact CE1-CD2 3.48Å; H289-Y298 AromaticContact CE1-CE2 3.82Å; H289-Y298 AromaticContact CE1-CG 3.64Å; H289-Y298 AromaticContact ND1-CD2 3.92Å; M294-Y298 HydrophobicContact CB-CD2 4.31Å; M294-Y298 HydrophobicContact CE-CE2 4.32Å; M294-Y298 WeakPolarHBondContact O-CD2 3.29Å; M294-Y298 PolarHBondContact O-N 2.92Å; M294-Y298 HydrophobicContact SD-CD2 3.89Å; M294-Y298 HydrophobicContact SD-CE2 3.49Å; M294-Y298 WeakPolarHBondContact SD-CE2 3.27Å; Y298-M476 HydrophobicContact CD1-CE 3.55Å; Y298-M476 HydrophobicContact CD1-SD 4.14Å; Y298-M476 HydrophobicContact CE1-CE 4.32Å; Y298-M476 HydrophobicContact CG-CE 4.38Å; Y298-M476 VanDerWaalsContact O-SD 3.35Å; Y298-M487 HydrophobicContact CD1-CE 4.25Å; Y298-M487 HydrophobicContact CD1-SD 4Å; Y298-M487 HydrophobicContact CE1-CE 4.08Å; Y298-M487 HydrophobicContact CE1-SD 3.26Å; Y298-M487 WeakPolarHBondContact CE1-SD 3.44Å; Y298-M487 HydrophobicContact CE2-SD 4.43Å; Y298-M487 VanDerWaalsContact CZ-SD 3.52Å
299G94.9Very high96.1Very high6 Ų621.5 Ų21.56%0.06212%0.117CC..SBendtrans107-10.7154.100000116.1D259 N295 E301 G302 E303 Y478D259-G299 PolarHBondContact OD1-N 3.38Å; N295-G299 PolarHBondContact O-N 3.32Å; G299-E301 VanDerWaalsContact C-N 3.32Å; G299-E301 PolarHBondContact O-N 3.39Å; G299-G302 PolarHBondContact O-N 3.26Å; G299-G302 VanDerWaalsContact O-N 3.1Å; G299-E303 PolarHBondContact O-N 3.07Å; G299-Y478 WeakPolarHBondContact O-CB 3.12Å
300F98.1Very high95.8Very high3 Ų324.2 Ų24.21%0.01314%0.136CC..Hα-helixtrans-59.7-41.6178.5-179.1-121.2000112.4V258 D259 S264 V265 I268 N295 G302 E303 V304 F316 F320V258-F300 HydrophobicContact CB-CB 4.09Å; V258-F300 HydrophobicContact CB-CD1 4.2Å; V258-F300 HydrophobicContact CB-CD2 3.73Å; V258-F300 HydrophobicContact CB-CE2 4.15Å; V258-F300 HydrophobicContact CB-CG 3.74Å; V258-F300 HydrophobicContact CG1-CD1 4.34Å; V258-F300 HydrophobicContact CG1-CD2 3.81Å; V258-F300 HydrophobicContact CG1-CE1 4.23Å; V258-F300 HydrophobicContact CG1-CE2 3.67Å; V258-F300 HydrophobicContact CG1-CG 4.12Å; V258-F300 HydrophobicContact CG1-CZ 3.89Å; V258-F300 HydrophobicContact CG2-CB 4.12Å; V258-F300 HydrophobicContact CG2-CD1 4Å; V258-F300 HydrophobicContact CG2-CD2 4.41Å; V258-F300 HydrophobicContact CG2-CG 3.92Å; D259-F300 WeakPolarHBondContact OD1-CB 3.37Å; D259-F300 PolarHBondContact OD1-N 3.38Å; S264-F300 VanDerWaalsContact CB-CD2 3.41Å; V265-F300 HydrophobicContact CG2-CE2 4.19Å; I268-F300 HydrophobicContact CG2-CE2 4.33Å; I268-F300 HydrophobicContact CG2-CZ 4.22Å; N295-F300 HydrophobicContact CB-CB 4.04Å; N295-F300 HydrophobicContact CB-CD1 4.11Å; N295-F300 PolarHBondContact O-N 2.82Å; F300-G302 VanDerWaalsContact C-N 3.27Å; F300-G302 PolarHBondContact O-N 2.88Å; F300-E303 PolarHBondContact O-N 3.37Å; F300-V304 HydrophobicContact CD1-CG2 4.35Å; F300-V304 HydrophobicContact CD2-CG2 3.94Å; F300-V304 HydrophobicContact CE1-CG2 3.95Å; F300-V304 HydrophobicContact CE2-CG2 3.51Å; F300-V304 HydrophobicContact CG-CG2 4.37Å; F300-V304 HydrophobicContact CZ-CG2 3.51Å; F300-V304 WeakPolarHBondContact O-CG2 3.42Å; F300-V304 PolarHBondContact O-N 3.37Å; F300-F316 HydrophobicContact CE1-CB 3.89Å; F300-F316 HydrophobicContact CE1-CD1 4.25Å; F300-F316 HydrophobicContact CE1-CD2 4.18Å; F300-F316 AromaticContact CE1-CG 3.87Å; F300-F316 HydrophobicContact CE1-CG 3.87Å; F300-F316 HydrophobicContact CZ-CB 4.35Å; F300-F316 AromaticContact CZ-CD1 3.96Å; F300-F316 HydrophobicContact CZ-CD1 3.96Å; F300-F316 AromaticContact CZ-CD2 3.88Å; F300-F316 HydrophobicContact CZ-CD2 3.88Å; F300-F316 HydrophobicContact CZ-CE1 4.17Å; F300-F316 HydrophobicContact CZ-CE2 4.09Å; F300-F316 AromaticContact CZ-CG 3.81Å; F300-F316 HydrophobicContact CZ-CG 3.81Å; F300-F316 HydrophobicContact CZ-CZ 4.23Å; F300-F320 AromaticContact CD1-CE2 3.88Å; F300-F320 HydrophobicContact CD1-CE2 3.88Å; F300-F320 HydrophobicContact CD1-CZ 4.36Å; F300-F320 AromaticContact CE1-CE2 3.43Å; F300-F320 HydrophobicContact CE1-CE2 3.43Å; F300-F320 VanDerWaalsContact CE1-CE2 3.43Å; F300-F320 AromaticContact CE1-CZ 3.6Å; F300-F320 HydrophobicContact CE1-CZ 3.6Å; F300-F320 HydrophobicContact CZ-CE2 4.28Å; F300-F320 AromaticContact CZ-CZ 3.99Å; F300-F320 HydrophobicContact CZ-CZ 3.99Å
301E97.1Very high95.5Very high31 Ų3129.7 Ų29.715%0.14516%0.162CC..Hα-helixtrans-60.2-40.9177.2-165.4-152.8-15800110.9R126 N295 R296 G299 K305 A313R126-E301 IonicContact NH1-OE1 3.3Å; N295-E301 HydrophobicContact CB-CB 4.39Å; N295-E301 WeakPolarHBondContact O-CB 3.27Å; N295-E301 PolarHBondContact O-N 2.92Å; R296-E301 HydrophobicContact CG-CB 4.41Å; R296-E301 HydrophobicContact CG-CG 4.44Å; G299-E301 VanDerWaalsContact C-N 3.32Å; G299-E301 PolarHBondContact O-N 3.39Å; E301-K305 HydrophobicContact CG-CD 4.38Å; E301-K305 WeakPolarHBondContact O-CB 3.48Å; E301-K305 WeakPolarHBondContact O-CD 3.3Å; E301-K305 VanDerWaalsContact O-CG 3.24Å; E301-K305 WeakPolarHBondContact O-CG 3.3Å; E301-K305 PolarHBondContact O-N 3.02Å; E301-K305 VanDerWaalsContact O-N 3.12Å; E301-K305 IonicContact OE1-NZ 3.61Å; E301-K305 PolarHBondContact OE1-NZ 3.5Å; E301-K305 IonicContact OE2-NZ 3.83Å; E301-K305 PolarHBondContact OE2-NZ 2.93Å; E301-A313 HydrophobicContact CG-CB 4.18Å
302G96.9Very high95.4Very high23 Ų2329.5 Ų29.524%0.23716%0.16CC..Hα-helixtrans-66.6-41.2176.400000112.5G299 F300 K305 S306G299-G302 PolarHBondContact O-N 3.26Å; G299-G302 VanDerWaalsContact O-N 3.1Å; F300-G302 VanDerWaalsContact C-N 3.27Å; F300-G302 PolarHBondContact O-N 2.88Å; G302-K305 PolarHBondContact O-N 2.83Å; G302-S306 WeakPolarHBondContact O-CB 3.13Å; G302-S306 PolarHBondContact O-N 3Å
303E98.3Very high95.4Very high0 Ų027.6 Ų27.60%015%0.152CC..Hα-helixtrans-62.8-48.8178.8-173.4-175.9151.100111S264 V265 G299 F300 K305 S306 K307 Y478S264-E303 WeakPolarHBondContact CB-OE2 3.29Å; S264-E303 PolarHBondContact N-OE1 3.29Å; S264-E303 PolarHBondContact N-OE2 3.02Å; S264-E303 PolarHBondContact OG-OE2 3.11Å; V265-E303 WeakPolarHBondContact CB-OE1 3.32Å; V265-E303 HydrophobicContact CG2-CG 4.03Å; V265-E303 WeakPolarHBondContact CG2-OE1 3.37Å; V265-E303 PolarHBondContact N-OE1 2.96Å; G299-E303 PolarHBondContact O-N 3.07Å; F300-E303 PolarHBondContact O-N 3.37Å; E303-K305 VanDerWaalsContact C-N 3.33Å; E303-K305 PolarHBondContact O-N 2.82Å; E303-S306 PolarHBondContact O-N 3.36Å; E303-S306 VanDerWaalsContact O-N 3.15Å; E303-K307 HydrophobicContact CG-CD 3.98Å; E303-K307 PolarHBondContact O-N 3.45Å; E303-K307 IonicContact OE1-NZ 3.47Å; E303-K307 PolarHBondContact OE1-NZ 2.99Å; E303-Y478 HydrophobicContact CB-CD1 4.36Å; E303-Y478 HydrophobicContact CB-CD2 3.63Å; E303-Y478 HydrophobicContact CB-CE2 4.16Å; E303-Y478 HydrophobicContact CB-CG 3.75Å; E303-Y478 HydrophobicContact CG-CD2 3.71Å; E303-Y478 HydrophobicContact CG-CE2 3.71Å; E303-Y478 HydrophobicContact CG-CG 4.2Å
304V98.4Very high95.4Very high0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-62.5-41.1178.31770000111.2V265 F300 S306 K307 Y308 S309 V312 A313 F316V265-V304 HydrophobicContact CG2-CG2 3.86Å; F300-V304 HydrophobicContact CD1-CG2 4.35Å; F300-V304 HydrophobicContact CD2-CG2 3.94Å; F300-V304 HydrophobicContact CE1-CG2 3.95Å; F300-V304 HydrophobicContact CE2-CG2 3.51Å; F300-V304 HydrophobicContact CG-CG2 4.37Å; F300-V304 HydrophobicContact CZ-CG2 3.51Å; F300-V304 WeakPolarHBondContact O-CG2 3.42Å; F300-V304 PolarHBondContact O-N 3.37Å; V304-S306 VanDerWaalsContact C-N 3.29Å; V304-S306 PolarHBondContact O-N 3.31Å; V304-K307 PolarHBondContact O-N 2.93Å; V304-Y308 CarbonylContact O-C 3.07Å; V304-Y308 WeakPolarHBondContact O-CA 3.2Å; V304-Y308 PolarHBondContact O-N 3.39Å; V304-S309 PolarHBondContact O-N 3.14Å; V304-V312 HydrophobicContact CG1-CB 3.9Å; V304-V312 HydrophobicContact CG1-CG1 3.67Å; V304-A313 HydrophobicContact CB-CB 4.18Å; V304-A313 HydrophobicContact CG1-CB 3.9Å; V304-F316 HydrophobicContact CG1-CD2 4Å; V304-F316 HydrophobicContact CG1-CE2 4.14Å; V304-F316 HydrophobicContact CG2-CD2 3.83Å; V304-F316 HydrophobicContact CG2-CE2 3.91Å
305K97.5Very high95.5Very high73 Ų7329.2 Ų29.232%0.31716%0.162SC..Hα-helixtrans-63.5-35.9175.7-76.2170.4-177.4169.50112.6E301 G302 E303 A313E301-K305 HydrophobicContact CG-CD 4.38Å; E301-K305 WeakPolarHBondContact O-CB 3.48Å; E301-K305 WeakPolarHBondContact O-CD 3.3Å; E301-K305 VanDerWaalsContact O-CG 3.24Å; E301-K305 WeakPolarHBondContact O-CG 3.3Å; E301-K305 PolarHBondContact O-N 3.02Å; E301-K305 VanDerWaalsContact O-N 3.12Å; E301-K305 IonicContact OE1-NZ 3.61Å; E301-K305 PolarHBondContact OE1-NZ 3.5Å; E301-K305 IonicContact OE2-NZ 3.83Å; E301-K305 PolarHBondContact OE2-NZ 2.93Å; G302-K305 PolarHBondContact O-N 2.83Å; E303-K305 VanDerWaalsContact C-N 3.33Å; E303-K305 PolarHBondContact O-N 2.82Å; K305-A313 HydrophobicContact CG-CB 4.48Å
306S97.5Very high95.5Very high84 Ų8429 Ų2959%0.58716%0.161SC*.Hα-helixtrans-72.5-41178.2-172.60000112.4G302 E303 V304G302-S306 WeakPolarHBondContact O-CB 3.13Å; G302-S306 PolarHBondContact O-N 3Å; E303-S306 PolarHBondContact O-N 3.36Å; E303-S306 VanDerWaalsContact O-N 3.15Å; V304-S306 VanDerWaalsContact C-N 3.29Å; V304-S306 PolarHBondContact O-N 3.31Å
307K97.9Very high95.7Very high37 Ų3729 Ų2916%0.16116%0.163CC..Hα-helixtrans-86.1-28.3-176.3-66.8180-176.8175.10112.9V188 S262 V265 E266 E303 V304V188-K307 HydrophobicContact CG1-CB 4.25Å; V188-K307 HydrophobicContact CG1-CD 4.07Å; V188-K307 HydrophobicContact CG1-CG 4.15Å; S262-K307 PolarHBondContact O-NZ 3.12Å; V265-K307 HydrophobicContact CB-CD 3.89Å; V265-K307 HydrophobicContact CG1-CD 4.06Å; V265-K307 HydrophobicContact CG2-CD 3.98Å; E266-K307 IonicContact OE1-NZ 2.7Å; E266-K307 PolarHBondContact OE1-NZ 3.22Å; E266-K307 IonicContact OE2-NZ 3.89Å; E266-K307 PolarHBondContact OE2-NZ 3.1Å; E303-K307 HydrophobicContact CG-CD 3.98Å; E303-K307 PolarHBondContact O-N 3.45Å; E303-K307 IonicContact OE1-NZ 3.47Å; E303-K307 PolarHBondContact OE1-NZ 2.99Å; V304-K307 PolarHBondContact O-N 2.93Å
308Y96.8Very high95.8Very high35 Ų3530.7 Ų30.714%0.13717%0.173CC..SBendtrans-133.6-98.7-179.2-59.1-75000112L189 K191 A194 V265 F269 V304 V312L189-Y308 WeakPolarHBondContact O-CE1 3.22Å; L189-Y308 PolarHBondContact O-OH 2.92Å; K191-Y308 HydrophobicContact CB-CD1 4.32Å; K191-Y308 HydrophobicContact CG-CD1 4.48Å; A194-Y308 HydrophobicContact CB-CE1 3.96Å; V265-Y308 HydrophobicContact CG1-CE2 3.6Å; F269-Y308 AromaticContact CE2-CE2 3.77Å; F269-Y308 HydrophobicContact CE2-CE2 3.77Å; V304-Y308 CarbonylContact O-C 3.07Å; V304-Y308 WeakPolarHBondContact O-CA 3.2Å; V304-Y308 PolarHBondContact O-N 3.39Å; Y308-V312 HydrophobicContact CD2-CG1 4.24Å; Y308-V312 HydrophobicContact CG-CG1 4.31Å
309S95.2Very high96Very high19 Ų1930.5 Ų30.513%0.13317%0.172CC..  trans-164169.1-177.274.50000112.3V304 E311 V312 A313V304-S309 PolarHBondContact O-N 3.14Å; S309-E311 VanDerWaalsContact C-N 3.27Å; S309-E311 WeakPolarHBondContact CB-OE2 3.3Å; S309-E311 PolarHBondContact O-N 3.34Å; S309-E311 PolarHBondContact OG-OE2 3.41Å; S309-V312 PolarHBondContact O-N 3.09Å; S309-A313 PolarHBondContact O-N 3.18Å
310S93.1Very high96.2Very high61 Ų6130.2 Ų30.243%0.42717%0.169SC..Hα-helixtrans-63.6-32.1176.6-61.80000112.7V312 A313 N314S310-V312 VanDerWaalsContact C-N 3.33Å; S310-V312 PolarHBondContact O-N 3.19Å; S310-A313 WeakPolarHBondContact O-CB 3.37Å; S310-A313 PolarHBondContact O-N 3.36Å; S310-N314 PolarHBondContact O-N 3.14Å; S310-N314 VanDerWaalsContact O-N 3.14Å
311E91.3Very high96.1Very high116 Ų11630.8 Ų30.854%0.54217%0.172SC..Hα-helixtrans-63.9-40.1176-58.279.6-169.900111.3S309 A313 N314 M315S309-E311 VanDerWaalsContact C-N 3.27Å; S309-E311 WeakPolarHBondContact CB-OE2 3.3Å; S309-E311 PolarHBondContact O-N 3.34Å; S309-E311 PolarHBondContact OG-OE2 3.41Å; E311-A313 VanDerWaalsContact C-N 3.32Å; E311-A313 PolarHBondContact O-N 3.21Å; E311-N314 PolarHBondContact O-N 3.27Å; E311-M315 VanDerWaalsContact O-CG 3.31Å; E311-M315 WeakPolarHBondContact O-CG 3.32Å; E311-M315 PolarHBondContact O-N 3.31Å
312V94.7Very high96.2Very high2 Ų231.6 Ų31.61%0.01217%0.174CC..Hα-helixtrans-66.7-36.1176.81790000110.9M198 V304 Y308 S309 S310 N314 M315 F316M198-V312 HydrophobicContact CE-CG1 3.99Å; M198-V312 HydrophobicContact SD-CG1 3.81Å; V304-V312 HydrophobicContact CG1-CB 3.9Å; V304-V312 HydrophobicContact CG1-CG1 3.67Å; Y308-V312 HydrophobicContact CD2-CG1 4.24Å; Y308-V312 HydrophobicContact CG-CG1 4.31Å; S309-V312 PolarHBondContact O-N 3.09Å; S310-V312 VanDerWaalsContact C-N 3.33Å; S310-V312 PolarHBondContact O-N 3.19Å; V312-N314 PolarHBondContact O-N 3.48Å; V312-M315 WeakPolarHBondContact O-CB 3.46Å; V312-M315 PolarHBondContact O-N 2.92Å; V312-F316 HydrophobicContact CG1-CD2 4.04Å; V312-F316 HydrophobicContact CG1-CE2 3.82Å; V312-F316 WeakPolarHBondContact O-CD2 3.33Å; V312-F316 PolarHBondContact O-N 3.41Å
313A95.4Very high96.2Very high6 Ų630.5 Ų30.55%0.0516%0.163CC..Hα-helixtrans-61.6-43174.600000111.8E301 V304 K305 S309 S310 E311 M315 F316 T317E301-A313 HydrophobicContact CG-CB 4.18Å; V304-A313 HydrophobicContact CB-CB 4.18Å; V304-A313 HydrophobicContact CG1-CB 3.9Å; K305-A313 HydrophobicContact CG-CB 4.48Å; S309-A313 PolarHBondContact O-N 3.18Å; S310-A313 WeakPolarHBondContact O-CB 3.37Å; S310-A313 PolarHBondContact O-N 3.36Å; E311-A313 VanDerWaalsContact C-N 3.32Å; E311-A313 PolarHBondContact O-N 3.21Å; A313-M315 VanDerWaalsContact C-N 3.35Å; A313-M315 PolarHBondContact O-N 3.12Å; A313-F316 PolarHBondContact O-N 3.33Å; A313-T317 PolarHBondContact O-N 3.24Å; A313-T317 PolarHBondContact O-OG1 2.92Å
314N92.6Very high96.3Very high75 Ų7530.6 Ų30.640%0.40116%0.163SC..Hα-helixtrans-64.3-38.9175-66.3-19.1000112.1S310 E311 V312 F316 T317 D318S310-N314 PolarHBondContact O-N 3.14Å; S310-N314 VanDerWaalsContact O-N 3.14Å; E311-N314 PolarHBondContact O-N 3.27Å; V312-N314 PolarHBondContact O-N 3.48Å; N314-F316 VanDerWaalsContact C-N 3.31Å; N314-F316 PolarHBondContact O-N 3.25Å; N314-T317 WeakPolarHBondContact O-CB 3.39Å; N314-T317 PolarHBondContact O-N 2.92Å; N314-D318 PolarHBondContact O-N 3.05Å; N314-D318 VanDerWaalsContact O-N 3.1Å
315M94.9Very high96.3Very high3 Ų330.6 Ų30.62%0.01516%0.163CC..Hα-helixtrans-62.7-36.3175.7-67.6170.9-177.800112.2P141 L142 F145 M198 E311 V312 A313 D318 I319P141-M315 HydrophobicContact CB-CE 3.95Å; P141-M315 HydrophobicContact CB-CG 4.47Å; L142-M315 HydrophobicContact CD1-CB 4.12Å; L142-M315 HydrophobicContact CD2-CB 4.08Å; L142-M315 HydrophobicContact CD2-CG 3.92Å; L142-M315 HydrophobicContact CD2-SD 3.71Å; L142-M315 HydrophobicContact CG-CB 4.05Å; L142-M315 HydrophobicContact CG-CG 3.91Å; L142-M315 HydrophobicContact CG-SD 4.34Å; F145-M315 HydrophobicContact CD2-CE 3.59Å; F145-M315 HydrophobicContact CE2-CE 3.86Å; M198-M315 HydrophobicContact CE-CB 3.45Å; M198-M315 VanDerWaalsContact CE-CB 3.45Å; E311-M315 VanDerWaalsContact O-CG 3.31Å; E311-M315 WeakPolarHBondContact O-CG 3.32Å; E311-M315 PolarHBondContact O-N 3.31Å; V312-M315 WeakPolarHBondContact O-CB 3.46Å; V312-M315 PolarHBondContact O-N 2.92Å; A313-M315 VanDerWaalsContact C-N 3.35Å; A313-M315 PolarHBondContact O-N 3.12Å; M315-D318 PolarHBondContact O-N 2.7Å; M315-I319 WeakPolarHBondContact O-CD1 3.37Å; M315-I319 VanDerWaalsContact O-CG1 3.29Å; M315-I319 WeakPolarHBondContact O-CG1 3.28Å; M315-I319 PolarHBondContact O-N 3.36Å; M315-I319 VanDerWaalsContact O-N 3.07Å
316F97.7Very high96.3Very high1 Ų127.1 Ų27.10%0.00415%0.148CC..Hα-helixtrans-63.9-42172.5-85.2-67.9000112.2M198 I268 F269 F272 F300 V304 V312 A313 N314 D318 I319 F320M198-F316 HydrophobicContact CE-CB 4.39Å; M198-F316 HydrophobicContact CE-CD1 3.93Å; M198-F316 HydrophobicContact CE-CD2 3.58Å; M198-F316 HydrophobicContact CE-CE1 4.06Å; M198-F316 HydrophobicContact CE-CE2 3.74Å; M198-F316 HydrophobicContact CE-CG 3.69Å; M198-F316 HydrophobicContact CE-CZ 3.97Å; M198-F316 HydrophobicContact SD-CE2 4.14Å; M198-F316 HydrophobicContact SD-CZ 4.18Å; I268-F316 HydrophobicContact CB-CE1 4.44Å; I268-F316 HydrophobicContact CG1-CE1 3.99Å; I268-F316 HydrophobicContact CG2-CE1 3.54Å; I268-F316 HydrophobicContact CG2-CZ 3.72Å; F269-F316 HydrophobicContact CD2-CZ 4.42Å; F269-F316 HydrophobicContact CE1-CZ 4.38Å; F269-F316 HydrophobicContact CE2-CE2 4.28Å; F269-F316 AromaticContact CE2-CZ 3.68Å; F269-F316 HydrophobicContact CE2-CZ 3.68Å; F269-F316 HydrophobicContact CZ-CE2 4.29Å; F269-F316 AromaticContact CZ-CZ 3.64Å; F269-F316 HydrophobicContact CZ-CZ 3.64Å; F272-F316 HydrophobicContact CE2-CD1 4.22Å; F272-F316 AromaticContact CE2-CE1 3.83Å; F272-F316 HydrophobicContact CE2-CE1 3.83Å; F300-F316 HydrophobicContact CE1-CB 3.89Å; F300-F316 HydrophobicContact CE1-CD1 4.25Å; F300-F316 HydrophobicContact CE1-CD2 4.18Å; F300-F316 AromaticContact CE1-CG 3.87Å; F300-F316 HydrophobicContact CE1-CG 3.87Å; F300-F316 HydrophobicContact CZ-CB 4.35Å; F300-F316 AromaticContact CZ-CD1 3.96Å; F300-F316 HydrophobicContact CZ-CD1 3.96Å; F300-F316 AromaticContact CZ-CD2 3.88Å; F300-F316 HydrophobicContact CZ-CD2 3.88Å; F300-F316 HydrophobicContact CZ-CE1 4.17Å; F300-F316 HydrophobicContact CZ-CE2 4.09Å; F300-F316 AromaticContact CZ-CG 3.81Å; F300-F316 HydrophobicContact CZ-CG 3.81Å; F300-F316 HydrophobicContact CZ-CZ 4.23Å; V304-F316 HydrophobicContact CG1-CD2 4Å; V304-F316 HydrophobicContact CG1-CE2 4.14Å; V304-F316 HydrophobicContact CG2-CD2 3.83Å; V304-F316 HydrophobicContact CG2-CE2 3.91Å; V312-F316 HydrophobicContact CG1-CD2 4.04Å; V312-F316 HydrophobicContact CG1-CE2 3.82Å; V312-F316 WeakPolarHBondContact O-CD2 3.33Å; V312-F316 PolarHBondContact O-N 3.41Å; A313-F316 PolarHBondContact O-N 3.33Å; N314-F316 VanDerWaalsContact C-N 3.31Å; N314-F316 PolarHBondContact O-N 3.25Å; F316-D318 VanDerWaalsContact C-N 3.28Å; F316-D318 PolarHBondContact O-N 2.87Å; F316-I319 PolarHBondContact O-N 3.43Å; F316-I319 VanDerWaalsContact O-N 3.14Å; F316-F320 HydrophobicContact CB-CE2 4.46Å; F316-F320 HydrophobicContact CD1-CE1 4.16Å; F316-F320 HydrophobicContact CD1-CZ 4.13Å; F316-F320 WeakPolarHBondContact O-CB 3.4Å; F316-F320 VanDerWaalsContact O-CG 3.27Å; F316-F320 WeakPolarHBondContact O-CG 3.24Å; F316-F320 PolarHBondContact O-N 3.41Å
317T95.6Very high96.4Very high23 Ų2323.2 Ų23.214%0.14112%0.12CC..Hα-helixtrans-56-44.4174.6-57.80000111.5E292 A313 N314 F320 N321E292-T317 HydrophobicContact CB-CG2 4.14Å; A313-T317 PolarHBondContact O-N 3.24Å; A313-T317 PolarHBondContact O-OG1 2.92Å; N314-T317 WeakPolarHBondContact O-CB 3.39Å; N314-T317 PolarHBondContact O-N 2.92Å; T317-F320 PolarHBondContact O-N 3.37Å; T317-N321 PolarHBondContact O-N 2.98Å; T317-N321 VanDerWaalsContact O-N 3.12Å; T317-N321 PolarHBondContact O-ND2 3.23Å; T317-N321 PolarHBondContact O-OD1 3.29Å
318D94.5Very high96.5Very high42 Ų4221.9 Ų21.923%0.22512%0.115CC..Hα-helixtrans-61.8-43.5176.5-71-11000111.9S140 P141 F202 N314 M315 F316 N321S140-D318 WeakPolarHBondContact CB-OD2 3.22Å; S140-D318 PolarHBondContact OG-OD2 3.22Å; P141-D318 WeakPolarHBondContact CD-OD2 3.36Å; F202-D318 HydrophobicContact CE2-CB 4.18Å; N314-D318 PolarHBondContact O-N 3.05Å; N314-D318 VanDerWaalsContact O-N 3.1Å; M315-D318 PolarHBondContact O-N 2.7Å; F316-D318 VanDerWaalsContact C-N 3.28Å; F316-D318 PolarHBondContact O-N 2.87Å; D318-N321 PolarHBondContact O-N 2.82Å
319I97.8Very high96.5Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-65.2-46.8178.6-68.4164.3000111.3L142 M198 I201 F202 L205 F272 M315 F316 N321 W322 L323L142-I319 HydrophobicContact CD1-CD1 3.75Å; L142-I319 HydrophobicContact CD1-CG1 3.65Å; M198-I319 HydrophobicContact CB-CD1 3.67Å; M198-I319 HydrophobicContact CE-CD1 3.75Å; M198-I319 HydrophobicContact CG-CD1 3.88Å; M198-I319 WeakPolarHBondContact O-CD1 3.34Å; I201-I319 HydrophobicContact CG2-CD1 4.14Å; I201-I319 HydrophobicContact CG2-CG2 4.12Å; F202-I319 HydrophobicContact CB-CG1 3.94Å; F202-I319 HydrophobicContact CD2-CG1 4.09Å; F202-I319 HydrophobicContact CG-CG1 4.49Å; L205-I319 HydrophobicContact CD1-CG2 3.85Å; F272-I319 HydrophobicContact CE1-CG2 4.34Å; F272-I319 HydrophobicContact CE2-CD1 4.37Å; F272-I319 HydrophobicContact CE2-CG2 3.85Å; F272-I319 HydrophobicContact CZ-CG2 3.47Å; F272-I319 VanDerWaalsContact CZ-CG2 3.47Å; M315-I319 WeakPolarHBondContact O-CD1 3.37Å; M315-I319 VanDerWaalsContact O-CG1 3.29Å; M315-I319 WeakPolarHBondContact O-CG1 3.28Å; M315-I319 PolarHBondContact O-N 3.36Å; M315-I319 VanDerWaalsContact O-N 3.07Å; F316-I319 PolarHBondContact O-N 3.43Å; F316-I319 VanDerWaalsContact O-N 3.14Å; I319-N321 PolarHBondContact O-N 3.47Å; I319-W322 PolarHBondContact O-N 3.13Å; I319-L323 PolarHBondContact O-N 3.31Å
320F98.5Very high96.7Very high1 Ų120.4 Ų20.40%0.00411%0.108CC..Hα-helixtrans-61.1-32.3-179.3-73.3-9.8000112.4V258 I268 F272 R286 E290 F300 F316 T317 W322 L323V258-F320 HydrophobicContact CG1-CZ 3.96Å; V258-F320 HydrophobicContact CG2-CE2 4.11Å; V258-F320 HydrophobicContact CG2-CZ 4.27Å; I268-F320 HydrophobicContact CD1-CE1 3.86Å; I268-F320 HydrophobicContact CD1-CZ 4.35Å; I268-F320 HydrophobicContact CG1-CE1 3.93Å; I268-F320 HydrophobicContact CG1-CZ 4.2Å; F272-F320 HydrophobicContact CZ-CE1 4.11Å; R286-F320 WeakPolarHBondContact CD-O 3.19Å; R286-F320 PolarHBondContact NE-O 2.93Å; E290-F320 HydrophobicContact CB-CB 3.95Å; E290-F320 HydrophobicContact CB-CD1 4.2Å; E290-F320 HydrophobicContact CB-CD2 3.87Å; E290-F320 HydrophobicContact CB-CE2 4.39Å; E290-F320 HydrophobicContact CB-CG 3.76Å; E290-F320 HydrophobicContact CG-CD1 3.88Å; E290-F320 HydrophobicContact CG-CD2 4Å; E290-F320 HydrophobicContact CG-CE1 3.95Å; E290-F320 HydrophobicContact CG-CE2 4.06Å; E290-F320 HydrophobicContact CG-CG 3.91Å; E290-F320 HydrophobicContact CG-CZ 4.04Å; F300-F320 AromaticContact CD1-CE2 3.88Å; F300-F320 HydrophobicContact CD1-CE2 3.88Å; F300-F320 HydrophobicContact CD1-CZ 4.36Å; F300-F320 AromaticContact CE1-CE2 3.43Å; F300-F320 HydrophobicContact CE1-CE2 3.43Å; F300-F320 VanDerWaalsContact CE1-CE2 3.43Å; F300-F320 AromaticContact CE1-CZ 3.6Å; F300-F320 HydrophobicContact CE1-CZ 3.6Å; F300-F320 HydrophobicContact CZ-CE2 4.28Å; F300-F320 AromaticContact CZ-CZ 3.99Å; F300-F320 HydrophobicContact CZ-CZ 3.99Å; F316-F320 HydrophobicContact CB-CE2 4.46Å; F316-F320 HydrophobicContact CD1-CE1 4.16Å; F316-F320 HydrophobicContact CD1-CZ 4.13Å; F316-F320 WeakPolarHBondContact O-CB 3.4Å; F316-F320 VanDerWaalsContact O-CG 3.27Å; F316-F320 WeakPolarHBondContact O-CG 3.24Å; F316-F320 PolarHBondContact O-N 3.41Å; T317-F320 PolarHBondContact O-N 3.37Å; F320-W322 PolarHBondContact O-N 3.32Å; F320-L323 HydrophobicContact CB-CD1 4.43Å; F320-L323 HydrophobicContact CD1-CD1 3.78Å; F320-L323 HydrophobicContact CE1-CD1 4.5Å; F320-L323 HydrophobicContact CG-CD1 4.39Å; F320-L323 PolarHBondContact O-N 3.01Å
321N97.2Very high96.9Very high14 Ų1424.4 Ų24.48%0.07512%0.12CC..Hα-helixtrans-61.7-25.3173-69.5-20.3000113.4R286 T317 D318 I319 R356 N357 R358 Q359R286-N321 PolarHBondContact NH2-OD1 2.71Å; T317-N321 PolarHBondContact O-N 2.98Å; T317-N321 VanDerWaalsContact O-N 3.12Å; T317-N321 PolarHBondContact O-ND2 3.23Å; T317-N321 PolarHBondContact O-OD1 3.29Å; D318-N321 PolarHBondContact O-N 2.82Å; I319-N321 PolarHBondContact O-N 3.47Å; N321-R356 CarbonylContact O-C 3.52Å; N321-N357 WeakPolarHBondContact CB-OD1 3.41Å; N321-N357 WeakPolarHBondContact O-CA 3.27Å; N321-N357 PolarHBondContact O-N 3.09Å; N321-R358 PolarHBondContact OD1-O 2.89Å; N321-R358 VanDerWaalsContact OD1-O 3.08Å; N321-Q359 PolarHBondContact OD1-NE2 2.93Å
322W97.7Very high97.1Very high49 Ų4922.3 Ų22.319%0.18611%0.107CC..Hα-helixtrans-95.2-6.3-179.8-72.1110.9000115F202 L205 R206 I319 F320 R356 N357F202-W322 AromaticContact CD2-CD1 3.9Å; F202-W322 AromaticContact CE2-CD1 3.47Å; F202-W322 VanDerWaalsContact CE2-CD1 3.47Å; F202-W322 AromaticContact CE2-NE1 3.58Å; L205-W322 HydrophobicContact CB-CB 3.81Å; R206-W322 HydrophobicContact CB-CD2 4.41Å; R206-W322 HydrophobicContact CG-CD2 3.62Å; R206-W322 HydrophobicContact CG-CE3 4.19Å; R206-W322 HydrophobicContact CG-CG 3.83Å; R206-W322 HydrophobicContact CG-CH2 4.49Å; R206-W322 HydrophobicContact CG-CZ2 3.96Å; I319-W322 PolarHBondContact O-N 3.13Å; F320-W322 PolarHBondContact O-N 3.32Å; W322-R356 PolarHBondContact O-NE 3.34Å; W322-R356 PolarHBondContact O-NH2 3.07Å; W322-N357 HydrophobicContact CD2-CB 3.82Å; W322-N357 HydrophobicContact CE3-CB 3.93Å; W322-N357 HydrophobicContact CH2-CB 3.56Å; W322-N357 HydrophobicContact CZ2-CB 3.42Å; W322-N357 VanDerWaalsContact CZ2-CB 3.42Å; W322-N357 WeakPolarHBondContact CZ2-ND2 3.38Å; W322-N357 HydrophobicContact CZ3-CB 3.8Å; W322-N357 PolarHBondContact NE1-OD1 3.39Å
323L98.7Very high97.3Very high0 Ų022.2 Ų22.20%011%0.106CC..SBendtrans-58.4132175.7-75.3169.4000111L205 F257 L284 R286 E290 I319 F320 R356L205-L323 HydrophobicContact CD1-CD2 3.79Å; L205-L323 HydrophobicContact CD1-CG 4.23Å; L205-L323 HydrophobicContact CD2-CD2 4.28Å; F257-L323 HydrophobicContact CE2-CD1 4.09Å; L284-L323 HydrophobicContact CB-CD2 4.01Å; R286-L323 HydrophobicContact CB-CB 3.65Å; R286-L323 HydrophobicContact CB-CD1 4.42Å; R286-L323 HydrophobicContact CG-CB 4.05Å; R286-L323 HydrophobicContact CG-CD1 4.33Å; E290-L323 HydrophobicContact CB-CD1 3.96Å; E290-L323 HydrophobicContact CG-CD1 3.71Å; I319-L323 PolarHBondContact O-N 3.31Å; F320-L323 HydrophobicContact CB-CD1 4.43Å; F320-L323 HydrophobicContact CD1-CD1 3.78Å; F320-L323 HydrophobicContact CE1-CD1 4.5Å; F320-L323 HydrophobicContact CG-CD1 4.39Å; F320-L323 PolarHBondContact O-N 3.01Å; L323-R356 VanDerWaalsContact O-CD 3.3Å; L323-R356 WeakPolarHBondContact O-CD 3.33Å
324P98.7Very high97.5Very high1 Ų121.9 Ų21.91%0.00610%0.104CC..  trans-51.7146.4172.5-27.434000112.4L208 V212 S285 R286L208-P324 HydrophobicContact CB-CG 4.38Å; L208-P324 HydrophobicContact CD1-CG 3.64Å; V212-P324 HydrophobicContact CG2-CB 3.88Å; V212-P324 HydrophobicContact CG2-CG 3.79Å; S285-P324 CarbonylContact C-O 3.49Å; S285-P324 WeakPolarHBondContact CA-O 3.42Å; R286-P324 PolarHBondContact N-O 2.87Å
325L98.8Very high97.8Very high0 Ų018.3 Ų18.30%09%0.085CC..SBendtrans-87-29.3-179.9-58.2178.2000111.9S210 R286 V354 R356 M366 L369S210-L325 PolarHBondContact O-N 3.01Å; R286-L325 HydrophobicContact CB-CD2 4.29Å; L325-V354 HydrophobicContact CD1-CB 4.06Å; L325-V354 HydrophobicContact CD1-CG1 3.63Å; L325-R356 HydrophobicContact CD1-CB 4.14Å; L325-R356 HydrophobicContact CD2-CB 4.33Å; L325-R356 HydrophobicContact CG-CB 4.15Å; L325-M366 HydrophobicContact CD1-CB 4.2Å; L325-M366 HydrophobicContact CD1-CG 3.91Å; L325-M366 HydrophobicContact CD2-CE 4.31Å; L325-M366 HydrophobicContact CD2-CG 4Å; L325-L369 HydrophobicContact CB-CD1 3.98Å; L325-L369 HydrophobicContact CD1-CD1 4.18Å
326C98.8Very high98Very high0 Ų018.2 Ų18.20%08%0.084CC..EExtended strand (participates in β ladder)trans-147.5158.6-176.9-62.90000112.3S210 L211 V212 L334 V335 I351 L369S210-C326 PolarHBondContact O-N 3.2Å; S210-C326 VanDerWaalsContact O-N 3.17Å; L211-C326 WeakPolarHBondContact CA-O 3.39Å; L211-C326 HydrophobicContact CD1-CB 3.32Å; V212-C326 PolarHBondContact N-O 3.42Å; C326-L334 HydrophobicContact CB-CD1 3.89Å; C326-V335 CarbonylContact C-O 3.53Å; C326-V335 WeakPolarHBondContact CA-O 3.39Å; C326-V335 WeakPolarHBondContact CB-O 3.23Å; C326-I351 HydrophobicContact CB-CG2 4.26Å; C326-L369 VanDerWaalsContact SG-CD2 3.53Å
327H98.9Very high98.1Very high2 Ų218.1 Ų18.11%0.0098%0.084CC..EExtended strand (participates in β ladder)trans-126.7134.5168.5-65.278.6000110.1V212 I214 L252 Y283 L284 S285 V335V212-H327 CarbonylContact O-C 3.43Å; V212-H327 VanDerWaalsContact O-CA 3.26Å; V212-H327 WeakPolarHBondContact O-CA 3.49Å; I214-H327 HydrophobicContact CD1-CB 3.83Å; I214-H327 HydrophobicContact CG1-CB 4.37Å; L252-H327 WeakPolarHBondContact CD1-ND1 3.5Å; L252-H327 HydrophobicContact CD2-CB 3.82Å; Y283-H327 AromaticContact CD1-CD2 3.89Å; L284-H327 PolarHBondContact O-CE1 3.5Å; S285-H327 PolarHBondContact OG-CE1 2.97Å; S285-H327 PolarHBondContact OG-ND1 2.72Å; H327-V335 PolarHBondContact N-O 2.89Å; H327-V335 PolarHBondContact O-N 3.48Å
328L98.8Very high98.2Very high10 Ų1017 Ų175%0.0528%0.077CC..EExtended strand (participates in β ladder)trans-107.4106.1177.2-177.165.2000109.3L211 V212 I214 E331 L334 L348 L405L211-L328 HydrophobicContact CD1-CB 4.09Å; L211-L328 HydrophobicContact CG-CB 4.47Å; V212-L328 PolarHBondContact O-N 2.95Å; I214-L328 PolarHBondContact N-O 2.84Å; L328-E331 HydrophobicContact CD2-CB 4.45Å; L328-E331 HydrophobicContact CD2-CG 4.49Å; L328-L334 HydrophobicContact CD1-CB 4.45Å; L328-L334 HydrophobicContact CD1-CD1 4.44Å; L328-L348 HydrophobicContact CD1-CD1 4.27Å; L328-L348 HydrophobicContact CD2-CD1 3.91Å; L328-L405 HydrophobicContact CD1-CD2 3.56Å
329I98.6Very high98.4Very high0 Ų015 Ų150%07%0.067CC..EExtended strand (participates in β ladder)trans-87.9123.2-178.4-59.2170.7000109I214 V216 F222 V224 E331 R332 I333 V335 L449 M458I214-I329 HydrophobicContact CB-CG1 4.28Å; I214-I329 HydrophobicContact CD1-CG1 4.34Å; V216-I329 HydrophobicContact CG2-CG2 3.75Å; F222-I329 HydrophobicContact CD1-CD1 3.98Å; F222-I329 HydrophobicContact CE1-CD1 3.68Å; F222-I329 HydrophobicContact CE1-CG1 4.37Å; V224-I329 HydrophobicContact CG2-CD1 4.06Å; I329-E331 PolarHBondContact O-N 3.31Å; I329-R332 PolarHBondContact O-N 2.95Å; I329-I333 HydrophobicContact CB-CB 4.25Å; I329-I333 PolarHBondContact N-O 3.34Å; I329-I333 PolarHBondContact O-N 3.39Å; I329-V335 HydrophobicContact CD1-CG2 3.77Å; I329-V335 HydrophobicContact CG1-CG2 4.36Å; I329-L449 HydrophobicContact CD1-CD1 3.95Å; I329-M458 HydrophobicContact CG2-CE 3.78Å
330N98Very high98.4Very high22 Ų2215.1 Ų15.112%0.1187%0.067CC..THydrogen-bonded Turntrans49.329.3179.7-71.828.6000113.8I214 V216 R332 S452 M458I214-N330 PolarHBondContact O-N 3.28Å; I214-N330 PolarHBondContact O-OD1 3.48Å; V216-N330 WeakPolarHBondContact CA-OD1 3.41Å; V216-N330 WeakPolarHBondContact CB-OD1 3.26Å; V216-N330 PolarHBondContact N-OD1 2.93Å; V216-N330 PolarHBondContact O-ND2 3.3Å; V216-N330 PolarHBondContact O-OD1 3.39Å; N330-R332 WeakPolarHBondContact O-CG 3.47Å; N330-R332 PolarHBondContact O-N 3.48Å; N330-R332 VanDerWaalsContact O-N 3.09Å; N330-S452 PolarHBondContact ND2-O 3.39Å; N330-M458 HydrophobicContact CB-SD 3.71Å
331E97.3Very high98.4Very high146 Ų14615.2 Ų15.268%0.6827%0.068SC*.THydrogen-bonded Turntrans6015.9-175.3-54.5177.7177.800114.2L328 I329L328-E331 HydrophobicContact CD2-CB 4.45Å; L328-E331 HydrophobicContact CD2-CG 4.49Å; I329-E331 PolarHBondContact O-N 3.31Å
332R96.9Very high98.3Very high71 Ų7120.2 Ų20.227%0.2689%0.09SC..THydrogen-bonded Turntrans-123.4-36.4-172.4-69.3-53.2-165.7-175.8-0.2115I329 N330 G404 L405 D406 P455I329-R332 PolarHBondContact O-N 2.95Å; N330-R332 WeakPolarHBondContact O-CG 3.47Å; N330-R332 PolarHBondContact O-N 3.48Å; N330-R332 VanDerWaalsContact O-N 3.09Å; R332-G404 PolarHBondContact NH1-O 2.95Å; R332-L405 CarbonylContact O-C 3.58Å; R332-L405 VanDerWaalsContact O-CA 3.23Å; R332-L405 WeakPolarHBondContact O-CA 3.46Å; R332-L405 WeakPolarHBondContact O-CB 3.32Å; R332-L405 WeakPolarHBondContact O-CD2 2.97Å; R332-D406 PolarHBondContact O-N 3.26Å; R332-P455 VanDerWaalsContact NH2-CD 3.31Å
333I98.7Very high98.3Very high0 Ų023.1 Ų23.10%010%0.101CC..EExtended strand (participates in β ladder)trans-119.5116.7-173.3-59.6159.6000108.4I329 V335 Y407 I409 L449 M458I329-I333 HydrophobicContact CB-CB 4.25Å; I329-I333 PolarHBondContact N-O 3.34Å; I329-I333 PolarHBondContact O-N 3.39Å; I333-V335 HydrophobicContact CG2-CG2 4.33Å; I333-Y407 HydrophobicContact CB-CE2 4.33Å; I333-Y407 HydrophobicContact CD1-CE1 4.01Å; I333-Y407 HydrophobicContact CD1-CE2 3.99Å; I333-Y407 VanDerWaalsContact CD1-CZ 3.47Å; I333-Y407 WeakPolarHBondContact CD1-OH 3.21Å; I333-Y407 HydrophobicContact CG1-CD1 4.45Å; I333-Y407 HydrophobicContact CG1-CD2 4.35Å; I333-Y407 HydrophobicContact CG1-CE1 3.95Å; I333-Y407 HydrophobicContact CG1-CE2 3.83Å; I333-Y407 HydrophobicContact CG2-CD2 3.94Å; I333-Y407 HydrophobicContact CG2-CE2 3.54Å; I333-I409 HydrophobicContact CG2-CD1 3.75Å; I333-I409 HydrophobicContact CG2-CG1 3.85Å; I333-L449 HydrophobicContact CD1-CD1 3.97Å; I333-L449 HydrophobicContact CD1-CD2 4.4Å; I333-M458 HydrophobicContact CD1-CB 3.79Å; I333-M458 HydrophobicContact CD1-CE 4.33Å; I333-M458 HydrophobicContact CD1-SD 4.36Å
334L98.9Very high98.1Very high0 Ų025.9 Ų25.90%012%0.116CC..EExtended strand (participates in β ladder)trans-93.4127.6175.7-175.966.8000109.8L211 C326 L328 M336 L348 I351 F399 L405 Y407 I408 I409L211-L334 HydrophobicContact CD1-CD1 3.52Å; C326-L334 HydrophobicContact CB-CD1 3.89Å; L328-L334 HydrophobicContact CD1-CB 4.45Å; L328-L334 HydrophobicContact CD1-CD1 4.44Å; L334-M336 HydrophobicContact CD2-CE 3.39Å; L334-M336 HydrophobicContact CG-CE 3.77Å; L334-L348 HydrophobicContact CD1-CD2 3.98Å; L334-L348 HydrophobicContact CD2-CD2 3.8Å; L334-L348 HydrophobicContact CG-CD2 4.43Å; L334-I351 HydrophobicContact CD2-CD1 4.22Å; L334-F399 HydrophobicContact CD2-CE1 3.67Å; L334-F399 HydrophobicContact CD2-CZ 3.67Å; L334-L405 HydrophobicContact CB-CD1 3.69Å; L334-L405 HydrophobicContact CB-CD2 4.28Å; L334-L405 HydrophobicContact CD2-CD1 4.19Å; L334-Y407 PolarHBondContact N-O 3.33Å; L334-I408 HydrophobicContact CB-CG2 4.3Å; L334-I408 CarbonylContact O-C 3.56Å; L334-I408 VanDerWaalsContact O-CA 3.26Å; L334-I408 WeakPolarHBondContact O-CA 3.26Å; L334-I409 PolarHBondContact O-N 3.15Å
335V99Very high98Very high0 Ų030.5 Ų30.50%014%0.141CC..EExtended strand (participates in β ladder)trans-111.8123.1177.1-168.70000109.4V224 L252 N254 C326 H327 I329 I333 I409V224-V335 HydrophobicContact CG1-CG1 4.15Å; L252-V335 HydrophobicContact CD2-CB 3.83Å; L252-V335 HydrophobicContact CD2-CG1 3.73Å; L252-V335 HydrophobicContact CD2-CG2 3.9Å; N254-V335 HydrophobicContact CB-CG1 4.1Å; N254-V335 VanDerWaalsContact CG-CG1 3.48Å; C326-V335 CarbonylContact C-O 3.53Å; C326-V335 WeakPolarHBondContact CA-O 3.39Å; C326-V335 WeakPolarHBondContact CB-O 3.23Å; H327-V335 PolarHBondContact N-O 2.89Å; H327-V335 PolarHBondContact O-N 3.48Å; I329-V335 HydrophobicContact CD1-CG2 3.77Å; I329-V335 HydrophobicContact CG1-CG2 4.36Å; I333-V335 HydrophobicContact CG2-CG2 4.33Å; V335-I409 WeakPolarHBondContact CA-O 3.08Å; V335-I409 HydrophobicContact CG1-CB 4.17Å; V335-I409 HydrophobicContact CG1-CG2 4.29Å; V335-I409 HydrophobicContact CG2-CB 4.12Å; V335-I409 HydrophobicContact CG2-CD1 4.28Å
336M98.8Very high97.9Very high0 Ų030.5 Ų30.50%014%0.141CC..EExtended strand (participates in β ladder)trans-138.1158.8173.469-78.5-77.500109.8N254 L334 L340 L369 I408 I409 R410N254-M336 VanDerWaalsContact ND2-C 3.31Å; N254-M336 PolarHBondContact ND2-O 3.33Å; L334-M336 HydrophobicContact CD2-CE 3.39Å; L334-M336 HydrophobicContact CG-CE 3.77Å; M336-L340 HydrophobicContact CE-CD2 3.91Å; M336-L369 HydrophobicContact CB-CD2 3.87Å; M336-L369 HydrophobicContact CE-CD2 4.21Å; M336-L369 HydrophobicContact CG-CD2 4.14Å; M336-I408 HydrophobicContact CE-CG2 4.37Å; M336-I408 HydrophobicContact SD-CB 4.15Å; M336-I408 HydrophobicContact SD-CD1 4.26Å; M336-I409 PolarHBondContact N-O 3.32Å; M336-I409 VanDerWaalsContact N-O 3.08Å; M336-R410 WeakPolarHBondContact O-CA 3.07Å; M336-R410 HydrophobicContact SD-CB 4.5Å
337H98.9Very high97.9Very high0 Ų032.8 Ų32.80%016%0.155CC..SBendtrans-71.9-57.8-177.4179.571000113.3D227 N254 D256 R286 G287 N288 L370 S411 H412D227-H337 IonicContact OD1-CE1 3.43Å; D227-H337 PolarHBondContact OD1-CE1 2.93Å; D227-H337 IonicContact OD2-CE1 2.83Å; N254-H337 PolarHBondContact O-ND1 3.44Å; D256-H337 IonicContact OD1-CD2 2.72Å; D256-H337 IonicContact OD1-CE1 3.72Å; D256-H337 PolarHBondContact OD1-CE1 2.78Å; D256-H337 IonicContact OD1-NE2 3.42Å; D256-H337 PolarHBondContact OD1-NE2 3.09Å; D256-H337 IonicContact OD2-CE1 2.65Å; D256-H337 PolarHBondContact OD2-CE1 3.11Å; D256-H337 IonicContact OD2-NE2 2.78Å; D256-H337 PolarHBondContact OD2-NE2 2.95Å; R286-H337 WeakPolarHBondContact O-CB 3.39Å; G287-H337 VanDerWaalsContact CA-CG 3.45Å; N288-H337 PolarHBondContact OD1-NE2 3.34Å; H337-L370 HydrophobicContact CB-CD2 4.26Å; H337-L370 PolarHBondContact CD2-O 3.42Å; H337-S411 CarbonylContact O-C 3.02Å; H337-S411 PolarHBondContact O-N 3.34Å; H337-H412 AromaticContact CD2-CG 3.97Å; H337-H412 AromaticContact CD2-ND1 3.71Å; H337-H412 WeakPolarHBondContact NE2-CB 3.37Å; H337-H412 AromaticContact NE2-CG 3.52Å; H337-H412 AromaticContact NE2-ND1 3.05Å; H337-H412 PolarHBondContact NE2-ND1 3.42Å
338G98.6Very high97.9Very high0 Ų034 Ų340%016%0.161CC..SBendtrans-80.4-96.5179.600000111.9L369 S372 R410G338-L369 VanDerWaalsContact CA-O 3.3Å; G338-L369 WeakPolarHBondContact CA-O 3.36Å; G338-L369 PolarHBondContact N-O 3.27Å; G338-S372 CarbonylContact C-O 3.47Å; G338-R410 VanDerWaalsContact O-CB 3.24Å; G338-R410 WeakPolarHBondContact O-CB 3.3Å; G338-R410 VanDerWaalsContact O-CZ 3.32Å; G338-R410 PolarHBondContact O-NE 3.27Å; G338-R410 PolarHBondContact O-NH2 3.03Å; G338-R410 VanDerWaalsContact O-NH2 3.13Å
339G98.2Very high97.9Very high0 Ų038.4 Ų38.40%019%0.185CC..  trans-174.3-143.2-176.900000115E368 S372G339-E368 PolarHBondContact N-O 3.03Å; G339-S372 PolarHBondContact N-O 3.46Å
340L98.4Very high97.8Very high1 Ų141.4 Ų41.41%0.00520%0.199CC..  trans-93-175.5-174.3-58-175.9000112.4M336 S372 F391 V395 T396 F399 I408M336-L340 HydrophobicContact CE-CD2 3.91Å; L340-S372 WeakPolarHBondContact O-CB 3.12Å; L340-S372 PolarHBondContact O-OG 3.28Å; L340-F391 HydrophobicContact CB-CB 4.49Å; L340-F391 HydrophobicContact CB-CD1 3.94Å; L340-F391 HydrophobicContact CB-CD2 3.94Å; L340-F391 HydrophobicContact CB-CE1 4.14Å; L340-F391 HydrophobicContact CB-CE2 4.11Å; L340-F391 HydrophobicContact CB-CG 3.85Å; L340-F391 HydrophobicContact CB-CZ 4.22Å; L340-F391 HydrophobicContact CD1-CD2 3.83Å; L340-F391 HydrophobicContact CD1-CE2 3.83Å; L340-F391 HydrophobicContact CG-CD2 4.03Å; L340-F391 HydrophobicContact CG-CE1 4.46Å; L340-F391 HydrophobicContact CG-CE2 3.81Å; L340-F391 HydrophobicContact CG-CG 4.44Å; L340-F391 HydrophobicContact CG-CZ 4.05Å; L340-V395 HydrophobicContact CD1-CG1 4.32Å; L340-T396 HydrophobicContact CD1-CG2 4.39Å; L340-F399 HydrophobicContact CD1-CB 4.06Å; L340-F399 HydrophobicContact CD1-CD1 4.29Å; L340-F399 HydrophobicContact CD1-CG 4.27Å; L340-F399 HydrophobicContact CD2-CD1 3.67Å; L340-F399 HydrophobicContact CD2-CD2 4.45Å; L340-F399 HydrophobicContact CD2-CE1 3.85Å; L340-F399 HydrophobicContact CD2-CG 3.99Å; L340-F399 HydrophobicContact CD2-CZ 4.32Å; L340-I408 HydrophobicContact CD1-CD1 4.01Å; L340-I408 HydrophobicContact CD2-CD1 3.89Å; L340-I408 HydrophobicContact CG-CD1 3.79Å
341F98.1Very high97.8Very high4 Ų440.4 Ų40.42%0.01819%0.193CC..  trans-108.2149.9-158.3-46.3-75.6000112.1R343 V346 I351 I365 E368 L369 R380 F399F341-R343 PolarHBondContact O-N 3.23Å; F341-V346 HydrophobicContact CB-CG2 3.78Å; F341-V346 HydrophobicContact CD1-CG1 4.3Å; F341-V346 HydrophobicContact CD1-CG2 4.2Å; F341-V346 HydrophobicContact CD2-CB 3.45Å; F341-V346 VanDerWaalsContact CD2-CB 3.45Å; F341-V346 HydrophobicContact CD2-CG1 3.7Å; F341-V346 HydrophobicContact CD2-CG2 3.63Å; F341-V346 HydrophobicContact CE1-CG1 4.09Å; F341-V346 HydrophobicContact CE2-CB 3.71Å; F341-V346 HydrophobicContact CE2-CG1 3.45Å; F341-V346 VanDerWaalsContact CE2-CG1 3.45Å; F341-V346 HydrophobicContact CE2-CG2 4.29Å; F341-V346 HydrophobicContact CG-CB 3.94Å; F341-V346 HydrophobicContact CG-CG1 4.12Å; F341-V346 HydrophobicContact CG-CG2 3.57Å; F341-V346 HydrophobicContact CZ-CB 4.37Å; F341-V346 HydrophobicContact CZ-CG1 3.66Å; F341-I351 HydrophobicContact CE2-CD1 4.43Å; F341-I351 HydrophobicContact CZ-CD1 3.88Å; F341-I351 HydrophobicContact CZ-CG1 4.23Å; F341-I365 HydrophobicContact CD1-CB 4.34Å; F341-I365 HydrophobicContact CD1-CG1 4.01Å; F341-I365 HydrophobicContact CD1-CG2 4.22Å; F341-I365 HydrophobicContact CE1-CB 4.18Å; F341-I365 HydrophobicContact CE1-CG1 4.21Å; F341-I365 HydrophobicContact CE1-CG2 3.58Å; F341-I365 HydrophobicContact CZ-CG2 4.29Å; F341-E368 WeakPolarHBondContact CA-OE2 3.35Å; F341-E368 WeakPolarHBondContact CB-OE2 3.42Å; F341-E368 HydrophobicContact CD1-CB 3.98Å; F341-E368 VanDerWaalsContact CD1-OE2 3.3Å; F341-E368 WeakPolarHBondContact CD1-OE2 3.38Å; F341-L369 HydrophobicContact CE1-CD2 3.77Å; F341-L369 HydrophobicContact CE1-CG 3.78Å; F341-L369 HydrophobicContact CZ-CD2 3.61Å; F341-L369 HydrophobicContact CZ-CG 4.11Å; F341-R380 PolarHBondContact O-NE 3.17Å; F341-R380 PolarHBondContact O-NH2 3.43Å; F341-F399 HydrophobicContact CD2-CD2 4.39Å; F341-F399 HydrophobicContact CD2-CE2 4.25Å; F341-F399 HydrophobicContact CE2-CD2 4.17Å; F341-F399 AromaticContact CE2-CE2 3.62Å; F341-F399 HydrophobicContact CE2-CE2 3.62Å; F341-F399 HydrophobicContact CE2-CZ 4.1Å
342E96.4Very high97.8Very high119 Ų11937.7 Ų37.756%0.55618%0.179SC*.SBendtrans-63.4-30.7173.1-174.6175.3-16000111.6E368 R380 C389E342-E368 WeakPolarHBondContact CB-OE1 3.41Å; E342-E368 PolarHBondContact N-OE1 2.8Å; E342-R380 WeakPolarHBondContact O-CD 3.46Å; E342-R380 PolarHBondContact O-NE 3.48Å; E342-C389 HydrophobicContact CB-CB 4.25Å; E342-C389 PolarHBondContact N-SG 2.88Å
343R95.9Very high97.8Very high110 Ų11042.3 Ų42.342%0.41520%0.202SC..SBendtrans-98.6150.9177.774.9-180-169.484.8-16.8113.1F341 V346 E350 R380F341-R343 PolarHBondContact O-N 3.23Å; R343-V346 HydrophobicContact CG-CG2 3.78Å; R343-E350 IonicContact CZ-OE1 2.62Å; R343-E350 IonicContact CZ-OE2 3.53Å; R343-E350 IonicContact NH1-OE2 3.52Å; R343-E350 IonicContact NH2-OE1 3.25Å; R343-E350 PolarHBondContact NH2-OE1 2.95Å; R343-E350 IonicContact NH2-OE2 2.71Å; R343-E350 PolarHBondContact NH2-OE2 3.44Å; R343-R380 PolarHBondContact O-NH2 2.95Å
344D95.6Very high97.7Very high58 Ų5843.4 Ų43.431%0.3121%0.208SC..SBendtrans-72.7167.6168.3-75.6-19.7000112V346 R380 K398D344-V346 VanDerWaalsContact C-N 3.27Å; D344-V346 PolarHBondContact O-N 3.34Å; D344-R380 IonicContact OD1-CZ 3.96Å; D344-R380 VanDerWaalsContact OD1-CZ 3.25Å; D344-R380 IonicContact OD1-NH1 2.86Å; D344-R380 PolarHBondContact OD1-NH1 3.05Å; D344-R380 IonicContact OD1-NH2 3.75Å; D344-R380 PolarHBondContact OD1-NH2 3.27Å; D344-K398 VanDerWaalsContact CG-NZ 3.32Å; D344-K398 IonicContact OD1-NZ 2.71Å; D344-K398 IonicContact OD2-NZ 3.31Å; D344-K398 PolarHBondContact OD2-NZ 3.25Å
345N95.7Very high97.6Very high97 Ų9747.6 Ų47.652%0.51924%0.237SC..  trans65.520.2168.6-46.9-45.9000115.8T347 Q402N345-T347 PolarHBondContact O-N 3.26Å; N345-Q402 PolarHBondContact O-NE2 3.19Å; N345-Q402 PolarHBondContact OD1-OE1 3.26Å
346V98.1Very high97.5Very high1 Ų148.2 Ų48.21%0.00624%0.24CC..  trans-65.2132166.7-1800000109.3F341 R343 D344 I351 I365 F399 N403F341-V346 HydrophobicContact CB-CG2 3.78Å; F341-V346 HydrophobicContact CD1-CG1 4.3Å; F341-V346 HydrophobicContact CD1-CG2 4.2Å; F341-V346 HydrophobicContact CD2-CB 3.45Å; F341-V346 VanDerWaalsContact CD2-CB 3.45Å; F341-V346 HydrophobicContact CD2-CG1 3.7Å; F341-V346 HydrophobicContact CD2-CG2 3.63Å; F341-V346 HydrophobicContact CE1-CG1 4.09Å; F341-V346 HydrophobicContact CE2-CB 3.71Å; F341-V346 HydrophobicContact CE2-CG1 3.45Å; F341-V346 VanDerWaalsContact CE2-CG1 3.45Å; F341-V346 HydrophobicContact CE2-CG2 4.29Å; F341-V346 HydrophobicContact CG-CB 3.94Å; F341-V346 HydrophobicContact CG-CG1 4.12Å; F341-V346 HydrophobicContact CG-CG2 3.57Å; F341-V346 HydrophobicContact CZ-CB 4.37Å; F341-V346 HydrophobicContact CZ-CG1 3.66Å; R343-V346 HydrophobicContact CG-CG2 3.78Å; D344-V346 VanDerWaalsContact C-N 3.27Å; D344-V346 PolarHBondContact O-N 3.34Å; V346-I351 HydrophobicContact CG1-CG1 4.23Å; V346-I365 HydrophobicContact CG1-CD1 3.78Å; V346-I365 HydrophobicContact CG1-CG1 4.4Å; V346-I365 HydrophobicContact CG2-CD1 4.02Å; V346-I365 HydrophobicContact CG2-CG1 4.34Å; V346-F399 WeakPolarHBondContact O-CE2 3.39Å; V346-N403 PolarHBondContact O-ND2 2.79Å
347T98.3Very high97.3Very high48 Ų4851.4 Ų51.429%0.29426%0.257SS..  trans-110.9158.4-178.162.90000112N345 D349 E350 I351 N403N345-T347 PolarHBondContact O-N 3.26Å; T347-D349 PolarHBondContact O-N 3.17Å; T347-E350 WeakPolarHBondContact O-CB 3.46Å; T347-E350 PolarHBondContact O-N 3.49Å; T347-E350 VanDerWaalsContact O-N 3.09Å; T347-E350 PolarHBondContact OG1-N 3.43Å; T347-I351 PolarHBondContact O-N 3Å; T347-I351 VanDerWaalsContact O-N 3.17Å; T347-N403 VanDerWaalsContact CA-OD1 3.3Å; T347-N403 WeakPolarHBondContact CA-OD1 3.36Å
348L98.5Very high97.1Very high27 Ų2755.9 Ų55.914%0.14127%0.274CS..Hα-helixtrans-56.2-38.1170.6-61179.5000112.2L211 L328 L334 E350 I351 K352 N403 L405L211-L348 HydrophobicContact CD2-CB 3.92Å; L211-L348 HydrophobicContact CD2-CD2 4.25Å; L328-L348 HydrophobicContact CD1-CD1 4.27Å; L328-L348 HydrophobicContact CD2-CD1 3.91Å; L334-L348 HydrophobicContact CD1-CD2 3.98Å; L334-L348 HydrophobicContact CD2-CD2 3.8Å; L334-L348 HydrophobicContact CG-CD2 4.43Å; L348-E350 VanDerWaalsContact C-N 3.28Å; L348-E350 PolarHBondContact O-N 3.22Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 2.76Å; L348-K352 WeakPolarHBondContact O-CB 3.29Å; L348-K352 PolarHBondContact O-N 2.87Å; L348-N403 HydrophobicContact CD1-CB 4.22Å; L348-N403 HydrophobicContact CD2-CB 4.47Å; L348-N403 HydrophobicContact CG-CB 3.98Å; L348-N403 PolarHBondContact N-OD1 2.91Å; L348-L405 HydrophobicContact CD1-CD2 4.36Å
349D98.1Very high96.9Very high103 Ų10358.1 Ų58.155%0.55128%0.284SS*.Hα-helixtrans-62-35.3176.1-84.3-17.4000113T347 K353T347-D349 PolarHBondContact O-N 3.17Å; D349-K353 WeakPolarHBondContact O-CD 3.16Å; D349-K353 VanDerWaalsContact O-CG 3.28Å; D349-K353 WeakPolarHBondContact O-CG 3.27Å; D349-K353 PolarHBondContact O-N 3.3Å
350E97.9Very high96.7Very high63 Ų6359.1 Ų59.129%0.29429%0.291SS..Hα-helixtrans-69.3-45175.9-175.1171.2-175.100111.1R343 T347 L348 K352 K353 V354 I365R343-E350 IonicContact CZ-OE1 2.62Å; R343-E350 IonicContact CZ-OE2 3.53Å; R343-E350 IonicContact NH1-OE2 3.52Å; R343-E350 IonicContact NH2-OE1 3.25Å; R343-E350 PolarHBondContact NH2-OE1 2.95Å; R343-E350 IonicContact NH2-OE2 2.71Å; R343-E350 PolarHBondContact NH2-OE2 3.44Å; T347-E350 WeakPolarHBondContact O-CB 3.46Å; T347-E350 PolarHBondContact O-N 3.49Å; T347-E350 VanDerWaalsContact O-N 3.09Å; T347-E350 PolarHBondContact OG1-N 3.43Å; L348-E350 VanDerWaalsContact C-N 3.28Å; L348-E350 PolarHBondContact O-N 3.22Å; E350-K352 VanDerWaalsContact C-N 3.29Å; E350-K352 PolarHBondContact O-N 2.97Å; E350-K353 PolarHBondContact O-N 3.44Å; E350-K353 VanDerWaalsContact O-N 3.12Å; E350-V354 PolarHBondContact O-N 3.49Å; E350-I365 HydrophobicContact CG-CD1 3.68Å; E350-I365 WeakPolarHBondContact OE1-CD1 3.36Å
351I98.2Very high96.4Very high0 Ų062.9 Ų62.90%031%0.311CS..Hα-helixtrans-57.5-44.6175.1-61.2170.6000110.3L211 C326 L334 F341 V346 T347 L348 K353 V354 I365 L369 F399L211-I351 HydrophobicContact CB-CG2 4.17Å; C326-I351 HydrophobicContact CB-CG2 4.26Å; L334-I351 HydrophobicContact CD2-CD1 4.22Å; F341-I351 HydrophobicContact CE2-CD1 4.43Å; F341-I351 HydrophobicContact CZ-CD1 3.88Å; F341-I351 HydrophobicContact CZ-CG1 4.23Å; V346-I351 HydrophobicContact CG1-CG1 4.23Å; T347-I351 PolarHBondContact O-N 3Å; T347-I351 VanDerWaalsContact O-N 3.17Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 2.76Å; I351-K353 PolarHBondContact O-N 3.42Å; I351-V354 WeakPolarHBondContact O-CB 3.25Å; I351-V354 WeakPolarHBondContact O-CG2 3.48Å; I351-V354 PolarHBondContact O-N 3.43Å; I351-I365 HydrophobicContact CG1-CG2 4.33Å; I351-L369 HydrophobicContact CD1-CD2 4.5Å; I351-L369 HydrophobicContact CG2-CD1 3.95Å; I351-F399 HydrophobicContact CD1-CZ 4.48Å
352K97.4Very high96Very high90 Ų9068 Ų6839%0.39134%0.335SS..Hα-helixtrans-60.6-29179.6-165.7164.9-171.8155.40113.2P209 L211 D213 L348 E350P209-K352 HydrophobicContact CB-CG 4.47Å; L211-K352 HydrophobicContact CB-CB 4.12Å; L211-K352 HydrophobicContact CB-CG 4.4Å; D213-K352 IonicContact OD2-NZ 2.62Å; D213-K352 PolarHBondContact OD2-NZ 3.38Å; D213-K352 VanDerWaalsContact OD2-NZ 3.08Å; L348-K352 WeakPolarHBondContact O-CB 3.29Å; L348-K352 PolarHBondContact O-N 2.87Å; E350-K352 VanDerWaalsContact C-N 3.29Å; E350-K352 PolarHBondContact O-N 2.97Å
353K96.7Very high95.6Very high168 Ų16865.7 Ų65.773%0.7334%0.343SS*.THydrogen-bonded Turntrans-90.3-4.2-178.4-70.9169.3-173.3166.20114.3D349 E350 I351 S355D349-K353 WeakPolarHBondContact O-CD 3.16Å; D349-K353 VanDerWaalsContact O-CG 3.28Å; D349-K353 WeakPolarHBondContact O-CG 3.27Å; D349-K353 PolarHBondContact O-N 3.3Å; E350-K353 PolarHBondContact O-N 3.44Å; E350-K353 VanDerWaalsContact O-N 3.12Å; I351-K353 PolarHBondContact O-N 3.42Å; K353-S355 PolarHBondContact O-N 3.06Å
354V97.2Very high95.6Very high22 Ų2262 Ų6213%0.13333%0.333CS..  trans-61.2124.2177.9174.50000110.1S210 L325 E350 I351 R356 I365 M366S210-V354 PolarHBondContact OG-O 3.33Å; L325-V354 HydrophobicContact CD1-CB 4.06Å; L325-V354 HydrophobicContact CD1-CG1 3.63Å; E350-V354 PolarHBondContact O-N 3.49Å; I351-V354 WeakPolarHBondContact O-CB 3.25Å; I351-V354 WeakPolarHBondContact O-CG2 3.48Å; I351-V354 PolarHBondContact O-N 3.43Å; V354-R356 PolarHBondContact O-N 3.43Å; V354-R356 VanDerWaalsContact O-N 3.14Å; V354-I365 HydrophobicContact CG2-CG2 4.1Å; V354-M366 HydrophobicContact CG1-CB 4.06Å
355S95.6Very high95.6Very high89 Ų8960 Ų6062%0.62232%0.322SS*.  trans-73.7100.7167.4-1750000109.2K353 R358K353-S355 PolarHBondContact O-N 3.06Å; S355-R358 PolarHBondContact O-NE 2.65Å
356R96.1Very high95.7Very high13 Ų1355.5 Ų55.55%0.04930%0.298CS..  trans-88.4-16.7-169.268.1-178.8-176.9-75-7.3115.1L205 L208 S210 R286 N321 W322 L323 L325 V354 R358L205-R356 PolarHBondContact O-NH2 3.08Å; L208-R356 PolarHBondContact O-NH1 3.16Å; L208-R356 PolarHBondContact O-NH2 3.22Å; S210-R356 WeakPolarHBondContact OG-CD 3.48Å; S210-R356 PolarHBondContact OG-NH1 3Å; S210-R356 VanDerWaalsContact OG-NH1 3.14Å; R286-R356 PolarHBondContact NH1-O 3.47Å; N321-R356 CarbonylContact O-C 3.52Å; W322-R356 PolarHBondContact O-NE 3.34Å; W322-R356 PolarHBondContact O-NH2 3.07Å; L323-R356 VanDerWaalsContact O-CD 3.3Å; L323-R356 WeakPolarHBondContact O-CD 3.33Å; L325-R356 HydrophobicContact CD1-CB 4.14Å; L325-R356 HydrophobicContact CD2-CB 4.33Å; L325-R356 HydrophobicContact CG-CB 4.15Å; V354-R356 PolarHBondContact O-N 3.43Å; V354-R356 VanDerWaalsContact O-N 3.14Å; R356-R358 PolarHBondContact O-N 2.9Å
357N95.2Very high95.7Very high66 Ų6655.5 Ų55.535%0.35330%0.298SS..SBendtrans-72.167-177.9-177.430000112.8N321 W322N321-N357 WeakPolarHBondContact CB-OD1 3.41Å; N321-N357 WeakPolarHBondContact O-CA 3.27Å; N321-N357 PolarHBondContact O-N 3.09Å; W322-N357 HydrophobicContact CD2-CB 3.82Å; W322-N357 HydrophobicContact CE3-CB 3.93Å; W322-N357 HydrophobicContact CH2-CB 3.56Å; W322-N357 HydrophobicContact CZ2-CB 3.42Å; W322-N357 VanDerWaalsContact CZ2-CB 3.42Å; W322-N357 WeakPolarHBondContact CZ2-ND2 3.38Å; W322-N357 HydrophobicContact CZ3-CB 3.8Å; W322-N357 PolarHBondContact NE1-OD1 3.39Å
358R94.3Very high95.7Very high94 Ų9453.8 Ų53.836%0.35529%0.287SS..SBendtrans-166.4173.2-178.956.9-178.2-170169.98.5109.8R286 N321 S355 R356 D361 M366R286-R358 PolarHBondContact NH1-O 3.31Å; R286-R358 PolarHBondContact NH2-O 2.86Å; N321-R358 PolarHBondContact OD1-O 2.89Å; N321-R358 VanDerWaalsContact OD1-O 3.08Å; S355-R358 PolarHBondContact O-NE 2.65Å; R356-R358 PolarHBondContact O-N 2.9Å; R358-D361 IonicContact CZ-OD2 3.59Å; R358-D361 IonicContact NH1-OD2 3.53Å; R358-M366 HydrophobicContact CG-CE 4.5Å; R358-M366 HydrophobicContact CG-SD 4.09Å; R358-M366 WeakPolarHBondContact O-CE 3.39Å
359Q94.7Very high95.7Very high47 Ų4752.5 Ų52.522%0.2228%0.28CS..  trans-71.6150.8166.3-61-55.3-48.500110.3N321 D361N321-Q359 PolarHBondContact OD1-NE2 2.93Å; Q359-D361 PolarHBondContact O-N 3.05Å; Q359-D361 VanDerWaalsContact O-N 3.08Å
360P94.8Very high95.8Very high22 Ų2247.6 Ų47.614%0.14325%0.254CS..  trans-73.299.4178.628.5-33.1000111.3M366 C367 L370P360-M366 HydrophobicContact CB-CE 4.11Å; P360-M366 HydrophobicContact CB-CG 4.39Å; P360-C367 HydrophobicContact CB-CB 4.49Å; P360-L370 HydrophobicContact CB-CD1 3.93Å; P360-L370 HydrophobicContact CG-CD1 4.24Å
361D91.4Very high95.8Very high79 Ų7946 Ų4642%0.42225%0.245SC..  trans-75.3136.9178.9-56.6-46.4000112R358 Q359 T364 C367R358-D361 IonicContact CZ-OD2 3.59Å; R358-D361 IonicContact NH1-OD2 3.53Å; Q359-D361 PolarHBondContact O-N 3.05Å; Q359-D361 VanDerWaalsContact O-N 3.08Å; D361-T364 HydrophobicContact CB-CG2 4.11Å; D361-T364 WeakPolarHBondContact O-CB 3.17Å; D361-T364 WeakPolarHBondContact O-CG2 3.46Å; D361-T364 PolarHBondContact O-N 3.37Å; D361-T364 PolarHBondContact O-OG1 2.87Å; D361-C367 WeakPolarHBondContact O-CB 3.44Å
362E89.1Confident95.8Very high111 Ų11146 Ų4652%0.51925%0.245SC..THydrogen-bonded Turntrans-52.5148.4176.7-65.9-178.8-164.400112.7Q92 T364 V387Q92-E362 PolarHBondContact NE2-OE1 3.22Å; E362-T364 PolarHBondContact O-N 3.47Å; E362-V387 HydrophobicContact CG-CG2 4.09Å
363G88.5Confident95.8Very high72 Ų7241.7 Ų41.774%0.74223%0.226SC*.THydrogen-bonded Turntrans719.4178.700000114.8
364T95.9Very high95.9Very high32 Ų3234.2 Ų34.220%0.19620%0.195CC..SBendtrans-104.9151.1174.771.90000111.5D361 E362 M366 C367 E368D361-T364 HydrophobicContact CB-CG2 4.11Å; D361-T364 WeakPolarHBondContact O-CB 3.17Å; D361-T364 WeakPolarHBondContact O-CG2 3.46Å; D361-T364 PolarHBondContact O-N 3.37Å; D361-T364 PolarHBondContact O-OG1 2.87Å; E362-T364 PolarHBondContact O-N 3.47Å; T364-M366 PolarHBondContact O-N 3.46Å; T364-C367 WeakPolarHBondContact O-CA 3.44Å; T364-C367 WeakPolarHBondContact O-CB 3.45Å; T364-C367 PolarHBondContact O-N 2.87Å; T364-C367 PolarHBondContact OG1-N 3.5Å; T364-E368 PolarHBondContact O-N 3.46Å; T364-E368 VanDerWaalsContact O-N 3.09Å
365I96.8Very high95.9Very high17 Ų1734.5 Ų34.59%0.08720%0.195CC..Hα-helixtrans-51.1-39.8172-77.1173.1000111.6F341 V346 E350 I351 V354 C367 E368 L369F341-I365 HydrophobicContact CD1-CB 4.34Å; F341-I365 HydrophobicContact CD1-CG1 4.01Å; F341-I365 HydrophobicContact CD1-CG2 4.22Å; F341-I365 HydrophobicContact CE1-CB 4.18Å; F341-I365 HydrophobicContact CE1-CG1 4.21Å; F341-I365 HydrophobicContact CE1-CG2 3.58Å; F341-I365 HydrophobicContact CZ-CG2 4.29Å; V346-I365 HydrophobicContact CG1-CD1 3.78Å; V346-I365 HydrophobicContact CG1-CG1 4.4Å; V346-I365 HydrophobicContact CG2-CD1 4.02Å; V346-I365 HydrophobicContact CG2-CG1 4.34Å; E350-I365 HydrophobicContact CG-CD1 3.68Å; E350-I365 WeakPolarHBondContact OE1-CD1 3.36Å; I351-I365 HydrophobicContact CG1-CG2 4.33Å; V354-I365 HydrophobicContact CG2-CG2 4.1Å; I365-C367 VanDerWaalsContact C-N 3.3Å; I365-C367 PolarHBondContact O-N 3.44Å; I365-E368 PolarHBondContact O-N 2.89Å; I365-L369 HydrophobicContact CG2-CD1 3.97Å; I365-L369 HydrophobicContact CG2-CG 4.36Å; I365-L369 WeakPolarHBondContact O-CB 3.28Å; I365-L369 VanDerWaalsContact O-CG 3.25Å; I365-L369 WeakPolarHBondContact O-CG 3.39Å; I365-L369 PolarHBondContact O-N 2.85Å
366M97.9Very high96Very high1 Ų139.4 Ų39.41%0.00521%0.208CC..Hα-helixtrans-59.4-41.9177179.4178.3170.300112L325 V354 R358 P360 T364 L370L325-M366 HydrophobicContact CD1-CB 4.2Å; L325-M366 HydrophobicContact CD1-CG 3.91Å; L325-M366 HydrophobicContact CD2-CE 4.31Å; L325-M366 HydrophobicContact CD2-CG 4Å; V354-M366 HydrophobicContact CG1-CB 4.06Å; R358-M366 HydrophobicContact CG-CE 4.5Å; R358-M366 HydrophobicContact CG-SD 4.09Å; R358-M366 WeakPolarHBondContact O-CE 3.39Å; P360-M366 HydrophobicContact CB-CE 4.11Å; P360-M366 HydrophobicContact CB-CG 4.39Å; T364-M366 PolarHBondContact O-N 3.46Å; M366-L370 VanDerWaalsContact O-CG 3.27Å; M366-L370 WeakPolarHBondContact O-CG 3.45Å
367C97.7Very high96.1Very high1 Ų141.7 Ų41.71%0.00723%0.23CC..Hα-helixtrans-67.9-46.3178.3-174.80000111P360 D361 T364 I365 L369 L370 W371 V387P360-C367 HydrophobicContact CB-CB 4.49Å; D361-C367 WeakPolarHBondContact O-CB 3.44Å; T364-C367 WeakPolarHBondContact O-CA 3.44Å; T364-C367 WeakPolarHBondContact O-CB 3.45Å; T364-C367 PolarHBondContact O-N 2.87Å; T364-C367 PolarHBondContact OG1-N 3.5Å; I365-C367 VanDerWaalsContact C-N 3.3Å; I365-C367 PolarHBondContact O-N 3.44Å; C367-L369 VanDerWaalsContact C-N 3.34Å; C367-L369 PolarHBondContact O-N 3.43Å; C367-L370 CarbonylContact O-C 2.97Å; C367-L370 PolarHBondContact O-N 2.95Å; C367-W371 WeakPolarHBondContact O-CB 3.46Å; C367-W371 VanDerWaalsContact O-CD1 3.27Å; C367-W371 PolarHBondContact O-N 2.96Å; C367-V387 WeakPolarHBondContact SG-CG2 3.32Å
368E98.3Very high96.2Very high12 Ų1245.9 Ų45.96%0.05625%0.247CC..Hα-helixtrans-62-39.4179.2-63.8176.2139.600112.6G339 F341 E342 T364 I365 L370 W371 S372G339-E368 PolarHBondContact N-O 3.03Å; F341-E368 WeakPolarHBondContact CA-OE2 3.35Å; F341-E368 WeakPolarHBondContact CB-OE2 3.42Å; F341-E368 HydrophobicContact CD1-CB 3.98Å; F341-E368 VanDerWaalsContact CD1-OE2 3.3Å; F341-E368 WeakPolarHBondContact CD1-OE2 3.38Å; E342-E368 WeakPolarHBondContact CB-OE1 3.41Å; E342-E368 PolarHBondContact N-OE1 2.8Å; T364-E368 PolarHBondContact O-N 3.46Å; T364-E368 VanDerWaalsContact O-N 3.09Å; I365-E368 PolarHBondContact O-N 2.89Å; E368-L370 PolarHBondContact O-N 2.73Å; E368-L370 VanDerWaalsContact O-N 3.1Å; E368-W371 PolarHBondContact O-N 3.03Å; E368-S372 WeakPolarHBondContact CA-OG 3.45Å; E368-S372 WeakPolarHBondContact CB-OG 3.49Å; E368-S372 VanDerWaalsContact O-CB 3.3Å; E368-S372 WeakPolarHBondContact O-CB 3.33Å; E368-S372 PolarHBondContact O-N 3.43Å; E368-S372 PolarHBondContact O-OG 3Å
369L98.6Very high96.4Very high0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-58-23.3173-77.1172.1000113.7L325 C326 M336 G338 F341 I351 I365 C367L325-L369 HydrophobicContact CB-CD1 3.98Å; L325-L369 HydrophobicContact CD1-CD1 4.18Å; C326-L369 VanDerWaalsContact SG-CD2 3.53Å; M336-L369 HydrophobicContact CB-CD2 3.87Å; M336-L369 HydrophobicContact CE-CD2 4.21Å; M336-L369 HydrophobicContact CG-CD2 4.14Å; G338-L369 VanDerWaalsContact CA-O 3.3Å; G338-L369 WeakPolarHBondContact CA-O 3.36Å; G338-L369 PolarHBondContact N-O 3.27Å; F341-L369 HydrophobicContact CE1-CD2 3.77Å; F341-L369 HydrophobicContact CE1-CG 3.78Å; F341-L369 HydrophobicContact CZ-CD2 3.61Å; F341-L369 HydrophobicContact CZ-CG 4.11Å; I351-L369 HydrophobicContact CD1-CD2 4.5Å; I351-L369 HydrophobicContact CG2-CD1 3.95Å; I365-L369 HydrophobicContact CG2-CD1 3.97Å; I365-L369 HydrophobicContact CG2-CG 4.36Å; I365-L369 WeakPolarHBondContact O-CB 3.28Å; I365-L369 VanDerWaalsContact O-CG 3.25Å; I365-L369 WeakPolarHBondContact O-CG 3.39Å; I365-L369 PolarHBondContact O-N 2.85Å; C367-L369 VanDerWaalsContact C-N 3.34Å; C367-L369 PolarHBondContact O-N 3.43Å
370L98.6Very high96.6Very high0 Ų044 Ų440%025%0.246CC..Hα-helixtrans-106.6-20.2-176.7-57.8179000112.9R286 N288 H337 P360 M366 C367 E368R286-L370 HydrophobicContact CB-CD2 4.23Å; R286-L370 HydrophobicContact CG-CD1 4.44Å; R286-L370 HydrophobicContact CG-CD2 4.43Å; R286-L370 WeakPolarHBondContact O-CD2 3.24Å; N288-L370 HydrophobicContact CB-CB 4.2Å; H337-L370 HydrophobicContact CB-CD2 4.26Å; H337-L370 PolarHBondContact CD2-O 3.42Å; P360-L370 HydrophobicContact CB-CD1 3.93Å; P360-L370 HydrophobicContact CG-CD1 4.24Å; M366-L370 VanDerWaalsContact O-CG 3.27Å; M366-L370 WeakPolarHBondContact O-CG 3.45Å; C367-L370 CarbonylContact O-C 2.97Å; C367-L370 PolarHBondContact O-N 2.95Å; E368-L370 PolarHBondContact O-N 2.73Å; E368-L370 VanDerWaalsContact O-N 3.1Å
371W98Very high96.6Very high29 Ų2945 Ų4511%0.1126%0.256CS..Hα-helixtrans-125.6-21.3-168.2-73.5101.3000115.6N288 M294 C367 E368 R385 V387 H412N288-W371 HydrophobicContact CB-CD2 3.79Å; N288-W371 VanDerWaalsContact CB-CE2 3.43Å; N288-W371 HydrophobicContact CB-CE3 4.25Å; N288-W371 HydrophobicContact CB-CG 4.32Å; N288-W371 HydrophobicContact CB-CH2 4.18Å; N288-W371 HydrophobicContact CB-CZ2 3.66Å; N288-W371 HydrophobicContact CB-CZ3 4.44Å; N288-W371 VanDerWaalsContact ND2-CH2 3.29Å; N288-W371 WeakPolarHBondContact ND2-CH2 3.47Å; N288-W371 WeakPolarHBondContact ND2-CZ3 3.2Å; M294-W371 HydrophobicContact CE-CH2 3.86Å; M294-W371 HydrophobicContact CE-CZ2 4.1Å; M294-W371 HydrophobicContact CG-CH2 4.26Å; M294-W371 HydrophobicContact CG-CZ2 4.14Å; M294-W371 HydrophobicContact SD-CH2 3.51Å; M294-W371 VanDerWaalsContact SD-CH2 3.51Å; M294-W371 HydrophobicContact SD-CZ2 3.94Å; C367-W371 WeakPolarHBondContact O-CB 3.46Å; C367-W371 VanDerWaalsContact O-CD1 3.27Å; C367-W371 PolarHBondContact O-N 2.96Å; E368-W371 PolarHBondContact O-N 3.03Å; W371-R385 HydrophobicContact CE3-CB 4.49Å; W371-V387 HydrophobicContact CB-CG1 4.2Å; W371-V387 HydrophobicContact CB-CG2 4.41Å; W371-V387 HydrophobicContact CD2-CG1 3.42Å; W371-V387 VanDerWaalsContact CD2-CG1 3.42Å; W371-V387 HydrophobicContact CD2-CG2 4.43Å; W371-V387 HydrophobicContact CE3-CG1 3.42Å; W371-V387 VanDerWaalsContact CE3-CG1 3.42Å; W371-V387 HydrophobicContact CG-CG1 3.82Å; W371-V387 HydrophobicContact CG-CG2 4.1Å; W371-V387 HydrophobicContact CH2-CG1 4.25Å; W371-V387 HydrophobicContact CZ2-CG1 4.3Å; W371-V387 HydrophobicContact CZ3-CG1 3.85Å; W371-H412 AromaticContact CE3-CE1 3.96Å; W371-H412 AromaticContact CE3-NE2 3.91Å
372S98.4Very high96.8Very high0 Ų048.5 Ų48.50%027%0.269CS..  trans-71.5145.6-174.7-65.20000112.2G338 G339 L340 E368 C389 R410G338-S372 CarbonylContact C-O 3.47Å; G339-S372 PolarHBondContact N-O 3.46Å; L340-S372 WeakPolarHBondContact O-CB 3.12Å; L340-S372 PolarHBondContact O-OG 3.28Å; E368-S372 WeakPolarHBondContact CA-OG 3.45Å; E368-S372 WeakPolarHBondContact CB-OG 3.49Å; E368-S372 VanDerWaalsContact O-CB 3.3Å; E368-S372 WeakPolarHBondContact O-CB 3.33Å; E368-S372 PolarHBondContact O-N 3.43Å; E368-S372 PolarHBondContact O-OG 3Å; S372-C389 CarbonylContact C-O 3.59Å; S372-C389 WeakPolarHBondContact CA-O 3.21Å; S372-C389 VanDerWaalsContact CB-O 3.26Å; S372-C389 WeakPolarHBondContact CB-O 3.31Å; S372-C389 PolarHBondContact OG-N 2.68Å; S372-C389 VanDerWaalsContact OG-N 3.1Å; S372-C389 PolarHBondContact OG-SG 3.31Å; S372-R410 PolarHBondContact O-NH2 2.62Å
373D98.4Very high97.1Very high0 Ų043.6 Ų43.60%025%0.247CC..EExtended strand (participates in β ladder)trans-116.8148.4179.6-68.4-47.8000112.7K384 R385 C389 Q390 F391 R410 H412 E413D373-K384 VanDerWaalsContact OD2-CE 3.27Å; D373-K384 WeakPolarHBondContact OD2-CE 3.44Å; D373-R385 IonicContact OD1-CZ 2.6Å; D373-R385 IonicContact OD1-NE 3.08Å; D373-R385 PolarHBondContact OD1-NE 3.25Å; D373-R385 IonicContact OD1-NH2 3.81Å; D373-R385 PolarHBondContact OD1-NH2 3.1Å; D373-R385 IonicContact OD2-CZ 3.88Å; D373-R385 IonicContact OD2-NE 2.83Å; D373-R385 PolarHBondContact OD2-NE 3.45Å; D373-R385 IonicContact OD2-NH2 3.85Å; D373-R385 PolarHBondContact OD2-NH2 2.82Å; D373-C389 PolarHBondContact N-O 3.41Å; D373-Q390 HydrophobicContact CB-CG 4.4Å; D373-Q390 CarbonylContact O-C 3.55Å; D373-Q390 WeakPolarHBondContact O-CA 3.44Å; D373-F391 WeakPolarHBondContact O-CD1 3.38Å; D373-F391 VanDerWaalsContact O-CE1 3.25Å; D373-F391 WeakPolarHBondContact O-CE1 3.17Å; D373-F391 PolarHBondContact O-N 2.81Å; D373-R410 IonicContact OD1-CZ 3.85Å; D373-R410 IonicContact OD1-NH1 3.46Å; D373-R410 PolarHBondContact OD1-NH1 3.3Å; D373-R410 IonicContact OD1-NH2 3.74Å; D373-R410 PolarHBondContact OD1-NH2 3.45Å; D373-H412 IonicContact OD1-CD2 3.32Å; D373-H412 PolarHBondContact OD1-CD2 3.46Å; D373-E413 WeakPolarHBondContact OD1-CG 3.41Å
374P98.4Very high97.4Very high11 Ų1142.5 Ų42.57%0.07122%0.222CC..EExtended strand (participates in β ladder)trans-68.4155167.231.4-34.2000111.2F391 R410 H423P374-F391 CarbonylContact C-O 3.58Å; P374-F391 WeakPolarHBondContact CA-O 3.44Å; P374-F391 HydrophobicContact CB-CE2 4.14Å; P374-F391 HydrophobicContact CB-CZ 4.01Å; P374-R410 VanDerWaalsContact CD-NH1 3.33Å; P374-H423 VanDerWaalsContact CB-CE1 3.47Å; P374-H423 WeakPolarHBondContact CB-CE1 3.27Å
375M97.6Very high97.3Very high29 Ų2942.9 Ų42.914%0.14322%0.22CC..  trans-137.8154.2169.667.4176.4-172.100110.9A377 G379 A381 Q390 F391 H423M375-A377 HydrophobicContact CE-CB 4.45Å; M375-A377 WeakPolarHBondContact CE-O 3.48Å; M375-A377 PolarHBondContact O-N 3.09Å; M375-G379 WeakPolarHBondContact CE-O 3.48Å; M375-A381 HydrophobicContact CE-CB 4.29Å; M375-A381 HydrophobicContact SD-CB 3.72Å; M375-Q390 HydrophobicContact CB-CB 4.23Å; M375-Q390 HydrophobicContact CG-CB 4.19Å; M375-Q390 HydrophobicContact SD-CB 3.83Å; M375-F391 PolarHBondContact N-O 3.21Å; M375-H423 PolarHBondContact O-NE2 3Å
376E97.5Very high97.1Very high191 Ų19143.3 Ų43.389%0.89323%0.228SC*.SBendtrans-66.7-36.6-178.1-62.6-174.3167.700113.3
377A97.7Very high97Very high62 Ų6244 Ų4451%0.51223%0.233SC..SBendtrans-73.5151.1-177.400000112.1M375 G392 P393M375-A377 HydrophobicContact CE-CB 4.45Å; M375-A377 WeakPolarHBondContact CE-O 3.48Å; M375-A377 PolarHBondContact O-N 3.09Å; A377-G392 WeakPolarHBondContact O-CA 3.34Å; A377-P393 WeakPolarHBondContact O-CD 3.47Å
378E98.4Very high96.9Very high153 Ų15345.3 Ų45.372%0.71525%0.246SC*.SBendtrans-66.8155.4172-68.8-173.716500112.4P393 D394E378-P393 HydrophobicContact CG-CG 4.18Å; E378-D394 WeakPolarHBondContact CA-OD1 3.46Å; E378-D394 HydrophobicContact CG-CB 4.38Å
379G98.2Very high96.8Very high23 Ų2344.9 Ų44.924%0.23724%0.244CC..SBendtrans88.1-142.217700000112.6M375 G392 D394 V395M375-G379 WeakPolarHBondContact CE-O 3.48Å; G379-G392 PolarHBondContact O-N 3.46Å; G379-D394 PolarHBondContact N-OD1 3.02Å; G379-D394 PolarHBondContact N-OD2 3.46Å; G379-V395 VanDerWaalsContact O-CG2 3.3Å; G379-V395 WeakPolarHBondContact O-CG2 3.38Å
380R97.5Very high96.8Very high79 Ų7945.8 Ų45.830%0.29825%0.248SC..EExtended strand (participates in β ladder)trans-138.5149.2-177.3-66.1175.8173.193.1-11.5110.4F341 E342 R343 D344 Q390 V395F341-R380 PolarHBondContact O-NE 3.17Å; F341-R380 PolarHBondContact O-NH2 3.43Å; E342-R380 WeakPolarHBondContact O-CD 3.46Å; E342-R380 PolarHBondContact O-NE 3.48Å; R343-R380 PolarHBondContact O-NH2 2.95Å; D344-R380 IonicContact OD1-CZ 3.96Å; D344-R380 VanDerWaalsContact OD1-CZ 3.25Å; D344-R380 IonicContact OD1-NH1 2.86Å; D344-R380 PolarHBondContact OD1-NH1 3.05Å; D344-R380 IonicContact OD1-NH2 3.75Å; D344-R380 PolarHBondContact OD1-NH2 3.27Å; R380-Q390 CarbonylContact C-O 3.5Å; R380-Q390 WeakPolarHBondContact CA-O 3.43Å; R380-V395 HydrophobicContact CG-CG2 3.91Å
381A96.5Very high96.8Very high43 Ų4345.8 Ų45.836%0.35525%0.248SC..EExtended strand (participates in β ladder)trans-136.1163.7174.300000111.1M375 Q390M375-A381 HydrophobicContact CE-CB 4.29Å; M375-A381 HydrophobicContact SD-CB 3.72Å; A381-Q390 HydrophobicContact CB-CB 4.13Å; A381-Q390 PolarHBondContact N-O 3.23Å; A381-Q390 PolarHBondContact O-N 3.04Å
382H94.1Very high96.8Very high153 Ų15344.4 Ų44.471%0.70824%0.243SC*.EExtended strand (participates in β ladder)trans-60.6143.3171.4-70.6-69000110.5K384 Q390H382-K384 PolarHBondContact O-N 3.49Å; H382-Q390 PolarHBondContact O-NE2 3.46Å
383S95.8Very high96.8Very high7 Ų745.4 Ų45.45%0.04925%0.25CC..  trans-67.6129.9179.8175.60000111.7R385 G386 V387 G388S383-R385 PolarHBondContact O-N 3.05Å; S383-R385 WeakPolarHBondContact OG-CB 3.46Å; S383-R385 PolarHBondContact OG-N 3.47Å; S383-G386 PolarHBondContact O-N 3.11Å; S383-V387 WeakPolarHBondContact CB-O 3.49Å; S383-V387 PolarHBondContact OG-O 2.59Å; S383-G388 VanDerWaalsContact CB-O 3.27Å; S383-G388 WeakPolarHBondContact CB-O 3.27Å
384K94.7Very high96.9Very high49 Ų4948.1 Ų48.121%0.21326%0.264CS..THydrogen-bonded Turntrans-56.7-28168.265.9-172.9175.7-169.20112.2C58 F59 G60 Y61 D373 H382 G386 E413C58-K384 CarbonylContact C-O 3.54Å; C58-K384 WeakPolarHBondContact CA-O 3.38Å; F59-K384 PolarHBondContact N-O 2.87Å; G60-K384 WeakPolarHBondContact CA-O 3.49Å; G60-K384 PolarHBondContact N-O 3.23Å; Y61-K384 HydrophobicContact CD1-CB 4.38Å; Y61-K384 HydrophobicContact CD2-CB 3.69Å; Y61-K384 HydrophobicContact CE1-CB 4.02Å; Y61-K384 HydrophobicContact CE2-CB 3.27Å; Y61-K384 HydrophobicContact CG-CB 4.23Å; Y61-K384 VanDerWaalsContact CZ-CB 3.47Å; Y61-K384 PolarHBondContact N-O 3.1Å; D373-K384 VanDerWaalsContact OD2-CE 3.27Å; D373-K384 WeakPolarHBondContact OD2-CE 3.44Å; H382-K384 PolarHBondContact O-N 3.49Å; K384-G386 VanDerWaalsContact C-N 3.29Å; K384-G386 PolarHBondContact O-N 3.19Å; K384-E413 IonicContact NZ-OE1 2.59Å; K384-E413 PolarHBondContact NZ-OE1 3.36Å
385R93.9Very high96.9Very high40 Ų4047.8 Ų47.815%0.15126%0.262CS..THydrogen-bonded Turntrans-77.7-12.7178.4-51-176.2-174.5-105.311.2113.2L90 W371 D373 S383 V387 H412 E413L90-R385 WeakPolarHBondContact CD2-O 3.19Å; W371-R385 HydrophobicContact CE3-CB 4.49Å; D373-R385 IonicContact OD1-CZ 2.6Å; D373-R385 IonicContact OD1-NE 3.08Å; D373-R385 PolarHBondContact OD1-NE 3.25Å; D373-R385 IonicContact OD1-NH2 3.81Å; D373-R385 PolarHBondContact OD1-NH2 3.1Å; D373-R385 IonicContact OD2-CZ 3.88Å; D373-R385 IonicContact OD2-NE 2.83Å; D373-R385 PolarHBondContact OD2-NE 3.45Å; D373-R385 IonicContact OD2-NH2 3.85Å; D373-R385 PolarHBondContact OD2-NH2 2.82Å; S383-R385 PolarHBondContact O-N 3.05Å; S383-R385 WeakPolarHBondContact OG-CB 3.46Å; S383-R385 PolarHBondContact OG-N 3.47Å; R385-V387 VanDerWaalsContact C-N 3.25Å; R385-V387 HydrophobicContact CB-CG1 4.35Å; R385-V387 PolarHBondContact O-N 2.93Å; R385-H412 VanDerWaalsContact CD-NE2 3.27Å; R385-H412 WeakPolarHBondContact CD-NE2 3.43Å; R385-H412 PolarHBondContact NE-CD2 3.47Å; R385-H412 PolarHBondContact NE-NE2 3Å; R385-H412 PolarHBondContact NH1-NE2 2.74Å; R385-H412 PolarHBondContact NH2-CD2 2.93Å; R385-H412 PolarHBondContact NH2-NE2 2.62Å; R385-H412 PolarHBondContact NH2-O 3.45Å; R385-E413 VanDerWaalsContact NH2-CG 3.27Å
386G94Very high96.9Very high26 Ų2646.4 Ų46.427%0.26826%0.255SS..SBendtrans79.71.6-175.300000114.7G60 S383 K384G60-G386 VanDerWaalsContact CA-CA 3.47Å; S383-G386 PolarHBondContact O-N 3.11Å; K384-G386 VanDerWaalsContact C-N 3.29Å; K384-G386 PolarHBondContact O-N 3.19Å
387V94.6Very high97Very high17 Ų1741 Ų4110%0.10323%0.23CC..SBendtrans-145.3145.8177.958.70000109.6E362 C367 W371 S383 R385E362-V387 HydrophobicContact CG-CG2 4.09Å; C367-V387 WeakPolarHBondContact SG-CG2 3.32Å; W371-V387 HydrophobicContact CB-CG1 4.2Å; W371-V387 HydrophobicContact CB-CG2 4.41Å; W371-V387 HydrophobicContact CD2-CG1 3.42Å; W371-V387 VanDerWaalsContact CD2-CG1 3.42Å; W371-V387 HydrophobicContact CD2-CG2 4.43Å; W371-V387 HydrophobicContact CE3-CG1 3.42Å; W371-V387 VanDerWaalsContact CE3-CG1 3.42Å; W371-V387 HydrophobicContact CG-CG1 3.82Å; W371-V387 HydrophobicContact CG-CG2 4.1Å; W371-V387 HydrophobicContact CH2-CG1 4.25Å; W371-V387 HydrophobicContact CZ2-CG1 4.3Å; W371-V387 HydrophobicContact CZ3-CG1 3.85Å; S383-V387 WeakPolarHBondContact CB-O 3.49Å; S383-V387 PolarHBondContact OG-O 2.59Å; R385-V387 VanDerWaalsContact C-N 3.25Å; R385-V387 HydrophobicContact CB-CG1 4.35Å; R385-V387 PolarHBondContact O-N 2.93Å
388G95.5Very high97Very high27 Ų2742.3 Ų42.328%0.27822%0.224SC..SBendtrans73.3-159-16800000112.2S383S383-G388 VanDerWaalsContact CB-O 3.27Å; S383-G388 WeakPolarHBondContact CB-O 3.27Å
389C97Very high97Very high4 Ų435.7 Ų35.73%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-136.1171.4177.870.70000112.4E342 S372 D373E342-C389 HydrophobicContact CB-CB 4.25Å; E342-C389 PolarHBondContact N-SG 2.88Å; S372-C389 CarbonylContact C-O 3.59Å; S372-C389 WeakPolarHBondContact CA-O 3.21Å; S372-C389 VanDerWaalsContact CB-O 3.26Å; S372-C389 WeakPolarHBondContact CB-O 3.31Å; S372-C389 PolarHBondContact OG-N 2.68Å; S372-C389 VanDerWaalsContact OG-N 3.1Å; S372-C389 PolarHBondContact OG-SG 3.31Å; D373-C389 PolarHBondContact N-O 3.41Å
390Q98.2Very high97.1Very high18 Ų1834.6 Ų34.68%0.08418%0.182CC..EExtended strand (participates in β ladder)trans-103.5139.3163.5-72.7-179.795.500109.7Y61 D373 M375 R380 A381 H382Y61-Q390 PolarHBondContact OH-NE2 3.3Å; D373-Q390 HydrophobicContact CB-CG 4.4Å; D373-Q390 CarbonylContact O-C 3.55Å; D373-Q390 WeakPolarHBondContact O-CA 3.44Å; M375-Q390 HydrophobicContact CB-CB 4.23Å; M375-Q390 HydrophobicContact CG-CB 4.19Å; M375-Q390 HydrophobicContact SD-CB 3.83Å; R380-Q390 CarbonylContact C-O 3.5Å; R380-Q390 WeakPolarHBondContact CA-O 3.43Å; A381-Q390 HydrophobicContact CB-CB 4.13Å; A381-Q390 PolarHBondContact N-O 3.23Å; A381-Q390 PolarHBondContact O-N 3.04Å; H382-Q390 PolarHBondContact O-NE2 3.46Å
391F98.6Very high97.1Very high0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-132.7139.9-176.363-87.8000112.6L340 D373 P374 M375 V395 T396 I408 H423L340-F391 HydrophobicContact CB-CB 4.49Å; L340-F391 HydrophobicContact CB-CD1 3.94Å; L340-F391 HydrophobicContact CB-CD2 3.94Å; L340-F391 HydrophobicContact CB-CE1 4.14Å; L340-F391 HydrophobicContact CB-CE2 4.11Å; L340-F391 HydrophobicContact CB-CG 3.85Å; L340-F391 HydrophobicContact CB-CZ 4.22Å; L340-F391 HydrophobicContact CD1-CD2 3.83Å; L340-F391 HydrophobicContact CD1-CE2 3.83Å; L340-F391 HydrophobicContact CG-CD2 4.03Å; L340-F391 HydrophobicContact CG-CE1 4.46Å; L340-F391 HydrophobicContact CG-CE2 3.81Å; L340-F391 HydrophobicContact CG-CG 4.44Å; L340-F391 HydrophobicContact CG-CZ 4.05Å; D373-F391 WeakPolarHBondContact O-CD1 3.38Å; D373-F391 VanDerWaalsContact O-CE1 3.25Å; D373-F391 WeakPolarHBondContact O-CE1 3.17Å; D373-F391 PolarHBondContact O-N 2.81Å; P374-F391 CarbonylContact C-O 3.58Å; P374-F391 WeakPolarHBondContact CA-O 3.44Å; P374-F391 HydrophobicContact CB-CE2 4.14Å; P374-F391 HydrophobicContact CB-CZ 4.01Å; M375-F391 PolarHBondContact N-O 3.21Å; F391-V395 HydrophobicContact CB-CB 4.18Å; F391-V395 HydrophobicContact CB-CG1 4.01Å; F391-T396 WeakPolarHBondContact CD2-OG1 3.43Å; F391-T396 WeakPolarHBondContact CE2-OG1 3.42Å; F391-I408 HydrophobicContact CE2-CD1 4.34Å; F391-I408 HydrophobicContact CZ-CD1 4.43Å; F391-H423 AromaticContact CD2-CE1 3.83Å; F391-H423 AromaticContact CE2-CE1 3.77Å; F391-H423 PolarHBondContact O-CE1 3.48Å
392G98.6Very high97.2Very high0 Ų038.8 Ų38.80%020%0.195CC..  trans-88179.8-17700000115.6A377 G379 D394 V395 T396A377-G392 WeakPolarHBondContact O-CA 3.34Å; G379-G392 PolarHBondContact O-N 3.46Å; G392-D394 VanDerWaalsContact C-N 3.34Å; G392-D394 PolarHBondContact O-N 3.15Å; G392-V395 PolarHBondContact O-N 2.71Å; G392-T396 PolarHBondContact O-N 2.78Å; G392-T396 PolarHBondContact O-OG1 3.26Å
393P98.7Very high97.4Very high22 Ų2232.8 Ų32.814%0.14317%0.168CC..Hα-helixtrans-62.9-36.2177.823.9-33.7000113.6A377 E378 T396 E397 H423A377-P393 WeakPolarHBondContact O-CD 3.47Å; E378-P393 HydrophobicContact CG-CG 4.18Å; P393-T396 PolarHBondContact O-N 3.45Å; P393-E397 WeakPolarHBondContact O-CB 3.45Å; P393-E397 PolarHBondContact O-N 2.92Å; P393-H423 HydrophobicContact CB-CB 3.93Å
394D98.6Very high97.4Very high56 Ų5634.3 Ų34.330%0.29919%0.185SC..Hα-helixtrans-63.8-41.1177.164.7-49.9000112.2E378 G379 G392 T396 E397 K398E378-D394 WeakPolarHBondContact CA-OD1 3.46Å; E378-D394 HydrophobicContact CG-CB 4.38Å; G379-D394 PolarHBondContact N-OD1 3.02Å; G379-D394 PolarHBondContact N-OD2 3.46Å; G392-D394 VanDerWaalsContact C-N 3.34Å; G392-D394 PolarHBondContact O-N 3.15Å; D394-T396 VanDerWaalsContact C-N 3.35Å; D394-E397 PolarHBondContact O-N 3.19Å; D394-K398 VanDerWaalsContact O-CB 3.31Å; D394-K398 WeakPolarHBondContact O-CB 3.4Å; D394-K398 PolarHBondContact O-N 2.96Å
395V98.7Very high97.6Very high5 Ų532.2 Ų32.23%0.0318%0.177CC..Hα-helixtrans-63.3-44.6175.9177.30000110.5L340 G379 R380 F391 G392 K398 F399L340-V395 HydrophobicContact CD1-CG1 4.32Å; G379-V395 VanDerWaalsContact O-CG2 3.3Å; G379-V395 WeakPolarHBondContact O-CG2 3.38Å; R380-V395 HydrophobicContact CG-CG2 3.91Å; F391-V395 HydrophobicContact CB-CB 4.18Å; F391-V395 HydrophobicContact CB-CG1 4.01Å; G392-V395 PolarHBondContact O-N 2.71Å; V395-K398 PolarHBondContact O-N 2.96Å; V395-F399 WeakPolarHBondContact O-CB 3.24Å; V395-F399 PolarHBondContact O-N 3.44Å
396T98.8Very high97.8Very high0 Ų031.9 Ų31.90%018%0.178CC..Hα-helixtrans-63.7-46.7178.7-56.30000111.3L340 F391 G392 P393 D394 K398 F399 C400 I408 H423 R426 C427L340-T396 HydrophobicContact CD1-CG2 4.39Å; F391-T396 WeakPolarHBondContact CD2-OG1 3.43Å; F391-T396 WeakPolarHBondContact CE2-OG1 3.42Å; G392-T396 PolarHBondContact O-N 2.78Å; G392-T396 PolarHBondContact O-OG1 3.26Å; P393-T396 PolarHBondContact O-N 3.45Å; D394-T396 VanDerWaalsContact C-N 3.35Å; T396-K398 PolarHBondContact O-N 3.01Å; T396-F399 PolarHBondContact O-N 3.4Å; T396-C400 WeakPolarHBondContact O-CB 3.33Å; T396-C400 PolarHBondContact O-N 2.99Å; T396-C400 PolarHBondContact O-SG 3.4Å; T396-I408 HydrophobicContact CG2-CD1 4.36Å; T396-I408 HydrophobicContact CG2-CG1 4.44Å; T396-H423 HydrophobicContact CG2-CB 4.3Å; T396-H423 PolarHBondContact OG1-ND1 3.47Å; T396-R426 HydrophobicContact CG2-CB 3.77Å; T396-C427 HydrophobicContact CG2-CB 4.11Å
397E98.6Very high98.1Very high76 Ų7631.5 Ų31.536%0.35517%0.168SC..Hα-helixtrans-60.5-46.6178.1-174.9179.3-172.300111.6P393 D394 C400 K401P393-E397 WeakPolarHBondContact O-CB 3.45Å; P393-E397 PolarHBondContact O-N 2.92Å; D394-E397 PolarHBondContact O-N 3.19Å; E397-C400 PolarHBondContact O-N 3.45Å; E397-K401 HydrophobicContact CG-CD 4.05Å; E397-K401 WeakPolarHBondContact O-CB 3.47Å; E397-K401 WeakPolarHBondContact O-CG 3.36Å; E397-K401 PolarHBondContact O-N 3.34Å; E397-K401 VanDerWaalsContact OE1-CE 3.25Å; E397-K401 WeakPolarHBondContact OE1-CE 3.42Å; E397-K401 IonicContact OE1-NZ 3.9Å; E397-K401 PolarHBondContact OE1-NZ 3.49Å
398K98.5Very high98.3Very high91 Ų9130.7 Ų30.740%0.39616%0.163SC..Hα-helixtrans-62.1-46.7178.7-175.6177.3179.5176.80111.7D344 D394 V395 T396 K401 Q402D344-K398 VanDerWaalsContact CG-NZ 3.32Å; D344-K398 IonicContact OD1-NZ 2.71Å; D344-K398 IonicContact OD2-NZ 3.31Å; D344-K398 PolarHBondContact OD2-NZ 3.25Å; D394-K398 VanDerWaalsContact O-CB 3.31Å; D394-K398 WeakPolarHBondContact O-CB 3.4Å; D394-K398 PolarHBondContact O-N 2.96Å; V395-K398 PolarHBondContact O-N 2.96Å; T396-K398 PolarHBondContact O-N 3.01Å; K398-K401 PolarHBondContact O-N 3.02Å; K398-Q402 VanDerWaalsContact O-CB 3.27Å; K398-Q402 WeakPolarHBondContact O-CB 3.25Å; K398-Q402 PolarHBondContact O-N 3.41Å
399F98.7Very high98.4Very high13 Ų1329.4 Ų29.46%0.05715%0.15CC..Hα-helixtrans-61.1-46.4178.2176.7-97.3000111.8L334 L340 F341 V346 I351 V395 T396 Q402 N403 L405 I408L334-F399 HydrophobicContact CD2-CE1 3.67Å; L334-F399 HydrophobicContact CD2-CZ 3.67Å; L340-F399 HydrophobicContact CD1-CB 4.06Å; L340-F399 HydrophobicContact CD1-CD1 4.29Å; L340-F399 HydrophobicContact CD1-CG 4.27Å; L340-F399 HydrophobicContact CD2-CD1 3.67Å; L340-F399 HydrophobicContact CD2-CD2 4.45Å; L340-F399 HydrophobicContact CD2-CE1 3.85Å; L340-F399 HydrophobicContact CD2-CG 3.99Å; L340-F399 HydrophobicContact CD2-CZ 4.32Å; F341-F399 HydrophobicContact CD2-CD2 4.39Å; F341-F399 HydrophobicContact CD2-CE2 4.25Å; F341-F399 HydrophobicContact CE2-CD2 4.17Å; F341-F399 AromaticContact CE2-CE2 3.62Å; F341-F399 HydrophobicContact CE2-CE2 3.62Å; F341-F399 HydrophobicContact CE2-CZ 4.1Å; V346-F399 WeakPolarHBondContact O-CE2 3.39Å; I351-F399 HydrophobicContact CD1-CZ 4.48Å; V395-F399 WeakPolarHBondContact O-CB 3.24Å; V395-F399 PolarHBondContact O-N 3.44Å; T396-F399 PolarHBondContact O-N 3.4Å; F399-Q402 PolarHBondContact O-N 3.04Å; F399-N403 WeakPolarHBondContact CD2-ND2 3.3Å; F399-N403 WeakPolarHBondContact CE2-ND2 3.35Å; F399-N403 WeakPolarHBondContact O-CB 3.38Å; F399-N403 PolarHBondContact O-N 2.98Å; F399-N403 PolarHBondContact O-ND2 2.71Å; F399-L405 HydrophobicContact CD1-CD1 4.15Å; F399-L405 HydrophobicContact CE1-CD1 3.56Å; F399-L405 HydrophobicContact CZ-CD1 4.36Å; F399-I408 HydrophobicContact CD1-CG2 4.33Å; F399-I408 HydrophobicContact CE1-CG2 4.24Å
400C98.6Very high98.5Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-64.3-46.4179.5-670000111.5T396 E397 Q402 N403 G404 L405T396-C400 WeakPolarHBondContact O-CB 3.33Å; T396-C400 PolarHBondContact O-N 2.99Å; T396-C400 PolarHBondContact O-SG 3.4Å; E397-C400 PolarHBondContact O-N 3.45Å; C400-Q402 PolarHBondContact O-N 3.39Å; C400-N403 CarbonylContact O-C 3.09Å; C400-N403 PolarHBondContact O-N 3.1Å; C400-G404 PolarHBondContact O-N 3.4Å; C400-L405 HydrophobicContact CB-CB 4.09Å; C400-L405 PolarHBondContact O-N 2.75Å
401K98.1Very high98.5Very high134 Ų13428.4 Ų28.458%0.58315%0.145SC*.Hα-helixtrans-58.7-45.6176.3-79.2176.8171.41690112.2E397 K398 N403 G404E397-K401 HydrophobicContact CG-CD 4.05Å; E397-K401 WeakPolarHBondContact O-CB 3.47Å; E397-K401 WeakPolarHBondContact O-CG 3.36Å; E397-K401 PolarHBondContact O-N 3.34Å; E397-K401 VanDerWaalsContact OE1-CE 3.25Å; E397-K401 WeakPolarHBondContact OE1-CE 3.42Å; E397-K401 IonicContact OE1-NZ 3.9Å; E397-K401 PolarHBondContact OE1-NZ 3.49Å; K398-K401 PolarHBondContact O-N 3.02Å; K401-N403 VanDerWaalsContact C-N 3.31Å; K401-N403 PolarHBondContact O-N 2.87Å; K401-G404 PolarHBondContact O-N 3.03Å
402Q98.2Very high98.5Very high77 Ų7728.9 Ų28.936%0.3615%0.147SC..Hα-helixtrans-62.7-38.3-179.6-179.6-175.1-30.300112.3N345 K398 F399 C400N345-Q402 PolarHBondContact O-NE2 3.19Å; N345-Q402 PolarHBondContact OD1-OE1 3.26Å; K398-Q402 VanDerWaalsContact O-CB 3.27Å; K398-Q402 WeakPolarHBondContact O-CB 3.25Å; K398-Q402 PolarHBondContact O-N 3.41Å; F399-Q402 PolarHBondContact O-N 3.04Å; C400-Q402 PolarHBondContact O-N 3.39Å
403N98.2Very high98.5Very high26 Ų2629.8 Ų29.814%0.13915%0.152CC..Hα-helixtrans-99.38.1-174.9-69.4-77000113.7V346 T347 L348 F399 C400 K401 L405V346-N403 PolarHBondContact O-ND2 2.79Å; T347-N403 VanDerWaalsContact CA-OD1 3.3Å; T347-N403 WeakPolarHBondContact CA-OD1 3.36Å; L348-N403 HydrophobicContact CD1-CB 4.22Å; L348-N403 HydrophobicContact CD2-CB 4.47Å; L348-N403 HydrophobicContact CG-CB 3.98Å; L348-N403 PolarHBondContact N-OD1 2.91Å; F399-N403 WeakPolarHBondContact CD2-ND2 3.3Å; F399-N403 WeakPolarHBondContact CE2-ND2 3.35Å; F399-N403 WeakPolarHBondContact O-CB 3.38Å; F399-N403 PolarHBondContact O-N 2.98Å; F399-N403 PolarHBondContact O-ND2 2.71Å; C400-N403 CarbonylContact O-C 3.09Å; C400-N403 PolarHBondContact O-N 3.1Å; K401-N403 VanDerWaalsContact C-N 3.31Å; K401-N403 PolarHBondContact O-N 2.87Å; N403-L405 VanDerWaalsContact C-N 3.3Å; N403-L405 HydrophobicContact CB-CD1 4.07Å; N403-L405 HydrophobicContact CB-CG 4.01Å; N403-L405 PolarHBondContact O-N 3.19Å
404G97.5Very high98.4Very high39 Ų3931 Ų3140%0.40216%0.158SC..THydrogen-bonded Turntrans69.822.9177.900000114.9R332 C400 K401R332-G404 PolarHBondContact NH1-O 2.95Å; C400-G404 PolarHBondContact O-N 3.4Å; K401-G404 PolarHBondContact O-N 3.03Å
405L98.5Very high98.3Very high6 Ų629.8 Ų29.83%0.03115%0.15CC..  trans-92.5146.4-175.5-54.3173000112.2L328 R332 L334 L348 F399 C400 N403 I408 R426L328-L405 HydrophobicContact CD1-CD2 3.56Å; R332-L405 CarbonylContact O-C 3.58Å; R332-L405 VanDerWaalsContact O-CA 3.23Å; R332-L405 WeakPolarHBondContact O-CA 3.46Å; R332-L405 WeakPolarHBondContact O-CB 3.32Å; R332-L405 WeakPolarHBondContact O-CD2 2.97Å; L334-L405 HydrophobicContact CB-CD1 3.69Å; L334-L405 HydrophobicContact CB-CD2 4.28Å; L334-L405 HydrophobicContact CD2-CD1 4.19Å; L348-L405 HydrophobicContact CD1-CD2 4.36Å; F399-L405 HydrophobicContact CD1-CD1 4.15Å; F399-L405 HydrophobicContact CE1-CD1 3.56Å; F399-L405 HydrophobicContact CZ-CD1 4.36Å; C400-L405 HydrophobicContact CB-CB 4.09Å; C400-L405 PolarHBondContact O-N 2.75Å; N403-L405 VanDerWaalsContact C-N 3.3Å; N403-L405 HydrophobicContact CB-CD1 4.07Å; N403-L405 HydrophobicContact CB-CG 4.01Å; N403-L405 PolarHBondContact O-N 3.19Å; L405-I408 HydrophobicContact CD1-CG2 4.4Å; L405-R426 PolarHBondContact O-NH1 3.31Å
406D98.3Very high98.3Very high33 Ų3335.1 Ų35.118%0.17618%0.179CC..SBendtrans-75.9-52.2171.7-66.9-28.2000109.6R332 R426 G456R332-D406 PolarHBondContact O-N 3.26Å; D406-R426 PolarHBondContact O-NH1 2.72Å; D406-G456 PolarHBondContact OD1-N 2.69Å; D406-G456 PolarHBondContact OD2-N 3.33Å
407Y98.8Very high98.3Very high18 Ų1839.1 Ų39.17%0.07120%0.197CC..EExtended strand (participates in β ladder)trans-159.5170.9178.258.6-97.4000111.4I333 L334 I409 R426 I428 L449 M458I333-Y407 HydrophobicContact CB-CE2 4.33Å; I333-Y407 HydrophobicContact CD1-CE1 4.01Å; I333-Y407 HydrophobicContact CD1-CE2 3.99Å; I333-Y407 VanDerWaalsContact CD1-CZ 3.47Å; I333-Y407 WeakPolarHBondContact CD1-OH 3.21Å; I333-Y407 HydrophobicContact CG1-CD1 4.45Å; I333-Y407 HydrophobicContact CG1-CD2 4.35Å; I333-Y407 HydrophobicContact CG1-CE1 3.95Å; I333-Y407 HydrophobicContact CG1-CE2 3.83Å; I333-Y407 HydrophobicContact CG2-CD2 3.94Å; I333-Y407 HydrophobicContact CG2-CE2 3.54Å; L334-Y407 PolarHBondContact N-O 3.33Å; Y407-I409 HydrophobicContact CD2-CG1 4.09Å; Y407-I409 HydrophobicContact CE2-CD1 3.98Å; Y407-I409 HydrophobicContact CE2-CG1 3.72Å; Y407-R426 WeakPolarHBondContact CA-O 3.5Å; Y407-R426 WeakPolarHBondContact CB-O 3.45Å; Y407-I428 HydrophobicContact CD2-CD1 3.53Å; Y407-I428 HydrophobicContact CD2-CG1 4.33Å; Y407-I428 HydrophobicContact CE2-CD1 3.47Å; Y407-I428 VanDerWaalsContact CE2-CD1 3.47Å; Y407-I428 HydrophobicContact CG-CD1 4.23Å; Y407-L449 WeakPolarHBondContact OH-CD2 3.33Å; Y407-M458 PolarHBondContact OH-O 3.09Å
408I98.9Very high98.3Very high0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-108.4148171.467.8174.4000110.8L334 M336 L340 F391 T396 F399 L405 R426 C427 I428L334-I408 HydrophobicContact CB-CG2 4.3Å; L334-I408 CarbonylContact O-C 3.56Å; L334-I408 VanDerWaalsContact O-CA 3.26Å; L334-I408 WeakPolarHBondContact O-CA 3.26Å; M336-I408 HydrophobicContact CE-CG2 4.37Å; M336-I408 HydrophobicContact SD-CB 4.15Å; M336-I408 HydrophobicContact SD-CD1 4.26Å; L340-I408 HydrophobicContact CD1-CD1 4.01Å; L340-I408 HydrophobicContact CD2-CD1 3.89Å; L340-I408 HydrophobicContact CG-CD1 3.79Å; F391-I408 HydrophobicContact CE2-CD1 4.34Å; F391-I408 HydrophobicContact CZ-CD1 4.43Å; T396-I408 HydrophobicContact CG2-CD1 4.36Å; T396-I408 HydrophobicContact CG2-CG1 4.44Å; F399-I408 HydrophobicContact CD1-CG2 4.33Å; F399-I408 HydrophobicContact CE1-CG2 4.24Å; L405-I408 HydrophobicContact CD1-CG2 4.4Å; I408-R426 WeakPolarHBondContact CG1-O 3.09Å; I408-R426 PolarHBondContact N-O 3.27Å; I408-C427 HydrophobicContact CD1-CB 4.47Å; I408-C427 HydrophobicContact CG1-CB 4.21Å; I408-I428 PolarHBondContact O-N 2.81Å
409I98.9Very high98.3Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-112.7132.4167.9-58.1173.2000108.2V224 I333 L334 V335 M336 Y407 I428 V430 I447 L449V224-I409 HydrophobicContact CG1-CG2 4.18Å; V224-I409 HydrophobicContact CG2-CD1 4.24Å; I333-I409 HydrophobicContact CG2-CD1 3.75Å; I333-I409 HydrophobicContact CG2-CG1 3.85Å; L334-I409 PolarHBondContact O-N 3.15Å; V335-I409 WeakPolarHBondContact CA-O 3.08Å; V335-I409 HydrophobicContact CG1-CB 4.17Å; V335-I409 HydrophobicContact CG1-CG2 4.29Å; V335-I409 HydrophobicContact CG2-CB 4.12Å; V335-I409 HydrophobicContact CG2-CD1 4.28Å; M336-I409 PolarHBondContact N-O 3.32Å; M336-I409 VanDerWaalsContact N-O 3.08Å; Y407-I409 HydrophobicContact CD2-CG1 4.09Å; Y407-I409 HydrophobicContact CE2-CD1 3.98Å; Y407-I409 HydrophobicContact CE2-CG1 3.72Å; I409-I428 CarbonylContact C-O 3.45Å; I409-I428 WeakPolarHBondContact CA-O 2.98Å; I409-I428 HydrophobicContact CG1-CB 4.41Å; I409-I428 HydrophobicContact CG1-CD1 4.46Å; I409-V430 HydrophobicContact CG2-CG1 3.92Å; I409-I447 HydrophobicContact CD1-CD1 3.99Å; I409-I447 HydrophobicContact CG1-CD1 4.28Å; I409-I447 HydrophobicContact CG2-CD1 3.67Å; I409-L449 HydrophobicContact CD1-CD1 4.41Å
410R98.9Very high98.3Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-136172175.766.186.260.51603.6112.9M336 G338 S372 D373 P374 E413 I428 T429 V430M336-R410 WeakPolarHBondContact O-CA 3.07Å; M336-R410 HydrophobicContact SD-CB 4.5Å; G338-R410 VanDerWaalsContact O-CB 3.24Å; G338-R410 WeakPolarHBondContact O-CB 3.3Å; G338-R410 VanDerWaalsContact O-CZ 3.32Å; G338-R410 PolarHBondContact O-NE 3.27Å; G338-R410 PolarHBondContact O-NH2 3.03Å; G338-R410 VanDerWaalsContact O-NH2 3.13Å; S372-R410 PolarHBondContact O-NH2 2.62Å; D373-R410 IonicContact OD1-CZ 3.85Å; D373-R410 IonicContact OD1-NH1 3.46Å; D373-R410 PolarHBondContact OD1-NH1 3.3Å; D373-R410 IonicContact OD1-NH2 3.74Å; D373-R410 PolarHBondContact OD1-NH2 3.45Å; P374-R410 VanDerWaalsContact CD-NH1 3.33Å; R410-E413 VanDerWaalsContact NH1-CD 3.32Å; R410-E413 IonicContact NH1-OE2 2.68Å; R410-E413 PolarHBondContact NH1-OE2 2.85Å; R410-I428 PolarHBondContact N-O 2.96Å; R410-T429 VanDerWaalsContact CD-OG1 3.24Å; R410-T429 WeakPolarHBondContact CD-OG1 3.34Å; R410-T429 CarbonylContact O-C 3.59Å; R410-T429 VanDerWaalsContact O-CA 3.25Å; R410-T429 WeakPolarHBondContact O-CA 3.44Å; R410-V430 PolarHBondContact O-N 3.3Å
411S98.8Very high98.3Very high0 Ų041.4 Ų41.40%021%0.212CC..  trans-128.6-127.9-178.3-33.40000110.2D227 N254 H337 E413 V430D227-S411 WeakPolarHBondContact OD2-CB 3.4Å; N254-S411 WeakPolarHBondContact CB-OG 3.3Å; N254-S411 PolarHBondContact ND2-OG 2.94Å; N254-S411 PolarHBondContact O-OG 2.91Å; H337-S411 CarbonylContact O-C 3.02Å; H337-S411 PolarHBondContact O-N 3.34Å; S411-E413 PolarHBondContact O-N 3.22Å; S411-V430 WeakPolarHBondContact CA-O 3.22Å; S411-V430 WeakPolarHBondContact CB-O 3.2Å
412H98.1Very high98.3Very high10 Ų1036 Ų365%0.04619%0.192CC..SBendtrans69.1-17.6161.7-165.656.4000116.9D227 N288 H337 W371 D373 R385D227-H412 WeakPolarHBondContact OD1-CA 3.34Å; D227-H412 PolarHBondContact OD1-N 3.36Å; D227-H412 PolarHBondContact OD2-N 3.32Å; N288-H412 PolarHBondContact OD1-CE1 3.45Å; N288-H412 PolarHBondContact OD1-ND1 2.94Å; H337-H412 AromaticContact CD2-CG 3.97Å; H337-H412 AromaticContact CD2-ND1 3.71Å; H337-H412 WeakPolarHBondContact NE2-CB 3.37Å; H337-H412 AromaticContact NE2-CG 3.52Å; H337-H412 AromaticContact NE2-ND1 3.05Å; H337-H412 PolarHBondContact NE2-ND1 3.42Å; W371-H412 AromaticContact CE3-CE1 3.96Å; W371-H412 AromaticContact CE3-NE2 3.91Å; D373-H412 IonicContact OD1-CD2 3.32Å; D373-H412 PolarHBondContact OD1-CD2 3.46Å; R385-H412 VanDerWaalsContact CD-NE2 3.27Å; R385-H412 WeakPolarHBondContact CD-NE2 3.43Å; R385-H412 PolarHBondContact NE-CD2 3.47Å; R385-H412 PolarHBondContact NE-NE2 3Å; R385-H412 PolarHBondContact NH1-NE2 2.74Å; R385-H412 PolarHBondContact NH2-CD2 2.93Å; R385-H412 PolarHBondContact NH2-NE2 2.62Å; R385-H412 PolarHBondContact NH2-O 3.45Å
413E97.4Very high98.3Very high20 Ų2033.2 Ų33.29%0.09318%0.179CC..SBendtrans-119.8128.7173.5-76.7-174.3128.500111D373 K384 R385 R410 S411 K415 T429 F431D373-E413 WeakPolarHBondContact OD1-CG 3.41Å; K384-E413 IonicContact NZ-OE1 2.59Å; K384-E413 PolarHBondContact NZ-OE1 3.36Å; R385-E413 VanDerWaalsContact NH2-CG 3.27Å; R410-E413 VanDerWaalsContact NH1-CD 3.32Å; R410-E413 IonicContact NH1-OE2 2.68Å; R410-E413 PolarHBondContact NH1-OE2 2.85Å; S411-E413 PolarHBondContact O-N 3.22Å; E413-K415 PolarHBondContact O-N 2.94Å; E413-K415 IonicContact OE2-NZ 3.68Å; E413-K415 PolarHBondContact OE2-NZ 3.49Å; E413-T429 HydrophobicContact CB-CG2 4.25Å; E413-F431 WeakPolarHBondContact O-CD2 3.32Å
414V96.8Very high98.3Very high46 Ų4639.2 Ų39.228%0.27921%0.211SC..  trans-62.3129.4168.4-173.70000108.9F431 Y436 M440 N442V414-F431 HydrophobicContact CB-CE1 4.43Å; V414-F431 HydrophobicContact CG1-CD1 4.45Å; V414-F431 HydrophobicContact CG1-CE1 4.41Å; V414-F431 HydrophobicContact CG2-CD1 4.39Å; V414-F431 HydrophobicContact CG2-CE1 3.82Å; V414-F431 HydrophobicContact CG2-CE2 3.97Å; V414-F431 HydrophobicContact CG2-CZ 3.6Å; V414-Y436 HydrophobicContact CG2-CD1 3.59Å; V414-Y436 HydrophobicContact CG2-CE1 4Å; V414-Y436 HydrophobicContact CG2-CG 4.28Å; V414-M440 HydrophobicContact CG1-CE 4.43Å; V414-N442 HydrophobicContact CG1-CB 3.8Å; V414-N442 VanDerWaalsContact CG1-CG 3.49Å
415K97.7Very high98.3Very high32 Ų3238.9 Ų38.914%0.13921%0.208CC..  trans-124.1145.6172.2-58.7-64.1174.1172.10109E413 E417 G418 E420 T429E413-K415 PolarHBondContact O-N 2.94Å; E413-K415 IonicContact OE2-NZ 3.68Å; E413-K415 PolarHBondContact OE2-NZ 3.49Å; K415-E417 PolarHBondContact O-N 3.44Å; K415-G418 WeakPolarHBondContact O-CA 3.42Å; K415-G418 PolarHBondContact O-N 3.06Å; K415-E420 HydrophobicContact CB-CB 4.47Å; K415-E420 HydrophobicContact CD-CB 3.77Å; K415-E420 HydrophobicContact CD-CG 4.47Å; K415-E420 VanDerWaalsContact CE-OE2 3.27Å; K415-E420 WeakPolarHBondContact CE-OE2 3.48Å; K415-E420 HydrophobicContact CG-CB 3.84Å; K415-E420 IonicContact NZ-OE1 4Å; K415-E420 IonicContact NZ-OE2 3.73Å; K415-E420 PolarHBondContact NZ-OE2 3.05Å; K415-T429 HydrophobicContact CD-CG2 4.5Å; K415-T429 HydrophobicContact CG-CG2 3.84Å
416D97.5Very high98.3Very high117 Ų11741.8 Ų41.863%0.62622%0.218SC*.THydrogen-bonded Turntrans-57.5-45.8-171.4-170.448.2000112.5G418 R443D416-G418 VanDerWaalsContact C-N 3.27Å; D416-G418 PolarHBondContact O-N 3.37Å; D416-R443 PolarHBondContact O-N 3.37Å
417E98.5Very high98.3Very high84 Ų8440.2 Ų40.239%0.39321%0.21SC..THydrogen-bonded Turntrans-87.88.9175.6-70.6-62.9132.500113.4K415 Y419 R443 S464K415-E417 PolarHBondContact O-N 3.44Å; E417-Y419 HydrophobicContact CB-CD1 4.18Å; E417-Y419 HydrophobicContact CB-CE1 4Å; E417-Y419 WeakPolarHBondContact O-CD1 3.48Å; E417-Y419 PolarHBondContact O-N 3.09Å; E417-R443 WeakPolarHBondContact OE2-CD 3.27Å; E417-R443 IonicContact OE2-NE 3.27Å; E417-S464 VanDerWaalsContact O-CB 3.27Å; E417-S464 WeakPolarHBondContact O-CB 3.48Å; E417-S464 PolarHBondContact O-OG 3.19Å
418G98.7Very high98.3Very high0 Ų039.4 Ų39.40%021%0.207CC..SBendtrans75.70.4-173.700000114.1K415 D416 V430 F431 R443 A445K415-G418 WeakPolarHBondContact O-CA 3.42Å; K415-G418 PolarHBondContact O-N 3.06Å; D416-G418 VanDerWaalsContact C-N 3.27Å; D416-G418 PolarHBondContact O-N 3.37Å; G418-V430 CarbonylContact O-C 3.43Å; G418-F431 PolarHBondContact O-N 3.31Å; G418-R443 WeakPolarHBondContact CA-O 3.38Å; G418-R443 PolarHBondContact N-O 3.4Å; G418-A445 WeakPolarHBondContact O-CB 3.08Å
419Y98.8Very high98.3Very high78 Ų7839.4 Ų39.431%0.30621%0.207SC..EExtended strand (participates in β ladder)trans-151.1164.4173.975.1-84.2000111.8E417 V421 T429 A445 F462 S464E417-Y419 HydrophobicContact CB-CD1 4.18Å; E417-Y419 HydrophobicContact CB-CE1 4Å; E417-Y419 WeakPolarHBondContact O-CD1 3.48Å; E417-Y419 PolarHBondContact O-N 3.09Å; Y419-V421 HydrophobicContact CD2-CG2 4.46Å; Y419-T429 CarbonylContact C-O 3.53Å; Y419-T429 WeakPolarHBondContact CA-O 3.44Å; Y419-T429 VanDerWaalsContact CB-O 3.3Å; Y419-T429 WeakPolarHBondContact CB-O 3.37Å; Y419-A445 HydrophobicContact CD1-CB 4.07Å; Y419-F462 HydrophobicContact CD1-CB 3.74Å; Y419-F462 AromaticContact CD1-CD1 4Å; Y419-F462 HydrophobicContact CD1-CD1 4Å; Y419-F462 AromaticContact CD1-CG 3.92Å; Y419-F462 HydrophobicContact CD1-CG 3.92Å; Y419-F462 HydrophobicContact CD2-CB 4.22Å; Y419-F462 AromaticContact CD2-CD1 3.36Å; Y419-F462 HydrophobicContact CD2-CD1 3.36Å; Y419-F462 AromaticContact CD2-CD2 3.78Å; Y419-F462 HydrophobicContact CD2-CD2 3.78Å; Y419-F462 AromaticContact CD2-CE1 3.53Å; Y419-F462 HydrophobicContact CD2-CE1 3.53Å; Y419-F462 AromaticContact CD2-CE2 3.95Å; Y419-F462 HydrophobicContact CD2-CE2 3.95Å; Y419-F462 AromaticContact CD2-CG 3.49Å; Y419-F462 HydrophobicContact CD2-CG 3.49Å; Y419-F462 VanDerWaalsContact CD2-CG 3.49Å; Y419-F462 AromaticContact CD2-CZ 3.83Å; Y419-F462 HydrophobicContact CD2-CZ 3.83Å; Y419-F462 HydrophobicContact CE1-CB 3.59Å; Y419-F462 HydrophobicContact CE1-CD1 4.47Å; Y419-F462 HydrophobicContact CE1-CD2 4.48Å; Y419-F462 AromaticContact CE1-CG 3.95Å; Y419-F462 HydrophobicContact CE1-CG 3.95Å; Y419-F462 HydrophobicContact CE2-CB 4.1Å; Y419-F462 AromaticContact CE2-CD1 3.92Å; Y419-F462 HydrophobicContact CE2-CD1 3.92Å; Y419-F462 AromaticContact CE2-CD2 3.44Å; Y419-F462 HydrophobicContact CE2-CD2 3.44Å; Y419-F462 VanDerWaalsContact CE2-CD2 3.44Å; Y419-F462 HydrophobicContact CE2-CE1 4.21Å; Y419-F462 AromaticContact CE2-CE2 3.78Å; Y419-F462 HydrophobicContact CE2-CE2 3.78Å; Y419-F462 AromaticContact CE2-CG 3.52Å; Y419-F462 HydrophobicContact CE2-CG 3.52Å; Y419-F462 HydrophobicContact CE2-CZ 4.15Å; Y419-F462 HydrophobicContact CG-CB 4.06Å; Y419-F462 AromaticContact CG-CD1 3.41Å; Y419-F462 HydrophobicContact CG-CD1 3.41Å; Y419-F462 VanDerWaalsContact CG-CD1 3.41Å; Y419-F462 HydrophobicContact CG-CD2 4.44Å; Y419-F462 AromaticContact CG-CE1 3.93Å; Y419-F462 HydrophobicContact CG-CE1 3.93Å; Y419-F462 AromaticContact CG-CG 3.7Å; Y419-F462 HydrophobicContact CG-CG 3.7Å; Y419-F462 AromaticContact CZ-CD2 3.83Å; Y419-F462 AromaticContact CZ-CG 3.75Å; Y419-S464 WeakPolarHBondContact CE1-OG 3.42Å
420E98.6Very high98.3Very high77 Ų7739.4 Ų39.436%0.3621%0.207SC..EExtended strand (participates in β ladder)trans-150.2140.5171.2-178.7-179.4-10100110.1K415 I428 T429K415-E420 HydrophobicContact CB-CB 4.47Å; K415-E420 HydrophobicContact CD-CB 3.77Å; K415-E420 HydrophobicContact CD-CG 4.47Å; K415-E420 VanDerWaalsContact CE-OE2 3.27Å; K415-E420 WeakPolarHBondContact CE-OE2 3.48Å; K415-E420 HydrophobicContact CG-CB 3.84Å; K415-E420 IonicContact NZ-OE1 4Å; K415-E420 IonicContact NZ-OE2 3.73Å; K415-E420 PolarHBondContact NZ-OE2 3.05Å; E420-I428 CarbonylContact O-C 3.55Å; E420-I428 WeakPolarHBondContact O-CA 3.34Å; E420-T429 PolarHBondContact N-O 3.26Å; E420-T429 PolarHBondContact O-N 3.35Å
421V98.6Very high98.3Very high73 Ų7339.5 Ų39.544%0.44221%0.207SC..EExtended strand (participates in β ladder)trans-107.6111.2172.5-178.40000108.3Y419 F462Y419-V421 HydrophobicContact CD2-CG2 4.46Å; V421-F462 HydrophobicContact CG2-CE1 4.49Å; V421-F462 HydrophobicContact CG2-CE2 3.79Å; V421-F462 HydrophobicContact CG2-CZ 3.51Å
422A98.4Very high98.3Very high21 Ų2139.5 Ų39.517%0.17421%0.207CC..EExtended strand (participates in β ladder)trans-118.7176.7-176.100000111.6N424 G425 R426 C427A422-N424 PolarHBondContact O-N 2.94Å; A422-G425 PolarHBondContact O-N 3.13Å; A422-R426 PolarHBondContact O-N 2.89Å; A422-C427 HydrophobicContact CB-CB 4.48Å; A422-C427 PolarHBondContact N-O 3.23Å; A422-C427 PolarHBondContact O-N 3.37Å
423H98.6Very high98.3Very high17 Ų1739 Ų398%0.07921%0.205CC..G310 helixtrans51.550.6172.9-57.8178.3000113.2P374 M375 F391 P393 T396 G425 R426 C427P374-H423 VanDerWaalsContact CB-CE1 3.47Å; P374-H423 WeakPolarHBondContact CB-CE1 3.27Å; M375-H423 PolarHBondContact O-NE2 3Å; F391-H423 AromaticContact CD2-CE1 3.83Å; F391-H423 AromaticContact CE2-CE1 3.77Å; F391-H423 PolarHBondContact O-CE1 3.48Å; P393-H423 HydrophobicContact CB-CB 3.93Å; T396-H423 HydrophobicContact CG2-CB 4.3Å; T396-H423 PolarHBondContact OG1-ND1 3.47Å; H423-G425 VanDerWaalsContact C-N 3.25Å; H423-G425 PolarHBondContact O-N 3.17Å; H423-R426 WeakPolarHBondContact O-CB 3.07Å; H423-R426 PolarHBondContact O-N 2.97Å; H423-R426 VanDerWaalsContact O-N 3.09Å; H423-C427 HydrophobicContact CB-CB 3.88Å
424N97.6Very high98.4Very high153 Ų15338.1 Ų38.182%0.81820%0.201SC*.G310 helixtrans57.135.7-179.4-53.1-51.3000113.5A422 R426A422-N424 PolarHBondContact O-N 2.94Å; N424-R426 VanDerWaalsContact C-N 3.33Å
425G97.7Very high98.4Very high32 Ų3237.7 Ų37.733%0.3320%0.197SC..G310 helixtrans84.22.5-179.600000114.8A422 H423A422-G425 PolarHBondContact O-N 3.13Å; H423-G425 VanDerWaalsContact C-N 3.25Å; H423-G425 PolarHBondContact O-N 3.17Å
426R98.3Very high98.3Very high67 Ų6736.9 Ų36.925%0.25319%0.193SC..THydrogen-bonded Turntrans-94-11.2-178.7-68.3-169.3172-106.30.2114.9T396 L405 D406 Y407 I408 A422 H423 N424T396-R426 HydrophobicContact CG2-CB 3.77Å; L405-R426 PolarHBondContact O-NH1 3.31Å; D406-R426 PolarHBondContact O-NH1 2.72Å; Y407-R426 WeakPolarHBondContact CA-O 3.5Å; Y407-R426 WeakPolarHBondContact CB-O 3.45Å; I408-R426 WeakPolarHBondContact CG1-O 3.09Å; I408-R426 PolarHBondContact N-O 3.27Å; A422-R426 PolarHBondContact O-N 2.89Å; H423-R426 WeakPolarHBondContact O-CB 3.07Å; H423-R426 PolarHBondContact O-N 2.97Å; H423-R426 VanDerWaalsContact O-N 3.09Å; N424-R426 VanDerWaalsContact C-N 3.33Å
427C98.8Very high98Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-127.5120175.1-174.10000109.1T396 I408 A422 H423T396-C427 HydrophobicContact CG2-CB 4.11Å; I408-C427 HydrophobicContact CD1-CB 4.47Å; I408-C427 HydrophobicContact CG1-CB 4.21Å; A422-C427 HydrophobicContact CB-CB 4.48Å; A422-C427 PolarHBondContact N-O 3.23Å; A422-C427 PolarHBondContact O-N 3.37Å; H423-C427 HydrophobicContact CB-CB 3.88Å
428I98.9Very high97.8Very high1 Ų131.4 Ų31.41%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-117125.6179.9-59.6169.5000108.5Y407 I408 I409 R410 E420 I447 P460 F462Y407-I428 HydrophobicContact CD2-CD1 3.53Å; Y407-I428 HydrophobicContact CD2-CG1 4.33Å; Y407-I428 HydrophobicContact CE2-CD1 3.47Å; Y407-I428 VanDerWaalsContact CE2-CD1 3.47Å; Y407-I428 HydrophobicContact CG-CD1 4.23Å; I408-I428 PolarHBondContact O-N 2.81Å; I409-I428 CarbonylContact C-O 3.45Å; I409-I428 WeakPolarHBondContact CA-O 2.98Å; I409-I428 HydrophobicContact CG1-CB 4.41Å; I409-I428 HydrophobicContact CG1-CD1 4.46Å; R410-I428 PolarHBondContact N-O 2.96Å; E420-I428 CarbonylContact O-C 3.55Å; E420-I428 WeakPolarHBondContact O-CA 3.34Å; I428-I447 HydrophobicContact CG2-CD1 3.74Å; I428-P460 HydrophobicContact CD1-CB 3.87Å; I428-P460 HydrophobicContact CD1-CG 3.56Å; I428-F462 HydrophobicContact CG2-CE1 3.68Å; I428-F462 HydrophobicContact CG2-CZ 3.96Å
429T98.9Very high97.3Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-96.3135.3169.8-56.60000109.4R410 E413 K415 Y419 E420R410-T429 VanDerWaalsContact CD-OG1 3.24Å; R410-T429 WeakPolarHBondContact CD-OG1 3.34Å; R410-T429 CarbonylContact O-C 3.59Å; R410-T429 VanDerWaalsContact O-CA 3.25Å; R410-T429 WeakPolarHBondContact O-CA 3.44Å; E413-T429 HydrophobicContact CB-CG2 4.25Å; K415-T429 HydrophobicContact CD-CG2 4.5Å; K415-T429 HydrophobicContact CG-CG2 3.84Å; Y419-T429 CarbonylContact C-O 3.53Å; Y419-T429 WeakPolarHBondContact CA-O 3.44Å; Y419-T429 VanDerWaalsContact CB-O 3.3Å; Y419-T429 WeakPolarHBondContact CB-O 3.37Å; E420-T429 PolarHBondContact N-O 3.26Å; E420-T429 PolarHBondContact O-N 3.35Å
430V98.9Very high96.9Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-130.4135.6169.860.70000110.2I409 R410 S411 G418 A445 I447I409-V430 HydrophobicContact CG2-CG1 3.92Å; R410-V430 PolarHBondContact O-N 3.3Å; S411-V430 WeakPolarHBondContact CA-O 3.22Å; S411-V430 WeakPolarHBondContact CB-O 3.2Å; G418-V430 CarbonylContact O-C 3.43Å; V430-A445 WeakPolarHBondContact CG2-O 3.34Å; V430-I447 HydrophobicContact CB-CD1 3.82Å; V430-I447 HydrophobicContact CB-CG1 4.12Å; V430-I447 HydrophobicContact CG1-CD1 3.93Å; V430-I447 HydrophobicContact CG2-CD1 4.35Å; V430-I447 HydrophobicContact CG2-CG1 4.11Å
431F98.8Very high96.7Very high2 Ų240.5 Ų40.51%0.00922%0.221CC..BIsolated β-bridgetrans-136.6117-178.6-163.8-93.8000107.9D227 H229 E413 V414 G418 A433 Y436 G444 A445D227-F431 HydrophobicContact CB-CD2 3.64Å; D227-F431 HydrophobicContact CB-CE2 3.39Å; D227-F431 HydrophobicContact CB-CG 4.34Å; D227-F431 HydrophobicContact CB-CZ 3.9Å; D227-F431 VanDerWaalsContact OD1-CE2 3.25Å; D227-F431 WeakPolarHBondContact OD1-CE2 3.35Å; D227-F431 WeakPolarHBondContact OD2-CD2 3.46Å; H229-F431 AromaticContact CD2-CZ 3.92Å; E413-F431 WeakPolarHBondContact O-CD2 3.32Å; V414-F431 HydrophobicContact CB-CE1 4.43Å; V414-F431 HydrophobicContact CG1-CD1 4.45Å; V414-F431 HydrophobicContact CG1-CE1 4.41Å; V414-F431 HydrophobicContact CG2-CD1 4.39Å; V414-F431 HydrophobicContact CG2-CE1 3.82Å; V414-F431 HydrophobicContact CG2-CE2 3.97Å; V414-F431 HydrophobicContact CG2-CZ 3.6Å; G418-F431 PolarHBondContact O-N 3.31Å; F431-A433 HydrophobicContact CD1-CB 3.98Å; F431-A433 WeakPolarHBondContact CD1-O 3.36Å; F431-A433 HydrophobicContact CE1-CB 3.38Å; F431-A433 WeakPolarHBondContact CE1-O 3.33Å; F431-A433 HydrophobicContact CZ-CB 4Å; F431-Y436 HydrophobicContact CE1-CD2 4.14Å; F431-Y436 HydrophobicContact CE1-CG 4.03Å; F431-Y436 HydrophobicContact CZ-CD1 4.29Å; F431-Y436 HydrophobicContact CZ-CD2 4.02Å; F431-Y436 HydrophobicContact CZ-CE1 4.38Å; F431-Y436 HydrophobicContact CZ-CE2 4.12Å; F431-Y436 HydrophobicContact CZ-CG 4.07Å; F431-G444 CarbonylContact O-C 3.58Å; F431-G444 WeakPolarHBondContact O-CA 3.48Å; F431-A445 PolarHBondContact O-N 2.83Å
432S98.9Very high96.6Very high0 Ų037.3 Ų37.30%020%0.202CC..  trans-99.97-169.7-61.40000113.7G226 D227 P434 A445 F465G226-S432 PolarHBondContact N-OG 3.13Å; D227-S432 CarbonylContact O-C 3.54Å; D227-S432 WeakPolarHBondContact O-CA 3.4Å; D227-S432 VanDerWaalsContact O-CB 3.25Å; D227-S432 WeakPolarHBondContact O-CB 3.43Å; D227-S432 PolarHBondContact O-N 3.39Å; S432-P434 WeakPolarHBondContact O-CD 3.32Å; S432-A445 WeakPolarHBondContact CA-O 3.3Å; S432-A445 WeakPolarHBondContact CB-O 3.45Å; S432-A445 PolarHBondContact OG-O 2.92Å; S432-F465 WeakPolarHBondContact O-CZ 3.11Å
433A98.6Very high96.6Very high0 Ų040.3 Ų40.30%021%0.209CC..  trans-99.696.8179.300000110.6D227 F431 Y436 N442D227-A433 PolarHBondContact O-N 2.82Å; F431-A433 HydrophobicContact CD1-CB 3.98Å; F431-A433 WeakPolarHBondContact CD1-O 3.36Å; F431-A433 HydrophobicContact CE1-CB 3.38Å; F431-A433 WeakPolarHBondContact CE1-O 3.33Å; F431-A433 HydrophobicContact CZ-CB 4Å; A433-Y436 HydrophobicContact CB-CD2 4.14Å; A433-N442 PolarHBondContact O-ND2 3.03Å
434P98.5Very high96.6Very high0 Ų039.5 Ų39.50%021%0.205CC..THydrogen-bonded Turntrans-75.1155.1177.833.5-37.9000111.8Q231 D234 S432 Y436 F465 A467Q231-P434 PolarHBondContact NE2-O 3.05Å; D234-P434 HydrophobicContact CB-CG 3.89Å; D234-P434 VanDerWaalsContact CG-CG 3.43Å; D234-P434 WeakPolarHBondContact OD1-CG 3.39Å; S432-P434 WeakPolarHBondContact O-CD 3.32Å; P434-Y436 PolarHBondContact O-N 2.75Å; P434-Y436 VanDerWaalsContact O-N 3.16Å; P434-F465 HydrophobicContact CB-CE2 4.42Å; P434-F465 HydrophobicContact CG-CD2 4.19Å; P434-F465 HydrophobicContact CG-CE2 3.8Å; P434-A467 HydrophobicContact CB-CB 3.85Å; P434-A467 VanDerWaalsContact CG-CA 3.47Å; P434-A467 HydrophobicContact CG-CB 3.78Å
435N97.1Very high96.7Very high37 Ų3732.2 Ų32.220%0.19817%0.166CC..THydrogen-bonded Turntrans41.649.5-176.6-168.545.4000111.4C437 D438 H441 N442 A467N435-C437 PolarHBondContact O-N 2.92Å; N435-D438 WeakPolarHBondContact ND2-CA 3.36Å; N435-D438 PolarHBondContact ND2-O 3.47Å; N435-D438 VanDerWaalsContact O-CA 3.25Å; N435-D438 WeakPolarHBondContact O-CA 3.45Å; N435-D438 PolarHBondContact O-N 3.36Å; N435-H441 WeakPolarHBondContact OD1-CA 3.45Å; N435-H441 PolarHBondContact OD1-N 2.75Å; N435-H441 VanDerWaalsContact OD1-N 3.07Å; N435-H441 PolarHBondContact OD1-ND1 2.85Å; N435-N442 PolarHBondContact N-O 3.39Å; N435-A467 HydrophobicContact CB-CB 3.67Å
436Y95.2Very high96.8Very high16 Ų1630.8 Ų30.86%0.06315%0.15CC..G310 helixtrans-52.9136-168.6179.3-125.1000111.6H229 R260 V414 F431 A433 P434 D438 T439 M440 N442H229-Y436 HydrophobicContact CB-CD2 4.45Å; H229-Y436 HydrophobicContact CB-CE2 3.73Å; H229-Y436 AromaticContact CD2-CE2 3.2Å; H229-Y436 WeakPolarHBondContact CD2-CE2 3.29Å; H229-Y436 AromaticContact CD2-CZ 3.55Å; H229-Y436 PolarHBondContact CD2-OH 3.19Å; H229-Y436 VanDerWaalsContact CD2-OH 3.26Å; H229-Y436 AromaticContact CG-CE2 3.6Å; H229-Y436 AromaticContact NE2-CE2 3.87Å; H229-Y436 AromaticContact NE2-CZ 3.71Å; H229-Y436 PolarHBondContact NE2-OH 3.05Å; R260-Y436 HydrophobicContact CB-CE2 4.19Å; R260-Y436 WeakPolarHBondContact CD-OH 3.48Å; R260-Y436 HydrophobicContact CG-CE2 4.01Å; R260-Y436 WeakPolarHBondContact CG-OH 3.4Å; R260-Y436 PolarHBondContact NE-OH 3.16Å; R260-Y436 PolarHBondContact NH2-OH 3.23Å; V414-Y436 HydrophobicContact CG2-CD1 3.59Å; V414-Y436 HydrophobicContact CG2-CE1 4Å; V414-Y436 HydrophobicContact CG2-CG 4.28Å; F431-Y436 HydrophobicContact CE1-CD2 4.14Å; F431-Y436 HydrophobicContact CE1-CG 4.03Å; F431-Y436 HydrophobicContact CZ-CD1 4.29Å; F431-Y436 HydrophobicContact CZ-CD2 4.02Å; F431-Y436 HydrophobicContact CZ-CE1 4.38Å; F431-Y436 HydrophobicContact CZ-CE2 4.12Å; F431-Y436 HydrophobicContact CZ-CG 4.07Å; A433-Y436 HydrophobicContact CB-CD2 4.14Å; P434-Y436 PolarHBondContact O-N 2.75Å; P434-Y436 VanDerWaalsContact O-N 3.16Å; Y436-D438 PolarHBondContact O-N 3.22Å; Y436-D438 VanDerWaalsContact O-N 3.11Å; Y436-T439 PolarHBondContact O-N 3.41Å; Y436-M440 HydrophobicContact CD1-CG 4.04Å; Y436-M440 HydrophobicContact CG-CG 4.49Å; Y436-M440 WeakPolarHBondContact O-CB 3.25Å; Y436-M440 WeakPolarHBondContact O-CG 3.37Å; Y436-M440 PolarHBondContact O-N 3.42Å; Y436-M440 VanDerWaalsContact O-N 3.1Å; Y436-N442 WeakPolarHBondContact CB-OD1 3.43Å; Y436-N442 PolarHBondContact N-OD1 2.67Å
437C91.8Very high96.8Very high32 Ų3227.6 Ų27.622%0.21614%0.138CC..G310 helixtrans52.925-173.3-63.40000114.9N435 T439N435-C437 PolarHBondContact O-N 2.92Å; C437-T439 PolarHBondContact O-N 2.84Å; C437-T439 VanDerWaalsContact O-N 3.14Å
438D93Very high96.8Very high54 Ų5428.2 Ų28.229%0.28914%0.142SC..G310 helixtrans62.18-177-61.3-15.8000115.9N435 Y436 H470 P475N435-D438 WeakPolarHBondContact ND2-CA 3.36Å; N435-D438 PolarHBondContact ND2-O 3.47Å; N435-D438 VanDerWaalsContact O-CA 3.25Å; N435-D438 WeakPolarHBondContact O-CA 3.45Å; N435-D438 PolarHBondContact O-N 3.36Å; Y436-D438 PolarHBondContact O-N 3.22Å; Y436-D438 VanDerWaalsContact O-N 3.11Å; D438-H470 IonicContact OD1-CE1 3.65Å; D438-H470 IonicContact OD1-NE2 2.79Å; D438-H470 PolarHBondContact OD1-NE2 3.08Å; D438-H470 IonicContact OD2-CE1 2.71Å; D438-H470 PolarHBondContact OD2-CE1 3.44Å; D438-H470 IonicContact OD2-NE2 2.76Å; D438-P475 HydrophobicContact CB-CG 4.07Å; D438-P475 WeakPolarHBondContact OD2-CD 3.36Å; D438-P475 WeakPolarHBondContact OD2-CG 3.29Å
439T89.9Confident96.8Very high95 Ų9528.1 Ų28.158%0.58314%0.142SC*.THydrogen-bonded Turntrans-130.5-19.4-172.258.40000114.5Y436 C437 H441Y436-T439 PolarHBondContact O-N 3.41Å; C437-T439 PolarHBondContact O-N 2.84Å; C437-T439 VanDerWaalsContact O-N 3.14Å; T439-H441 PolarHBondContact O-CD2 3.28Å
440M89.2Confident96.7Very high101 Ų10131.4 Ų31.450%0.49816%0.159SC..SBendtrans-80.4-17.9-171.6-66.4-63.9-71.300114V414 Y436 N442V414-M440 HydrophobicContact CG1-CE 4.43Å; Y436-M440 HydrophobicContact CD1-CG 4.04Å; Y436-M440 HydrophobicContact CG-CG 4.49Å; Y436-M440 WeakPolarHBondContact O-CB 3.25Å; Y436-M440 WeakPolarHBondContact O-CG 3.37Å; Y436-M440 PolarHBondContact O-N 3.42Å; Y436-M440 VanDerWaalsContact O-N 3.1Å; M440-N442 WeakPolarHBondContact CB-OD1 3.31Å; M440-N442 PolarHBondContact O-N 3.12Å
441H94.2Very high96.7Very high149 Ų14931.6 Ų31.669%0.6916%0.161SC*.  trans57.74.3178.6-53.8-42.4000116.5N435 T439N435-H441 WeakPolarHBondContact OD1-CA 3.45Å; N435-H441 PolarHBondContact OD1-N 2.75Å; N435-H441 VanDerWaalsContact OD1-N 3.07Å; N435-H441 PolarHBondContact OD1-ND1 2.85Å; T439-H441 PolarHBondContact O-CD2 3.28Å
442N97.6Very high96.6Very high6 Ų632.1 Ų32.13%0.03217%0.165CC..PPolyproline II helixtrans-63.9160.8173.770-70.7000111.4V414 A433 N435 Y436 M440V414-N442 HydrophobicContact CG1-CB 3.8Å; V414-N442 VanDerWaalsContact CG1-CG 3.49Å; A433-N442 PolarHBondContact O-ND2 3.03Å; N435-N442 PolarHBondContact N-O 3.39Å; Y436-N442 WeakPolarHBondContact CB-OD1 3.43Å; Y436-N442 PolarHBondContact N-OD1 2.67Å; M440-N442 WeakPolarHBondContact CB-OD1 3.31Å; M440-N442 PolarHBondContact O-N 3.12Å
443R98.6Very high96.3Very high85 Ų8536.4 Ų36.432%0.32119%0.187SC..PPolyproline II helixtrans-86.6158.5165.7-58.8178.170.5120.5-3.4110D416 E417 G418 S464 F465D416-R443 PolarHBondContact O-N 3.37Å; E417-R443 WeakPolarHBondContact OE2-CD 3.27Å; E417-R443 IonicContact OE2-NE 3.27Å; G418-R443 WeakPolarHBondContact CA-O 3.38Å; G418-R443 PolarHBondContact N-O 3.4Å; R443-S464 PolarHBondContact NH2-O 2.97Å; R443-F465 WeakPolarHBondContact CA-O 3.23Å; R443-F465 WeakPolarHBondContact CB-O 3.49Å
444G98.8Very high96Very high0 Ų041.6 Ų41.60%021%0.212CC..EExtended strand (participates in β ladder)trans-94.2155.7163.900000108.9F431 S464 F465F431-G444 CarbonylContact O-C 3.58Å; F431-G444 WeakPolarHBondContact O-CA 3.48Å; G444-S464 CarbonylContact O-C 3.55Å; G444-S464 WeakPolarHBondContact O-CA 3.08Å; G444-F465 VanDerWaalsContact C-CE1 3.48Å; G444-F465 PolarHBondContact N-O 3.13Å; G444-F465 WeakPolarHBondContact O-CD1 3.33Å; G444-F465 PolarHBondContact O-N 3.32Å
445A98.9Very high95.6Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-142.2162.1171.200000112.5G418 Y419 V430 F431 S432 T463G418-A445 WeakPolarHBondContact O-CB 3.08Å; Y419-A445 HydrophobicContact CD1-CB 4.07Å; V430-A445 WeakPolarHBondContact CG2-O 3.34Å; F431-A445 PolarHBondContact O-N 2.83Å; S432-A445 WeakPolarHBondContact CA-O 3.3Å; S432-A445 WeakPolarHBondContact CB-O 3.45Å; S432-A445 PolarHBondContact OG-O 2.92Å; A445-T463 VanDerWaalsContact CA-O 3.26Å; A445-T463 WeakPolarHBondContact CA-O 3.14Å
446F98.9Very high95.4Very high1 Ų145.5 Ų45.50%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-132.3156.4163.657.7-99000109.9T223 V224 I238 I241 N242 T463 F465T223-F446 HydrophobicContact CG2-CB 4.08Å; T223-F446 HydrophobicContact CG2-CD2 3.73Å; T223-F446 HydrophobicContact CG2-CG 4.13Å; V224-F446 WeakPolarHBondContact O-CA 3.39Å; I238-F446 HydrophobicContact CG2-CD1 4.09Å; I238-F446 HydrophobicContact CG2-CE1 4.49Å; I241-F446 HydrophobicContact CB-CE1 4.47Å; I241-F446 HydrophobicContact CG2-CE1 4.04Å; I241-F446 HydrophobicContact CG2-CZ 3.87Å; N242-F446 HydrophobicContact CB-CE1 4.05Å; N242-F446 HydrophobicContact CB-CE2 3.89Å; N242-F446 HydrophobicContact CB-CZ 3.55Å; N242-F446 VanDerWaalsContact CG-CE2 3.5Å; N242-F446 VanDerWaalsContact OD1-CE2 3.29Å; N242-F446 WeakPolarHBondContact OD1-CE2 3.32Å; F446-T463 HydrophobicContact CE1-CG2 3.9Å; F446-T463 VanDerWaalsContact CE2-CB 3.48Å; F446-T463 HydrophobicContact CE2-CG2 4.07Å; F446-T463 HydrophobicContact CZ-CG2 3.45Å; F446-T463 VanDerWaalsContact CZ-CG2 3.45Å; F446-T463 PolarHBondContact N-O 3.32Å; F446-T463 VanDerWaalsContact N-O 3.16Å; F446-T463 PolarHBondContact O-N 3.04Å; F446-F465 HydrophobicContact CD1-CD1 4.16Å; F446-F465 AromaticContact CD1-CE1 3.87Å; F446-F465 HydrophobicContact CD1-CE1 3.87Å; F446-F465 HydrophobicContact CE1-CD1 4.23Å; F446-F465 HydrophobicContact CE1-CE1 4.36Å
447I98.9Very high95.4Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-100.8130178.7-58.2167.6000108.5T223 V224 I409 I428 V430 L449 P460 M461 F462T223-I447 CarbonylContact C-O 3.53Å; T223-I447 VanDerWaalsContact CA-O 3.27Å; T223-I447 WeakPolarHBondContact CA-O 3.5Å; V224-I447 HydrophobicContact CB-CB 4.29Å; V224-I447 PolarHBondContact N-O 3.43Å; V224-I447 PolarHBondContact O-N 3.05Å; I409-I447 HydrophobicContact CD1-CD1 3.99Å; I409-I447 HydrophobicContact CG1-CD1 4.28Å; I409-I447 HydrophobicContact CG2-CD1 3.67Å; I428-I447 HydrophobicContact CG2-CD1 3.74Å; V430-I447 HydrophobicContact CB-CD1 3.82Å; V430-I447 HydrophobicContact CB-CG1 4.12Å; V430-I447 HydrophobicContact CG1-CD1 3.93Å; V430-I447 HydrophobicContact CG2-CD1 4.35Å; V430-I447 HydrophobicContact CG2-CG1 4.11Å; I447-L449 HydrophobicContact CG2-CD2 3.91Å; I447-L449 HydrophobicContact CG2-CG 4.16Å; I447-P460 HydrophobicContact CG2-CB 3.75Å; I447-M461 CarbonylContact C-O 3.45Å; I447-M461 WeakPolarHBondContact CA-O 3.5Å; I447-F462 HydrophobicContact CD1-CE1 4.13Å; I447-F462 HydrophobicContact CG1-CD1 3.84Å; I447-F462 HydrophobicContact CG1-CE1 3.78Å
448T98.8Very high95.6Very high13 Ų1349.1 Ų49.18%0.0826%0.262CS..EExtended strand (participates in β ladder)trans-103.3126.7165.7-60.40000109.4K221 M461K221-T448 HydrophobicContact CD-CG2 4.25Å; K221-T448 HydrophobicContact CG-CG2 3.65Å; T448-M461 HydrophobicContact CG2-CE 3.75Å; T448-M461 PolarHBondContact N-O 2.88Å; T448-M461 WeakPolarHBondContact O-CB 3.28Å; T448-M461 PolarHBondContact O-N 3.45Å
449L98.7Very high95.9Very high0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-108.6147.7171.4-57.9174.4000109.4K221 F222 V224 I329 I333 Y407 I409 I447 M458 P460K221-L449 WeakPolarHBondContact CA-O 3.42Å; F222-L449 HydrophobicContact CB-CB 4.5Å; F222-L449 PolarHBondContact N-O 3.21Å; F222-L449 PolarHBondContact O-N 2.9Å; V224-L449 HydrophobicContact CG2-CD1 4.37Å; I329-L449 HydrophobicContact CD1-CD1 3.95Å; I333-L449 HydrophobicContact CD1-CD1 3.97Å; I333-L449 HydrophobicContact CD1-CD2 4.4Å; Y407-L449 WeakPolarHBondContact OH-CD2 3.33Å; I409-L449 HydrophobicContact CD1-CD1 4.41Å; I447-L449 HydrophobicContact CG2-CD2 3.91Å; I447-L449 HydrophobicContact CG2-CG 4.16Å; L449-M458 HydrophobicContact CB-CE 4.04Å; L449-M458 HydrophobicContact CD1-CE 4.32Å; L449-P460 HydrophobicContact CD2-CB 4.28Å
450I98.3Very high96.3Very high69 Ų6947.3 Ų47.335%0.35426%0.256SS..EExtended strand (participates in β ladder)trans-109.9123.7168.7-56.3-58.2000107.3S220 S452 M458 M461S220-I450 WeakPolarHBondContact O-CA 3.14Å; I450-S452 PolarHBondContact O-N 3.45Å; I450-M458 WeakPolarHBondContact O-CG 3.2Å; I450-M461 HydrophobicContact CD1-CE 3.96Å; I450-M461 HydrophobicContact CG1-CE 3.72Å
451G98.1Very high96.7Very high4 Ų447 Ų474%0.04126%0.255CS..  trans-58.7134.2-178.800000112.3E218 K219 S220E218-G451 CarbonylContact C-O 3.44Å; E218-G451 WeakPolarHBondContact CA-O 2.97Å; K219-G451 PolarHBondContact N-O 2.95Å; S220-G451 PolarHBondContact O-N 3.11Å
452S97.6Very high96.9Very high13 Ų1342.3 Ų42.39%0.09123%0.232CC..  trans-144.9149.8167.4-174.80000108.1N330 I450 E454 E457N330-S452 PolarHBondContact ND2-O 3.39Å; I450-S452 PolarHBondContact O-N 3.45Å; S452-E454 PolarHBondContact OG-N 2.78Å; S452-E457 PolarHBondContact OG-OE2 3.41Å
453D91.6Very high97Very high89 Ų8944.5 Ų44.548%0.47625%0.246SC..SBendtrans-89.3-11.2171.3-69.8-26.8000111.2
454E92.9Very high97Very high110 Ų11041.7 Ų41.751%0.51424%0.239SC..SBendtrans-84.5135.7-179.2-64.4-62.9156.600112.3S452 G456 E457S452-E454 PolarHBondContact OG-N 2.78Å; E454-G456 PolarHBondContact O-N 3.42Å; E454-E457 HydrophobicContact CB-CB 4.27Å; E454-E457 HydrophobicContact CB-CG 3.7Å; E454-E457 PolarHBondContact O-N 3.46Å
455P90.2Very high97Very high72 Ų7242.1 Ų42.147%0.46824%0.241SC..THydrogen-bonded Turntrans-56.8135.6177.57.9-13.2000112.9R332 E457R332-P455 VanDerWaalsContact NH2-CD 3.31Å; P455-E457 PolarHBondContact O-N 3.29Å
456G92.1Very high97Very high46 Ų4646.2 Ų46.247%0.47427%0.267SS..THydrogen-bonded Turntrans74.4-0.617500000115.4D406 E454D406-G456 PolarHBondContact OD1-N 2.69Å; D406-G456 PolarHBondContact OD2-N 3.33Å; E454-G456 PolarHBondContact O-N 3.42Å
457E94.5Very high96.9Very high123 Ų12348 Ų4858%0.57528%0.282SS*.  trans-86.5-16.3-179.1-68.8-161.1166.200114S452 E454 P455 S459S452-E457 PolarHBondContact OG-OE2 3.41Å; E454-E457 HydrophobicContact CB-CB 4.27Å; E454-E457 HydrophobicContact CB-CG 3.7Å; E454-E457 PolarHBondContact O-N 3.46Å; P455-E457 PolarHBondContact O-N 3.29Å; E457-S459 PolarHBondContact O-N 3.38Å
458M97.9Very high96.9Very high2 Ų249.9 Ų49.91%0.0129%0.293CS..  trans-81.567.2175.9-64.7-168.46600110.9V216 I329 N330 I333 Y407 L449 I450V216-M458 HydrophobicContact CB-CE 4.42Å; I329-M458 HydrophobicContact CG2-CE 3.78Å; N330-M458 HydrophobicContact CB-SD 3.71Å; I333-M458 HydrophobicContact CD1-CB 3.79Å; I333-M458 HydrophobicContact CD1-CE 4.33Å; I333-M458 HydrophobicContact CD1-SD 4.36Å; Y407-M458 PolarHBondContact OH-O 3.09Å; L449-M458 HydrophobicContact CB-CE 4.04Å; L449-M458 HydrophobicContact CD1-CE 4.32Å; I450-M458 WeakPolarHBondContact O-CG 3.2Å
459S97.4Very high96.8Very high77 Ų7755.1 Ų55.154%0.53833%0.327SS..  trans-71.4138178.9-69.50000112.5E457E457-S459 PolarHBondContact O-N 3.38Å
460P98.1Very high96.7Very high34 Ų3458.3 Ų58.322%0.22134%0.342CS..  trans-73129.2178.533.4-38.9000111.7I428 I447 L449 F462I428-P460 HydrophobicContact CD1-CB 3.87Å; I428-P460 HydrophobicContact CD1-CG 3.56Å; I447-P460 HydrophobicContact CG2-CB 3.75Å; L449-P460 HydrophobicContact CD2-CB 4.28Å; P460-F462 HydrophobicContact CB-CE1 4.23Å; P460-F462 HydrophobicContact CB-CE2 4.2Å; P460-F462 HydrophobicContact CB-CZ 3.74Å; P460-F462 HydrophobicContact CG-CE2 4.14Å; P460-F462 HydrophobicContact CG-CZ 3.84Å
461M98.6Very high96.6Very high93 Ų9356.2 Ų56.246%0.45833%0.333SS..EExtended strand (participates in β ladder)trans-109.6125.4169.5-61.3-177.6-64.700109.9I447 T448 I450I447-M461 CarbonylContact C-O 3.45Å; I447-M461 WeakPolarHBondContact CA-O 3.5Å; T448-M461 HydrophobicContact CG2-CE 3.75Å; T448-M461 PolarHBondContact N-O 2.88Å; T448-M461 WeakPolarHBondContact O-CB 3.28Å; T448-M461 PolarHBondContact O-N 3.45Å; I450-M461 HydrophobicContact CD1-CE 3.96Å; I450-M461 HydrophobicContact CG1-CE 3.72Å
462F98.8Very high96.5Very high51 Ų5164.1 Ų64.122%0.22437%0.374CS..EExtended strand (participates in β ladder)trans-97.3138.3-175.5-52.2-81.3000111.2Y419 V421 I428 I447 P460Y419-F462 HydrophobicContact CD1-CB 3.74Å; Y419-F462 AromaticContact CD1-CD1 4Å; Y419-F462 HydrophobicContact CD1-CD1 4Å; Y419-F462 AromaticContact CD1-CG 3.92Å; Y419-F462 HydrophobicContact CD1-CG 3.92Å; Y419-F462 HydrophobicContact CD2-CB 4.22Å; Y419-F462 AromaticContact CD2-CD1 3.36Å; Y419-F462 HydrophobicContact CD2-CD1 3.36Å; Y419-F462 AromaticContact CD2-CD2 3.78Å; Y419-F462 HydrophobicContact CD2-CD2 3.78Å; Y419-F462 AromaticContact CD2-CE1 3.53Å; Y419-F462 HydrophobicContact CD2-CE1 3.53Å; Y419-F462 AromaticContact CD2-CE2 3.95Å; Y419-F462 HydrophobicContact CD2-CE2 3.95Å; Y419-F462 AromaticContact CD2-CG 3.49Å; Y419-F462 HydrophobicContact CD2-CG 3.49Å; Y419-F462 VanDerWaalsContact CD2-CG 3.49Å; Y419-F462 AromaticContact CD2-CZ 3.83Å; Y419-F462 HydrophobicContact CD2-CZ 3.83Å; Y419-F462 HydrophobicContact CE1-CB 3.59Å; Y419-F462 HydrophobicContact CE1-CD1 4.47Å; Y419-F462 HydrophobicContact CE1-CD2 4.48Å; Y419-F462 AromaticContact CE1-CG 3.95Å; Y419-F462 HydrophobicContact CE1-CG 3.95Å; Y419-F462 HydrophobicContact CE2-CB 4.1Å; Y419-F462 AromaticContact CE2-CD1 3.92Å; Y419-F462 HydrophobicContact CE2-CD1 3.92Å; Y419-F462 AromaticContact CE2-CD2 3.44Å; Y419-F462 HydrophobicContact CE2-CD2 3.44Å; Y419-F462 VanDerWaalsContact CE2-CD2 3.44Å; Y419-F462 HydrophobicContact CE2-CE1 4.21Å; Y419-F462 AromaticContact CE2-CE2 3.78Å; Y419-F462 HydrophobicContact CE2-CE2 3.78Å; Y419-F462 AromaticContact CE2-CG 3.52Å; Y419-F462 HydrophobicContact CE2-CG 3.52Å; Y419-F462 HydrophobicContact CE2-CZ 4.15Å; Y419-F462 HydrophobicContact CG-CB 4.06Å; Y419-F462 AromaticContact CG-CD1 3.41Å; Y419-F462 HydrophobicContact CG-CD1 3.41Å; Y419-F462 VanDerWaalsContact CG-CD1 3.41Å; Y419-F462 HydrophobicContact CG-CD2 4.44Å; Y419-F462 AromaticContact CG-CE1 3.93Å; Y419-F462 HydrophobicContact CG-CE1 3.93Å; Y419-F462 AromaticContact CG-CG 3.7Å; Y419-F462 HydrophobicContact CG-CG 3.7Å; Y419-F462 AromaticContact CZ-CD2 3.83Å; Y419-F462 AromaticContact CZ-CG 3.75Å; V421-F462 HydrophobicContact CG2-CE1 4.49Å; V421-F462 HydrophobicContact CG2-CE2 3.79Å; V421-F462 HydrophobicContact CG2-CZ 3.51Å; I428-F462 HydrophobicContact CG2-CE1 3.68Å; I428-F462 HydrophobicContact CG2-CZ 3.96Å; I447-F462 HydrophobicContact CD1-CE1 4.13Å; I447-F462 HydrophobicContact CG1-CD1 3.84Å; I447-F462 HydrophobicContact CG1-CE1 3.78Å; P460-F462 HydrophobicContact CB-CE1 4.23Å; P460-F462 HydrophobicContact CB-CE2 4.2Å; P460-F462 HydrophobicContact CB-CZ 3.74Å; P460-F462 HydrophobicContact CG-CE2 4.14Å; P460-F462 HydrophobicContact CG-CZ 3.84Å
463T98.8Very high96.4Very high53 Ų5365.2 Ų65.233%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-124.3108.2167.5-600000109I241 A445 F446I241-T463 HydrophobicContact CG2-CG2 4.15Å; A445-T463 VanDerWaalsContact CA-O 3.26Å; A445-T463 WeakPolarHBondContact CA-O 3.14Å; F446-T463 HydrophobicContact CE1-CG2 3.9Å; F446-T463 VanDerWaalsContact CE2-CB 3.48Å; F446-T463 HydrophobicContact CE2-CG2 4.07Å; F446-T463 HydrophobicContact CZ-CG2 3.45Å; F446-T463 VanDerWaalsContact CZ-CG2 3.45Å; F446-T463 PolarHBondContact N-O 3.32Å; F446-T463 VanDerWaalsContact N-O 3.16Å; F446-T463 PolarHBondContact O-N 3.04Å
464S98.8Very high96.4Very high25 Ų2569.7 Ų69.718%0.17539%0.39CS..EExtended strand (participates in β ladder)trans-93141.9177.8-53.10000111.5E417 Y419 R443 G444E417-S464 VanDerWaalsContact O-CB 3.27Å; E417-S464 WeakPolarHBondContact O-CB 3.48Å; E417-S464 PolarHBondContact O-OG 3.19Å; Y419-S464 WeakPolarHBondContact CE1-OG 3.42Å; R443-S464 PolarHBondContact NH2-O 2.97Å; G444-S464 CarbonylContact O-C 3.55Å; G444-S464 WeakPolarHBondContact O-CA 3.08Å
465F98.8Very high96.4Very high9 Ų965.9 Ų65.94%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-139.4154.5-178.258.9-86.9000111.3I238 I241 S432 P434 R443 G444 F446I238-F465 HydrophobicContact CD1-CE1 4.34Å; I238-F465 HydrophobicContact CD1-CZ 3.72Å; I238-F465 HydrophobicContact CG1-CE1 3.8Å; I238-F465 HydrophobicContact CG1-CE2 4Å; I238-F465 HydrophobicContact CG1-CZ 3.37Å; I241-F465 HydrophobicContact CD1-CB 3.63Å; I241-F465 HydrophobicContact CD1-CD1 4.46Å; I241-F465 HydrophobicContact CD1-CG 4Å; S432-F465 WeakPolarHBondContact O-CZ 3.11Å; P434-F465 HydrophobicContact CB-CE2 4.42Å; P434-F465 HydrophobicContact CG-CD2 4.19Å; P434-F465 HydrophobicContact CG-CE2 3.8Å; R443-F465 WeakPolarHBondContact CA-O 3.23Å; R443-F465 WeakPolarHBondContact CB-O 3.49Å; G444-F465 VanDerWaalsContact C-CE1 3.48Å; G444-F465 PolarHBondContact N-O 3.13Å; G444-F465 WeakPolarHBondContact O-CD1 3.33Å; G444-F465 PolarHBondContact O-N 3.32Å; F446-F465 HydrophobicContact CD1-CD1 4.16Å; F446-F465 AromaticContact CD1-CE1 3.87Å; F446-F465 HydrophobicContact CD1-CE1 3.87Å; F446-F465 HydrophobicContact CE1-CD1 4.23Å; F446-F465 HydrophobicContact CE1-CE1 4.36Å
466T98.5Very high96.5Very high87 Ų8764.9 Ų64.953%0.53437%0.365SS..PPolyproline II helixtrans-91.2159.6176.755.20000110.6
467A98.1Very high96.6Very high39 Ų3964.5 Ų64.532%0.32236%0.357SS..PPolyproline II helixtrans-61145.6176.900000111.4D234 P434 N435D234-A467 VanDerWaalsContact OD1-CA 3.3Å; D234-A467 WeakPolarHBondContact OD1-CA 3.46Å; P434-A467 HydrophobicContact CB-CB 3.85Å; P434-A467 VanDerWaalsContact CG-CA 3.47Å; P434-A467 HydrophobicContact CG-CB 3.78Å; N435-A467 HydrophobicContact CB-CB 3.67Å
468V98Very high96.6Very high39 Ų3961.8 Ų61.824%0.23634%0.342CS..PPolyproline II helixtrans-100.4158.4172.4-62.40000111.1Y233 D234 N237 H470Y233-V468 WeakPolarHBondContact O-CG2 3.31Å; D234-V468 PolarHBondContact OD1-N 3Å; N237-V468 HydrophobicContact CB-CG1 3.74Å; N237-V468 HydrophobicContact CB-CG2 4.1Å; N237-V468 WeakPolarHBondContact ND2-CG1 3.34Å; V468-H470 PolarHBondContact O-N 3.26Å
469P97.3Very high96.3Very high122 Ų12262.3 Ų62.379%0.79235%0.346SS*.PPolyproline II helixtrans-57.4136173.1-24.234.6000111.9
470H96.3Very high95.7Very high68 Ų6861.3 Ų61.332%0.31533%0.334SS..  trans-126.4164.4170.760.683.1000109.7Y233 D438 V468Y233-H470 HydrophobicContact CD2-CB 3.48Å; Y233-H470 VanDerWaalsContact CD2-CB 3.48Å; Y233-H470 HydrophobicContact CE2-CB 4.17Å; Y233-H470 HydrophobicContact CG-CB 3.77Å; D438-H470 IonicContact OD1-CE1 3.65Å; D438-H470 IonicContact OD1-NE2 2.79Å; D438-H470 PolarHBondContact OD1-NE2 3.08Å; D438-H470 IonicContact OD2-CE1 2.71Å; D438-H470 PolarHBondContact OD2-CE1 3.44Å; D438-H470 IonicContact OD2-NE2 2.76Å; V468-H470 PolarHBondContact O-N 3.26Å
471P96.7Very high94.9Very high24 Ų2464 Ų6416%0.15635%0.352CS..  trans-56.6152.7174.2-22.832.3000111.9Q186 Y233 F263 V473Q186-P471 VanDerWaalsContact CD-CB 3.49Å; Q186-P471 HydrophobicContact CG-CB 4.29Å; Q186-P471 HydrophobicContact CG-CG 3.76Å; Y233-P471 HydrophobicContact CE1-CG 4.25Å; Y233-P471 HydrophobicContact CE2-CG 3.84Å; Y233-P471 WeakPolarHBondContact OH-CD 3.45Å; Y233-P471 WeakPolarHBondContact OH-CG 3.32Å; F263-P471 HydrophobicContact CE1-CG 4.43Å; F263-P471 HydrophobicContact CZ-CB 4.14Å; F263-P471 HydrophobicContact CZ-CG 4.06Å; P471-V473 HydrophobicContact CB-CG2 4.45Å; P471-V473 PolarHBondContact O-N 3.46Å
472D95.5Very high93.8Very high170 Ų17062.3 Ų62.391%0.90934%0.344SS*.SBendtrans-72.468.8180-171.517.5000111.6
473V95.4Very high92.7Very high37 Ų3760.8 Ų60.822%0.22434%0.338CS..  trans-125100.7172.2-173.10000106.4S262 F263 P471 A477S262-V473 VanDerWaalsContact CB-CG1 3.46Å; F263-V473 HydrophobicContact CE2-CB 4.44Å; F263-V473 HydrophobicContact CZ-CB 3.95Å; F263-V473 HydrophobicContact CZ-CG2 4Å; P471-V473 HydrophobicContact CB-CG2 4.45Å; P471-V473 PolarHBondContact O-N 3.46Å; V473-A477 HydrophobicContact CG1-CB 4.01Å
474R92.8Very high91.4Very high183 Ų18360.8 Ų60.869%0.69134%0.341SS*.  trans-51.7151.6-177.467177.8-174.91733.5112.5S262 A477S262-R474 PolarHBondContact OG-O 2.65Å; R474-A477 HydrophobicContact CG-CB 4.33Å; R474-A477 WeakPolarHBondContact O-CB 3.33Å; R474-A477 PolarHBondContact O-N 3.08Å
475P92.8Very high90Very high30 Ų3062.8 Ų62.820%0.19535%0.348CS..THydrogen-bonded Turntrans-55.1152.2167.1-26.135.5000111.1R260 D438 A477R260-P475 CarbonylContact O-C 3.5Å; R260-P475 WeakPolarHBondContact O-CA 3.47Å; D438-P475 HydrophobicContact CB-CG 4.07Å; D438-P475 WeakPolarHBondContact OD2-CD 3.36Å; D438-P475 WeakPolarHBondContact OD2-CG 3.29Å; P475-A477 PolarHBondContact O-N 3.03Å
476M91.5Very high88.5Confident51 Ų5162.5 Ų62.525%0.25135%0.346SS..THydrogen-bonded Turntrans60.524.2177.8-58.4-76.5-89.400112.9R260 Y298 Y478 V479 M487R260-M476 HydrophobicContact CB-SD 4.48Å; R260-M476 PolarHBondContact O-N 3.5Å; Y298-M476 HydrophobicContact CD1-CE 3.55Å; Y298-M476 HydrophobicContact CD1-SD 4.14Å; Y298-M476 HydrophobicContact CE1-CE 4.32Å; Y298-M476 HydrophobicContact CG-CE 4.38Å; Y298-M476 VanDerWaalsContact O-SD 3.35Å; M476-Y478 PolarHBondContact O-N 2.6Å; M476-Y478 VanDerWaalsContact O-N 3.13Å; M476-V479 HydrophobicContact CB-CB 4.35Å; M476-V479 HydrophobicContact CB-CG2 3.71Å; M476-V479 HydrophobicContact CE-CB 4.49Å; M476-V479 HydrophobicContact CE-CG1 4.44Å; M476-V479 HydrophobicContact CE-CG2 3.55Å; M476-V479 HydrophobicContact CG-CG2 4.21Å; M476-V479 PolarHBondContact O-N 2.91Å; M476-V479 VanDerWaalsContact O-N 3.16Å; M476-V479 HydrophobicContact SD-CG2 3.5Å; M476-V479 WeakPolarHBondContact SD-CG2 3.29Å; M476-M487 HydrophobicContact CE-CE 3.8Å
477A93.8Very high86.8Confident38 Ų3859.5 Ų59.531%0.31433%0.327SS..THydrogen-bonded Turntrans-59-28.5-176.500000113.7S262 V473 R474 P475S262-A477 VanDerWaalsContact OG-CB 3.29Å; S262-A477 WeakPolarHBondContact OG-CB 3.48Å; V473-A477 HydrophobicContact CG1-CB 4.01Å; R474-A477 HydrophobicContact CG-CB 4.33Å; R474-A477 WeakPolarHBondContact O-CB 3.33Å; R474-A477 PolarHBondContact O-N 3.08Å; P475-A477 PolarHBondContact O-N 3.03Å
478Y94.9Very high86.3Confident66 Ų6660.6 Ų60.626%0.25933%0.327SS..THydrogen-bonded Turntrans-103.45-176.7-56.2-81.5000114G299 E303 M476G299-Y478 WeakPolarHBondContact O-CB 3.12Å; E303-Y478 HydrophobicContact CB-CD1 4.36Å; E303-Y478 HydrophobicContact CB-CD2 3.63Å; E303-Y478 HydrophobicContact CB-CE2 4.16Å; E303-Y478 HydrophobicContact CB-CG 3.75Å; E303-Y478 HydrophobicContact CG-CD2 3.71Å; E303-Y478 HydrophobicContact CG-CE2 3.71Å; E303-Y478 HydrophobicContact CG-CG 4.2Å; M476-Y478 PolarHBondContact O-N 2.6Å; M476-Y478 VanDerWaalsContact O-N 3.13Å
479V91.9Very high85.7Confident13 Ų1361.7 Ų61.78%0.07933%0.332CS..SBendtrans-67.9138.5177.2174.30000110.1L297 M476 P481L297-V479 WeakPolarHBondContact O-CG1 3.4Å; M476-V479 HydrophobicContact CB-CB 4.35Å; M476-V479 HydrophobicContact CB-CG2 3.71Å; M476-V479 HydrophobicContact CE-CB 4.49Å; M476-V479 HydrophobicContact CE-CG1 4.44Å; M476-V479 HydrophobicContact CE-CG2 3.55Å; M476-V479 HydrophobicContact CG-CG2 4.21Å; M476-V479 PolarHBondContact O-N 2.91Å; M476-V479 VanDerWaalsContact O-N 3.16Å; M476-V479 HydrophobicContact SD-CG2 3.5Å; M476-V479 WeakPolarHBondContact SD-CG2 3.29Å; V479-P481 VanDerWaalsContact O-CD 3.24Å; V479-P481 WeakPolarHBondContact O-CD 3.37Å; V479-P481 VanDerWaalsContact O-N 3.16Å
480N84.5Confident85Confident56 Ų5658.3 Ų58.330%0.29931%0.306SS..  trans-59.9119.5171.7180-17.1000109.1L482 L483 S484N480-L482 PolarHBondContact O-N 3.12Å; N480-L482 WeakPolarHBondContact OD1-CB 3.44Å; N480-L482 PolarHBondContact OD1-N 3.01Å; N480-L483 HydrophobicContact CB-CB 4.16Å; N480-L483 HydrophobicContact CB-CD1 3.99Å; N480-L483 HydrophobicContact CB-CG 4.07Å; N480-L483 WeakPolarHBondContact O-CA 3.36Å; N480-L483 PolarHBondContact O-N 3.44Å; N480-S484 PolarHBondContact O-N 2.82Å; N480-S484 VanDerWaalsContact O-N 3.1Å
481P81.2Confident84.4Confident91 Ų9157.8 Ų57.859%0.59131%0.306SS*.THydrogen-bonded Turntrans-57.4-24.1-176.8-26.935.4000114.4V479 S484 M485V479-P481 VanDerWaalsContact O-CD 3.24Å; V479-P481 WeakPolarHBondContact O-CD 3.37Å; V479-P481 VanDerWaalsContact O-N 3.16Å; P481-S484 WeakPolarHBondContact CA-OG 3.46Å; P481-S484 PolarHBondContact O-OG 3.14Å; P481-M485 VanDerWaalsContact O-CG 3.29Å; P481-M485 WeakPolarHBondContact O-CG 3.38Å
482L76.1Confident83.6Confident56 Ų5659.9 Ų59.929%0.29332%0.315SS..THydrogen-bonded Turntrans-77-33.2175-68.9169.7000112.2E115 N480 M485 F486E115-L482 HydrophobicContact CB-CD2 4.35Å; N480-L482 PolarHBondContact O-N 3.12Å; N480-L482 WeakPolarHBondContact OD1-CB 3.44Å; N480-L482 PolarHBondContact OD1-N 3.01Å; L482-M485 HydrophobicContact CD2-CE 4.09Å; L482-M485 HydrophobicContact CD2-SD 4.2Å; L482-M485 WeakPolarHBondContact O-CB 3.21Å; L482-M485 PolarHBondContact O-N 3.26Å; L482-F486 WeakPolarHBondContact O-CE2 3.32Å
483L75.7Confident82.8Confident19 Ų1952.5 Ų52.510%0.09928%0.276CS..THydrogen-bonded Turntrans-74.4-37177.3-71.7176.6000111.6I123 R296 L297 N480 M485 F486I123-L483 HydrophobicContact CD1-CD2 4.2Å; R296-L483 HydrophobicContact CB-CD1 4.46Å; R296-L483 VanDerWaalsContact O-CD1 3.26Å; R296-L483 WeakPolarHBondContact O-CD1 3.38Å; L297-L483 HydrophobicContact CD1-CB 4.12Å; N480-L483 HydrophobicContact CB-CB 4.16Å; N480-L483 HydrophobicContact CB-CD1 3.99Å; N480-L483 HydrophobicContact CB-CG 4.07Å; N480-L483 WeakPolarHBondContact O-CA 3.36Å; N480-L483 PolarHBondContact O-N 3.44Å; L483-M485 PolarHBondContact O-N 3.32Å; L483-F486 HydrophobicContact CD2-CD2 4.04Å; L483-F486 HydrophobicContact CD2-CE2 3.89Å; L483-F486 VanDerWaalsContact O-CD2 3.24Å; L483-F486 WeakPolarHBondContact O-CD2 3.47Å; L483-F486 PolarHBondContact O-N 3.08Å
484S71.4Confident81.9Confident54 Ų5453.6 Ų53.638%0.37828%0.279SS..THydrogen-bonded Turntrans-62.4-14.1173.460.70000113.4N480 P481 F486N480-S484 PolarHBondContact O-N 2.82Å; N480-S484 VanDerWaalsContact O-N 3.1Å; P481-S484 WeakPolarHBondContact CA-OG 3.46Å; P481-S484 PolarHBondContact O-OG 3.14Å; S484-F486 VanDerWaalsContact C-N 3.26Å; S484-F486 PolarHBondContact O-N 2.93Å
485M68.8Low81.1Confident67 Ų6743.7 Ų43.733%0.3325%0.248SC..THydrogen-bonded Turntrans-76.2-12.4174.7-58.2-176-177.300113.5K116 P481 L482 L483K116-M485 VanDerWaalsContact CE-O 3.27Å; K116-M485 WeakPolarHBondContact CE-O 2.87Å; K116-M485 PolarHBondContact NZ-O 3.13Å; P481-M485 VanDerWaalsContact O-CG 3.29Å; P481-M485 WeakPolarHBondContact O-CG 3.38Å; L482-M485 HydrophobicContact CD2-CE 4.09Å; L482-M485 HydrophobicContact CD2-SD 4.2Å; L482-M485 WeakPolarHBondContact O-CB 3.21Å; L482-M485 PolarHBondContact O-N 3.26Å; L483-M485 PolarHBondContact O-N 3.32Å
486F66.8Low80.1Confident2 Ų244.8 Ų44.81%0.00925%0.252CS..  trans-89.7-18.7178.6-56.2-68.1000113.1M88 Y100 K116 L482 L483 S484M88-F486 HydrophobicContact CB-CB 4.28Å; M88-F486 HydrophobicContact CB-CD1 3.87Å; M88-F486 HydrophobicContact CB-CD2 4.41Å; M88-F486 HydrophobicContact CB-CE1 4.31Å; M88-F486 HydrophobicContact CB-CG 3.94Å; M88-F486 HydrophobicContact CE-CD2 4.14Å; M88-F486 HydrophobicContact CE-CE1 4.03Å; M88-F486 HydrophobicContact CE-CE2 3.66Å; M88-F486 HydrophobicContact CE-CZ 3.59Å; M88-F486 HydrophobicContact CG-CD1 3.83Å; M88-F486 HydrophobicContact CG-CE1 3.8Å; M88-F486 HydrophobicContact CG-CG 4.34Å; M88-F486 HydrophobicContact CG-CZ 4.35Å; Y100-F486 HydrophobicContact CE2-CE1 4.14Å; Y100-F486 AromaticContact CZ-CE1 3.81Å; Y100-F486 WeakPolarHBondContact OH-CD1 3.47Å; Y100-F486 WeakPolarHBondContact OH-CE1 3.46Å; K116-F486 HydrophobicContact CB-CE1 3.68Å; K116-F486 HydrophobicContact CB-CZ 4Å; K116-F486 HydrophobicContact CD-CD1 3.92Å; K116-F486 HydrophobicContact CD-CE1 3.5Å; K116-F486 VanDerWaalsContact CD-CE1 3.5Å; K116-F486 HydrophobicContact CD-CZ 4.33Å; K116-F486 HydrophobicContact CG-CD1 4.24Å; K116-F486 HydrophobicContact CG-CE1 3.37Å; K116-F486 HydrophobicContact CG-CZ 3.73Å; L482-F486 WeakPolarHBondContact O-CE2 3.32Å; L483-F486 HydrophobicContact CD2-CD2 4.04Å; L483-F486 HydrophobicContact CD2-CE2 3.89Å; L483-F486 VanDerWaalsContact O-CD2 3.24Å; L483-F486 WeakPolarHBondContact O-CD2 3.47Å; L483-F486 PolarHBondContact O-N 3.08Å; S484-F486 VanDerWaalsContact C-N 3.26Å; S484-F486 PolarHBondContact O-N 2.93Å
487M64.5Low79Confident25 Ų2544.3 Ų44.312%0.12325%0.252CS..  trans-101.40178.7-61.2179.6-67.800110.9R55 F59 L297 Y298 M476R55-M487 WeakPolarHBondContact CD-OXT 3.29Å; R55-M487 PolarHBondContact NH1-O 3.21Å; R55-M487 PolarHBondContact NH1-OXT 3.21Å; F59-M487 HydrophobicContact CZ-CG 4.39Å; L297-M487 HydrophobicContact CD1-CE 3.6Å; L297-M487 HydrophobicContact CD1-CG 4.32Å; L297-M487 HydrophobicContact CD1-SD 3.78Å; L297-M487 HydrophobicContact CD2-SD 3.83Å; L297-M487 HydrophobicContact CG-CE 3.77Å; L297-M487 HydrophobicContact CG-SD 3.59Å; L297-M487 VanDerWaalsContact CG-SD 3.59Å; L297-M487 WeakPolarHBondContact O-CE 3.33Å; Y298-M487 HydrophobicContact CD1-CE 4.25Å; Y298-M487 HydrophobicContact CD1-SD 4Å; Y298-M487 HydrophobicContact CE1-CE 4.08Å; Y298-M487 HydrophobicContact CE1-SD 3.26Å; Y298-M487 WeakPolarHBondContact CE1-SD 3.44Å; Y298-M487 HydrophobicContact CE2-SD 4.43Å; Y298-M487 VanDerWaalsContact CZ-SD 3.52Å; M476-M487 HydrophobicContact CE-CE 3.8Å

Retrieved 487 of 487 residues in 1242 ms (Link to these results)

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