A0A3Q0KHK7_SCHMA Loading...

INCENP_ARK-bind domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 693 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
1M59.6Low72.1Confident185 Ų185117.3 Ų117.391%0.91157%0.565SS**  0-680-70.6-57.8-80.800110.2L3 Y4 Q5M1-L3 PolarHBondContact O-N 3.48Å; M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.36Å; M1-Q5 PolarHBondContact O-N 2.99Å
2E70Confident72.7Confident160 Ų160115.2 Ų115.275%0.74856%0.559SS**Hα-helixtrans-44.7-52.7-177.6-62.316516000114.2Y4 Q5 Q6E2-Y4 PolarHBondContact O-N 3.29Å; E2-Q5 PolarHBondContact O-N 3.25Å; E2-Q6 WeakPolarHBondContact O-CB 3.25Å; E2-Q6 PolarHBondContact O-N 3.17Å
3L68.8Low73.5Confident145 Ų145112.8 Ų112.876%0.75955%0.55SS*.Hα-helixtrans-57.4-26.9-179.2-15498.8000114.1M1 F7M1-L3 PolarHBondContact O-N 3.48Å; L3-F7 PolarHBondContact O-N 3.41Å; L3-F7 VanDerWaalsContact O-N 3.17Å
4Y71.3Confident74.2Confident154 Ų154111.8 Ų111.860%0.60455%0.547SS*.Hα-helixtrans-83.8-37.8176.8-179.6-111.2000111.8M1 E2 Q6 F7 L8M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.36Å; E2-Y4 PolarHBondContact O-N 3.29Å; Y4-Q6 VanDerWaalsContact C-N 3.31Å; Y4-F7 PolarHBondContact O-N 3.42Å; Y4-L8 HydrophobicContact CD1-CD1 4.1Å; Y4-L8 HydrophobicContact CE1-CD1 3.68Å; Y4-L8 HydrophobicContact CE1-CG 4.39Å; Y4-L8 WeakPolarHBondContact O-CG 3.33Å; Y4-L8 PolarHBondContact O-N 3.04Å
5Q72.4Confident75Confident122 Ų122109.1 Ų109.157%0.5753%0.532SS*.Hα-helixtrans-63.4-38.7169.7-71.5174.6-4300111.5M1 E2 F7 L8 L9M1-Q5 PolarHBondContact O-N 2.99Å; E2-Q5 PolarHBondContact O-N 3.25Å; Q5-F7 VanDerWaalsContact C-N 3.33Å; Q5-L8 PolarHBondContact O-N 3.49Å; Q5-L9 WeakPolarHBondContact O-CB 3.26Å; Q5-L9 PolarHBondContact O-N 2.95Å
6Q71.1Confident75.6Confident126 Ų126108.5 Ų108.559%0.58953%0.531SS*.Hα-helixtrans-67.4-33.9176-164.2170.631.600112E2 Y4 T10E2-Q6 WeakPolarHBondContact O-CB 3.25Å; E2-Q6 PolarHBondContact O-N 3.17Å; Y4-Q6 VanDerWaalsContact C-N 3.31Å; Q6-T10 WeakPolarHBondContact O-CB 3.29Å; Q6-T10 PolarHBondContact O-N 2.69Å; Q6-T10 VanDerWaalsContact O-N 3.09Å; Q6-T10 PolarHBondContact O-OG1 3.33Å
7F71.6Confident76.1Confident107 Ų107108.2 Ų108.247%0.46953%0.531SS..Hα-helixtrans-65.1-51.6171.3-174.8-88.8000111.7L3 Y4 Q5 L9 T10 E11L3-F7 PolarHBondContact O-N 3.41Å; L3-F7 VanDerWaalsContact O-N 3.17Å; Y4-F7 PolarHBondContact O-N 3.42Å; Q5-F7 VanDerWaalsContact C-N 3.33Å; F7-L9 PolarHBondContact O-N 2.79Å; F7-T10 WeakPolarHBondContact O-CA 3.34Å; F7-T10 WeakPolarHBondContact O-CB 3.46Å; F7-T10 PolarHBondContact O-N 2.77Å; F7-E11 PolarHBondContact O-N 2.92Å
8L74.4Confident76.7Confident67 Ų67107 Ų10735%0.35153%0.526SS..Hα-helixtrans-57.6-45.6177.4-70.5170.9000112.1Y4 Q5 T10 E11 D12Y4-L8 HydrophobicContact CD1-CD1 4.1Å; Y4-L8 HydrophobicContact CE1-CD1 3.68Å; Y4-L8 HydrophobicContact CE1-CG 4.39Å; Y4-L8 WeakPolarHBondContact O-CG 3.33Å; Y4-L8 PolarHBondContact O-N 3.04Å; Q5-L8 PolarHBondContact O-N 3.49Å; L8-T10 PolarHBondContact O-N 3.26Å; L8-E11 WeakPolarHBondContact O-CB 3.18Å; L8-E11 PolarHBondContact O-N 3.39Å; L8-D12 PolarHBondContact O-N 3.18Å
9L76.2Confident77.2Confident107 Ų107106.1 Ų106.156%0.5652%0.524SS*.Hα-helixtrans-60.8-35.3176.1-172.368.6000112.1Q5 F7 I13Q5-L9 WeakPolarHBondContact O-CB 3.26Å; Q5-L9 PolarHBondContact O-N 2.95Å; F7-L9 PolarHBondContact O-N 2.79Å; L9-I13 HydrophobicContact CG-CD1 4.13Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.62Å; L9-I13 VanDerWaalsContact O-N 3.11Å
10T78.2Confident77.6Confident76 Ų76106.7 Ų106.747%0.46653%0.529SS..Hα-helixtrans-69.9-35.3175-55.40000111.6Q6 F7 L8 L14Q6-T10 WeakPolarHBondContact O-CB 3.29Å; Q6-T10 PolarHBondContact O-N 2.69Å; Q6-T10 VanDerWaalsContact O-N 3.09Å; Q6-T10 PolarHBondContact O-OG1 3.33Å; F7-T10 WeakPolarHBondContact O-CA 3.34Å; F7-T10 WeakPolarHBondContact O-CB 3.46Å; F7-T10 PolarHBondContact O-N 2.77Å; L8-T10 PolarHBondContact O-N 3.26Å; T10-L14 HydrophobicContact CG2-CD1 4.49Å; T10-L14 WeakPolarHBondContact O-CB 3.4Å; T10-L14 PolarHBondContact O-N 3.01Å
11E79.6Confident78Confident41 Ų41103.8 Ų103.819%0.19252%0.522CS..Hα-helixtrans-65.9-47.4176.2-163.3-173.3135.600111.7F7 L8 I13 L14 K15F7-E11 PolarHBondContact O-N 2.92Å; L8-E11 WeakPolarHBondContact O-CB 3.18Å; L8-E11 PolarHBondContact O-N 3.39Å; E11-I13 VanDerWaalsContact C-N 3.35Å; E11-I13 PolarHBondContact O-N 2.9Å; E11-L14 WeakPolarHBondContact O-CB 3.49Å; E11-L14 PolarHBondContact O-N 3.3Å; E11-L14 VanDerWaalsContact O-N 3.17Å; E11-K15 HydrophobicContact CG-CD 4.35Å; E11-K15 WeakPolarHBondContact O-CG 3.19Å; E11-K15 PolarHBondContact O-N 3.48Å; E11-K15 WeakPolarHBondContact OE1-CE 3.31Å; E11-K15 IonicContact OE1-NZ 2.62Å; E11-K15 PolarHBondContact OE1-NZ 2.99Å
12D79.3Confident79.3Confident92 Ų9299.1 Ų99.149%0.49250%0.497SS..Hα-helixtrans-61.3-41.7175.7-73.8-28.4000111.9L8 K15 N16L8-D12 PolarHBondContact O-N 3.18Å; D12-K15 PolarHBondContact O-N 2.84Å; D12-N16 PolarHBondContact O-N 3.34Å; D12-N16 PolarHBondContact O-ND2 3.03Å
13I83.4Confident80.1Confident85 Ų8597.3 Ų97.344%0.43649%0.488SS..Hα-helixtrans-62.3-42.8174.2-71.8167.3000110.9L9 E11 N16 I17L9-I13 HydrophobicContact CG-CD1 4.13Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.62Å; L9-I13 VanDerWaalsContact O-N 3.11Å; E11-I13 VanDerWaalsContact C-N 3.35Å; E11-I13 PolarHBondContact O-N 2.9Å; I13-N16 PolarHBondContact O-N 2.98Å; I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.19Å; I13-I17 PolarHBondContact O-N 3.02Å
14L82.5Confident80.9Confident98 Ų9895.6 Ų95.651%0.51348%0.48SS..Hα-helixtrans-61.5-45.4175.3-118.777000111.8T10 E11 N16 I17 I18T10-L14 HydrophobicContact CG2-CD1 4.49Å; T10-L14 WeakPolarHBondContact O-CB 3.4Å; T10-L14 PolarHBondContact O-N 3.01Å; E11-L14 WeakPolarHBondContact O-CB 3.49Å; E11-L14 PolarHBondContact O-N 3.3Å; E11-L14 VanDerWaalsContact O-N 3.17Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.47Å; L14-I17 PolarHBondContact O-N 2.91Å; L14-I18 WeakPolarHBondContact O-CB 3.36Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.29Å; L14-I18 PolarHBondContact O-N 3.27Å
15K86Confident81.5Confident72 Ų7294 Ų9431%0.31348%0.48SS..Hα-helixtrans-61.2-41-180-76.7171.7170.4178.10111.8E11 D12 I18 N19 E60E11-K15 HydrophobicContact CG-CD 4.35Å; E11-K15 WeakPolarHBondContact O-CG 3.19Å; E11-K15 PolarHBondContact O-N 3.48Å; E11-K15 WeakPolarHBondContact OE1-CE 3.31Å; E11-K15 IonicContact OE1-NZ 2.62Å; E11-K15 PolarHBondContact OE1-NZ 2.99Å; D12-K15 PolarHBondContact O-N 2.84Å; K15-I18 PolarHBondContact O-N 2.89Å; K15-N19 PolarHBondContact O-N 3.27Å; K15-N19 PolarHBondContact O-ND2 3.5Å; K15-E60 WeakPolarHBondContact CE-OE1 3.38Å; K15-E60 IonicContact NZ-OE1 2.69Å; K15-E60 PolarHBondContact NZ-OE1 3.42Å
16N85.2Confident82Confident99 Ų9991.2 Ų91.253%0.52947%0.468SS..Hα-helixtrans-65.4-46.6173.9-70.2-33.6000112.3D12 I13 L14 I18 N19 D20D12-N16 PolarHBondContact O-N 3.34Å; D12-N16 PolarHBondContact O-ND2 3.03Å; I13-N16 PolarHBondContact O-N 2.98Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.47Å; N16-I18 VanDerWaalsContact C-N 3.29Å; N16-I18 PolarHBondContact O-N 2.96Å; N16-N19 PolarHBondContact O-N 2.66Å; N16-N19 VanDerWaalsContact O-N 3.15Å; N16-D20 PolarHBondContact O-N 2.88Å
17I84.5Confident82.6Confident103 Ų10388 Ų8853%0.52846%0.462SS..Hα-helixtrans-60.3-38.5177.3-68.9166.2000111.8I13 L14 A21I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.19Å; I13-I17 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 2.91Å; I17-A21 WeakPolarHBondContact O-CB 3.36Å; I17-A21 PolarHBondContact O-N 2.93Å
18I86.1Confident83.1Confident87 Ų8785.7 Ų85.745%0.44646%0.457SS..Hα-helixtrans-67.9-40.4176.9-69.6165000111L14 K15 N16 A21 K22L14-I18 WeakPolarHBondContact O-CB 3.36Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.29Å; L14-I18 PolarHBondContact O-N 3.27Å; K15-I18 PolarHBondContact O-N 2.89Å; N16-I18 VanDerWaalsContact C-N 3.29Å; N16-I18 PolarHBondContact O-N 2.96Å; I18-A21 PolarHBondContact O-N 3.36Å; I18-K22 WeakPolarHBondContact O-CB 3.36Å; I18-K22 PolarHBondContact O-N 3.47Å
19N86.2Confident83.4Confident90 Ų9087.9 Ų87.948%0.48146%0.464SS..Hα-helixtrans-65.9-44.8176-79.8-30.7000112.3K15 N16 A21 K22 Q23K15-N19 PolarHBondContact O-N 3.27Å; K15-N19 PolarHBondContact O-ND2 3.5Å; N16-N19 PolarHBondContact O-N 2.66Å; N16-N19 VanDerWaalsContact O-N 3.15Å; N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.88Å; N19-K22 WeakPolarHBondContact O-CB 3.39Å; N19-K22 PolarHBondContact O-N 3.28Å; N19-Q23 WeakPolarHBondContact O-CG 3.31Å; N19-Q23 PolarHBondContact O-N 3.32Å
20D86.3Confident83.6Confident117 Ų11789.2 Ų89.263%0.62647%0.465SS*.Hα-helixtrans-60.4-41.6175-76.9-13.2000111.4N16 Q23 N24N16-D20 PolarHBondContact O-N 2.88Å; D20-Q23 PolarHBondContact O-N 3.04Å; D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.12Å; D20-N24 PolarHBondContact O-N 3.44Å
21A85.5Confident83.7Confident46 Ų4692.4 Ų92.438%0.3848%0.475SS..Hα-helixtrans-62.7-43.1174.200000112.2I17 I18 N19 N24 I25I17-A21 WeakPolarHBondContact O-CB 3.36Å; I17-A21 PolarHBondContact O-N 2.93Å; I18-A21 PolarHBondContact O-N 3.36Å; N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.88Å; A21-N24 PolarHBondContact O-N 3.43Å; A21-I25 WeakPolarHBondContact O-CB 3.31Å; A21-I25 WeakPolarHBondContact O-CD1 3.38Å; A21-I25 VanDerWaalsContact O-CG1 3.24Å; A21-I25 WeakPolarHBondContact O-CG1 3.25Å; A21-I25 PolarHBondContact O-N 2.8Å
22K85.7Confident83.6Confident88 Ų8894.7 Ų94.738%0.38349%0.488SS..Hα-helixtrans-60-46.7176.2-174.2177.6179.3179.70111.3I18 N19 I25 Q26I18-K22 WeakPolarHBondContact O-CB 3.36Å; I18-K22 PolarHBondContact O-N 3.47Å; N19-K22 WeakPolarHBondContact O-CB 3.39Å; N19-K22 PolarHBondContact O-N 3.28Å; K22-I25 PolarHBondContact O-N 2.85Å; K22-Q26 WeakPolarHBondContact O-CB 3.33Å; K22-Q26 PolarHBondContact O-N 3.23Å
23Q87.4Confident83.3Confident122 Ų12292.4 Ų92.457%0.5748%0.477SS*.Hα-helixtrans-63.6-45.6177.8-69.1-65.5-11.200112.1N19 D20 I25 Q26 A27N19-Q23 WeakPolarHBondContact O-CG 3.31Å; N19-Q23 PolarHBondContact O-N 3.32Å; D20-Q23 PolarHBondContact O-N 3.04Å; Q23-I25 PolarHBondContact O-N 3.27Å; Q23-Q26 PolarHBondContact O-N 2.88Å; Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 2.9Å
24N84.9Confident82.9Confident109 Ų10992.1 Ų92.158%0.58349%0.488SS*.Hα-helixtrans-64.6-39.5-179.8-165.3-6.6000112D20 A21 T28D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.12Å; D20-N24 PolarHBondContact O-N 3.44Å; A21-N24 PolarHBondContact O-N 3.43Å; N24-T28 WeakPolarHBondContact O-CB 3.42Å; N24-T28 PolarHBondContact O-N 2.77Å; N24-T28 PolarHBondContact O-OG1 3.49Å
25I85.1Confident82.5Confident119 Ų11991.7 Ų91.761%0.6150%0.498SS*.Hα-helixtrans-64.1-44.9172.8-69.1165.7000111.1A21 K22 Q23 T28 F29A21-I25 WeakPolarHBondContact O-CB 3.31Å; A21-I25 WeakPolarHBondContact O-CD1 3.38Å; A21-I25 VanDerWaalsContact O-CG1 3.24Å; A21-I25 WeakPolarHBondContact O-CG1 3.25Å; A21-I25 PolarHBondContact O-N 2.8Å; K22-I25 PolarHBondContact O-N 2.85Å; Q23-I25 PolarHBondContact O-N 3.27Å; I25-T28 PolarHBondContact O-N 3.44Å; I25-F29 WeakPolarHBondContact O-CB 3.29Å; I25-F29 PolarHBondContact O-N 2.86Å
26Q83.3Confident81.6Confident65 Ų6594.2 Ų94.230%0.30451%0.514SS..Hα-helixtrans-66.4-38.3179.6-162.3-178.418.300112.1K22 Q23 F29 K30K22-Q26 WeakPolarHBondContact O-CB 3.33Å; K22-Q26 PolarHBondContact O-N 3.23Å; Q23-Q26 PolarHBondContact O-N 2.88Å; Q26-F29 PolarHBondContact O-N 2.83Å; Q26-K30 WeakPolarHBondContact O-CG 3.25Å; Q26-K30 PolarHBondContact O-N 2.83Å
27A83.7Confident79.7Confident57 Ų5791.9 Ų91.947%0.47151%0.514SS..Hα-helixtrans-63.3-47.4172.700000111.7Q23 F29 K30 E31Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 2.9Å; A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.93Å; A27-K30 PolarHBondContact O-N 3.19Å; A27-E31 PolarHBondContact O-N 3.3Å
28T82.3Confident77.9Confident60 Ų6091 Ų9137%0.36853%0.529SS..Hα-helixtrans-58.8-40.3175.8-57.70000111.5N24 I25 E31 I32N24-T28 WeakPolarHBondContact O-CB 3.42Å; N24-T28 PolarHBondContact O-N 2.77Å; N24-T28 PolarHBondContact O-OG1 3.49Å; I25-T28 PolarHBondContact O-N 3.44Å; T28-E31 PolarHBondContact O-N 2.79Å; T28-I32 HydrophobicContact CG2-CD1 3.91Å; T28-I32 WeakPolarHBondContact O-CB 3.49Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.47Å
29F79.1Confident75.9Confident112 Ų11292.4 Ų92.449%0.49154%0.537SS..Hα-helixtrans-68.5-38.5177.5-167.2-93000112.5I25 Q26 A27 I32 T33 V43I25-F29 WeakPolarHBondContact O-CB 3.29Å; I25-F29 PolarHBondContact O-N 2.86Å; Q26-F29 PolarHBondContact O-N 2.83Å; A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.93Å; F29-I32 PolarHBondContact O-N 2.8Å; F29-T33 WeakPolarHBondContact O-CB 3.46Å; F29-T33 PolarHBondContact O-N 3.48Å; F29-T33 PolarHBondContact O-OG1 3.39Å; F29-V43 HydrophobicContact CE1-CG2 4.28Å
30K81.2Confident73.8Confident135 Ų13597.3 Ų97.359%0.58756%0.557SS**Hα-helixtrans-63.8-43.3172.6-75.2176178176.70111.6Q26 A27 T33 A34Q26-K30 WeakPolarHBondContact O-CG 3.25Å; Q26-K30 PolarHBondContact O-N 2.83Å; A27-K30 PolarHBondContact O-N 3.19Å; K30-T33 PolarHBondContact O-N 3.47Å; K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 3.35Å
31E81.2Confident71.8Confident144 Ų14495.5 Ų95.567%0.67355%0.55SS*.Hα-helixtrans-61.6-46.5175-171.5-176.6178.300111.6A27 T28 T33 A34 A35A27-E31 PolarHBondContact O-N 3.3Å; T28-E31 PolarHBondContact O-N 2.79Å; E31-T33 PolarHBondContact O-N 2.94Å; E31-A34 PolarHBondContact O-N 3.46Å; E31-A35 VanDerWaalsContact O-CB 3.26Å; E31-A35 WeakPolarHBondContact O-CB 3.42Å; E31-A35 PolarHBondContact O-N 2.93Å
32I77.1Confident69.9Low89 Ų8998.6 Ų98.646%0.45657%0.569SS.*Hα-helixtrans-61.6-42.8177-72.2168.1000111.4T28 F29 A35 L36T28-I32 HydrophobicContact CG2-CD1 3.91Å; T28-I32 WeakPolarHBondContact O-CB 3.49Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.47Å; F29-I32 PolarHBondContact O-N 2.8Å; I32-A35 PolarHBondContact O-N 3.21Å; I32-L36 HydrophobicContact CG2-CD1 3.74Å; I32-L36 HydrophobicContact CG2-CG 4.37Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 VanDerWaalsContact O-CG 3.25Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.01Å
33T72.9Confident68.2Low43 Ų4397.3 Ų97.326%0.26457%0.568SS.*Hα-helixtrans-67.1-42-179.8-58.50000111.3F29 K30 E31 L36 G37F29-T33 WeakPolarHBondContact O-CB 3.46Å; F29-T33 PolarHBondContact O-N 3.48Å; F29-T33 PolarHBondContact O-OG1 3.39Å; K30-T33 PolarHBondContact O-N 3.47Å; E31-T33 PolarHBondContact O-N 2.94Å; T33-L36 PolarHBondContact O-N 3.41Å; T33-G37 PolarHBondContact O-N 2.82Å
34A74.9Confident66.2Low80 Ų8096.9 Ų96.966%0.66157%0.57SS**Hα-helixtrans-61.4-46172.500000111.8K30 E31 L36 G37K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 3.35Å; E31-A34 PolarHBondContact O-N 3.46Å; A34-L36 VanDerWaalsContact C-N 3.27Å; A34-L36 PolarHBondContact O-N 2.95Å; A34-G37 PolarHBondContact O-N 3.37Å
35A73.6Confident64.6Low88 Ų8897 Ų9773%0.72757%0.571SS**Hα-helixtrans-70.2-17.8179.500000114.4E31 I32E31-A35 VanDerWaalsContact O-CB 3.26Å; E31-A35 WeakPolarHBondContact O-CB 3.42Å; E31-A35 PolarHBondContact O-N 2.93Å; I32-A35 PolarHBondContact O-N 3.21Å
36L68.1Low62.8Low125 Ų12593.6 Ų93.665%0.65457%0.565SS**Hα-helixtrans-85.2-19.2174.5-78.4170.3000113.6I32 T33 A34I32-L36 HydrophobicContact CG2-CD1 3.74Å; I32-L36 HydrophobicContact CG2-CG 4.37Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 VanDerWaalsContact O-CG 3.25Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.01Å; T33-L36 PolarHBondContact O-N 3.41Å; A34-L36 VanDerWaalsContact C-N 3.27Å; A34-L36 PolarHBondContact O-N 2.95Å
37G45Very low61.2Low51 Ų5195.2 Ų95.253%0.52658%0.579SS.*  trans76102.9170.400000115.1T33 A34 I39T33-G37 PolarHBondContact O-N 2.82Å; A34-G37 PolarHBondContact O-N 3.37Å; G37-I39 PolarHBondContact O-N 3.25Å
38G47.3Very low59.5Low83 Ų8397.9 Ų97.986%0.85658%0.584SS**SBendtrans69.621.915600000117.2
39I43.7Very low58.2Low117 Ų11797.2 Ų97.260%0.658%0.582SS**  trans-93.4106164.2-52.3-178.9000107.8G37 T41G37-I39 PolarHBondContact O-N 3.25Å; I39-T41 HydrophobicContact CG2-CG2 3.98Å; I39-T41 PolarHBondContact O-N 2.87Å
40E41.9Very low57.1Low194 Ų19496.9 Ų96.991%0.90758%0.582SS**  trans-69.681.5169.2-67.5-176.7143.500110S42E40-S42 PolarHBondContact O-N 3.34Å
41T44.1Very low56Low78 Ų7895 Ų9548%0.47958%0.579SS.*  trans-83.796.7158.555.30000108.2I39 V43I39-T41 HydrophobicContact CG2-CG2 3.98Å; I39-T41 PolarHBondContact O-N 2.87Å; T41-V43 PolarHBondContact O-N 3.48Å
42S45.9Very low54.8Low111 Ų11191.6 Ų91.678%0.77657%0.565SS**  trans-64.983.7161.256.30000108.6E40 D44E40-S42 PolarHBondContact O-N 3.34Å; S42-D44 PolarHBondContact O-N 3.12Å
43V49.7Very low53.9Low61 Ų6193.7 Ų93.737%0.3757%0.573SS.*  trans-74.7106.4167.3179.70000105.8F29 T41 D45 L48F29-V43 HydrophobicContact CE1-CG2 4.28Å; T41-V43 PolarHBondContact O-N 3.48Å; V43-D45 PolarHBondContact O-N 3.04Å; V43-L48 HydrophobicContact CG1-CD1 3.63Å; V43-L48 HydrophobicContact CG1-CG 4.21Å
44D46.3Very low53.5Low114 Ų11495.8 Ų95.861%0.6158%0.578SS**  trans-57.3110.5174.8-78-55.9000109.6S42 G46 V47S42-D44 PolarHBondContact O-N 3.12Å; D44-G46 PolarHBondContact O-N 3.29Å; D44-V47 HydrophobicContact CB-CB 4.41Å; D44-V47 HydrophobicContact CB-CG2 3.84Å; D44-V47 PolarHBondContact O-N 3.32Å
45D49.7Very low52.5Low112 Ų11297.7 Ų97.760%0.59957%0.573SS**Hα-helixtrans-56-23.2178.3-79.9-55.6000112V43 S49V43-D45 PolarHBondContact O-N 3.04Å; D45-S49 VanDerWaalsContact O-CB 3.29Å; D45-S49 WeakPolarHBondContact O-CB 3.4Å; D45-S49 PolarHBondContact O-N 3.01Å; D45-S49 PolarHBondContact O-OG 2.98Å
46G48.1Very low51.6Low47 Ų4797 Ų9749%0.48556%0.556SS.*Hα-helixtrans-64.2-46.3170.700000113.6D44 L48 S49 E50D44-G46 PolarHBondContact O-N 3.29Å; G46-L48 PolarHBondContact O-N 3.16Å; G46-S49 PolarHBondContact O-N 3.04Å; G46-E50 WeakPolarHBondContact O-CB 3.5Å; G46-E50 PolarHBondContact O-N 3.03Å
47V50.6Low51Low98 Ų9897.1 Ų97.159%0.59455%0.554SS**Hα-helixtrans-68-40.5-173.3178.90000111.6D44 D51D44-V47 HydrophobicContact CB-CB 4.41Å; D44-V47 HydrophobicContact CB-CG2 3.84Å; D44-V47 PolarHBondContact O-N 3.32Å; V47-D51 PolarHBondContact O-N 3.19Å
48L47.1Very low51.6Low113 Ų113101.8 Ų101.859%0.59256%0.56SS**Hα-helixtrans-75.8-22.2174.8-78.6179.6000113.6V43 G46 L52V43-L48 HydrophobicContact CG1-CD1 3.63Å; V43-L48 HydrophobicContact CG1-CG 4.21Å; G46-L48 PolarHBondContact O-N 3.16Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å
49S54.9Low51.8Low46 Ų46101.9 Ų101.932%0.32254%0.544SS..Hα-helixtrans-77.9-51.4172.8-63.30000111D45 G46 D51 L52 E53D45-S49 VanDerWaalsContact O-CB 3.29Å; D45-S49 WeakPolarHBondContact O-CB 3.4Å; D45-S49 PolarHBondContact O-N 3.01Å; D45-S49 PolarHBondContact O-OG 2.98Å; G46-S49 PolarHBondContact O-N 3.04Å; S49-D51 VanDerWaalsContact C-N 3.35Å; S49-D51 PolarHBondContact O-N 3.43Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-L52 VanDerWaalsContact O-N 3.14Å; S49-E53 VanDerWaalsContact O-CB 3.25Å; S49-E53 WeakPolarHBondContact O-CB 3.26Å; S49-E53 PolarHBondContact O-N 3.41Å
50E55.5Low52Low106 Ų10699.6 Ų99.650%0.49553%0.53SS..Hα-helixtrans-64.3-35.5-170.9-151.7-168.4166.200112.8G46 K54G46-E50 WeakPolarHBondContact O-CB 3.5Å; G46-E50 PolarHBondContact O-N 3.03Å; E50-K54 HydrophobicContact CG-CD 4.44Å; E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 WeakPolarHBondContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CG 3.32Å; E50-K54 PolarHBondContact O-N 2.77Å; E50-K54 WeakPolarHBondContact OE1-CE 3.47Å; E50-K54 IonicContact OE1-NZ 3.64Å; E50-K54 PolarHBondContact OE1-NZ 3.42Å; E50-K54 IonicContact OE2-NZ 3.67Å
51D57.8Low52.2Low95 Ų9594.8 Ų94.851%0.50851%0.511SS..Hα-helixtrans-81.1-19.9179.1-132.230.1000113.3V47 S49 Q55V47-D51 PolarHBondContact O-N 3.19Å; S49-D51 VanDerWaalsContact C-N 3.35Å; S49-D51 PolarHBondContact O-N 3.43Å; D51-Q55 WeakPolarHBondContact O-CG 3.41Å; D51-Q55 PolarHBondContact O-NE2 2.82Å; D51-Q55 VanDerWaalsContact O-NE2 3.15Å
52L55.9Low52.3Low73 Ų7398.1 Ų98.138%0.38253%0.525SS..Hα-helixtrans-82.3-42.2168.9-109.7164.3000111.1L48 S49 Q55 I56L48-L52 WeakPolarHBondContact O-CB 3.28Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-L52 VanDerWaalsContact O-N 3.14Å; L52-Q55 CarbonylContact O-C 3.58Å; L52-Q55 WeakPolarHBondContact O-CA 3.36Å; L52-Q55 WeakPolarHBondContact O-CB 3.47Å; L52-Q55 PolarHBondContact O-N 3.43Å; L52-I56 HydrophobicContact CD2-CD1 4.48Å; L52-I56 WeakPolarHBondContact O-CG1 3.47Å; L52-I56 PolarHBondContact O-N 3.08Å
53E60Low52.3Low133 Ų13397.7 Ų97.762%0.62151%0.514SS*.Hα-helixtrans-63.5-42.9178.5-164.4157.3-129.200110.4S49 Q55 I56 E57S49-E53 VanDerWaalsContact O-CB 3.25Å; S49-E53 WeakPolarHBondContact O-CB 3.26Å; S49-E53 PolarHBondContact O-N 3.41Å; E53-Q55 PolarHBondContact O-N 2.89Å; E53-I56 PolarHBondContact O-N 3.06Å; E53-E57 VanDerWaalsContact O-CB 3.31Å; E53-E57 WeakPolarHBondContact O-CB 3.41Å; E53-E57 PolarHBondContact O-N 2.95Å
54K62.8Low52.1Low87 Ų87100.3 Ų100.338%0.37853%0.525SS..Hα-helixtrans-66-14.7170.1-72.5167.5-173.8162.30115E50 K58E50-K54 HydrophobicContact CG-CD 4.44Å; E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 WeakPolarHBondContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CG 3.32Å; E50-K54 PolarHBondContact O-N 2.77Å; E50-K54 WeakPolarHBondContact OE1-CE 3.47Å; E50-K54 IonicContact OE1-NZ 3.64Å; E50-K54 PolarHBondContact OE1-NZ 3.42Å; E50-K54 IonicContact OE2-NZ 3.67Å; K54-K58 WeakPolarHBondContact O-CD 3.43Å; K54-K58 WeakPolarHBondContact O-CG 3.48Å
55Q55Low51.7Low119 Ų119100.2 Ų100.256%0.55652%0.519SS*.Hα-helixtrans-90.6-37.4170.3-78-179.364.100111.9D51 L52 E53 T59D51-Q55 WeakPolarHBondContact O-CG 3.41Å; D51-Q55 PolarHBondContact O-NE2 2.82Å; D51-Q55 VanDerWaalsContact O-NE2 3.15Å; L52-Q55 CarbonylContact O-C 3.58Å; L52-Q55 WeakPolarHBondContact O-CA 3.36Å; L52-Q55 WeakPolarHBondContact O-CB 3.47Å; L52-Q55 PolarHBondContact O-N 3.43Å; E53-Q55 PolarHBondContact O-N 2.89Å; Q55-T59 PolarHBondContact O-N 3.16Å; Q55-T59 VanDerWaalsContact O-N 3.14Å; Q55-T59 PolarHBondContact O-OG1 2.98Å
56I55.1Low50.9Low73 Ų73100.2 Ų100.237%0.37453%0.525SS..Hα-helixtrans-65.2-50.9173.8-67.8163.2000109.8L52 E53 K58 T59 E60L52-I56 HydrophobicContact CD2-CD1 4.48Å; L52-I56 WeakPolarHBondContact O-CG1 3.47Å; L52-I56 PolarHBondContact O-N 3.08Å; E53-I56 PolarHBondContact O-N 3.06Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.49Å; I56-T59 CarbonylContact O-C 3.57Å; I56-T59 WeakPolarHBondContact O-CA 3.26Å; I56-T59 WeakPolarHBondContact O-CB 3.11Å; I56-T59 PolarHBondContact O-N 2.92Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-E60 PolarHBondContact O-N 3.05Å
57E54.4Low50.3Low129 Ų129104 Ų10460%0.60354%0.538SS*.Hα-helixtrans-55.3-43.7176.8-174-177.2-143.800111.5E53 T59 E60 D61E53-E57 VanDerWaalsContact O-CB 3.31Å; E53-E57 WeakPolarHBondContact O-CB 3.41Å; E53-E57 PolarHBondContact O-N 2.95Å; E57-T59 PolarHBondContact O-N 3.08Å; E57-E60 PolarHBondContact O-N 3.2Å; E57-D61 WeakPolarHBondContact O-CB 3.38Å; E57-D61 PolarHBondContact O-N 3.48Å
58K57.2Low49.5Very low149 Ų149106 Ų10665%0.64855%0.551SS**Hα-helixtrans-64.5-24.2173.6-84.1179.4-178.9165.50114.7K54 I56K54-K58 WeakPolarHBondContact O-CD 3.43Å; K54-K58 WeakPolarHBondContact O-CG 3.48Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.49Å
59T51.7Low48.7Very low85 Ų85103.4 Ų103.452%0.52155%0.552SS.*Hα-helixtrans-86.1-41.8179-54.20000110.2Q55 I56 E57 L62 L63Q55-T59 PolarHBondContact O-N 3.16Å; Q55-T59 VanDerWaalsContact O-N 3.14Å; Q55-T59 PolarHBondContact O-OG1 2.98Å; I56-T59 CarbonylContact O-C 3.57Å; I56-T59 WeakPolarHBondContact O-CA 3.26Å; I56-T59 WeakPolarHBondContact O-CB 3.11Å; I56-T59 PolarHBondContact O-N 2.92Å; E57-T59 PolarHBondContact O-N 3.08Å; T59-L62 WeakPolarHBondContact O-CB 3.47Å; T59-L62 PolarHBondContact O-N 2.8Å; T59-L63 HydrophobicContact CG2-CD1 4.47Å; T59-L63 WeakPolarHBondContact O-CG 3.46Å; T59-L63 PolarHBondContact O-N 3.19Å
60E48.9Very low47.8Very low68 Ų68110.1 Ų110.132%0.31858%0.578SS.*Hα-helixtrans-65.3-42.7172.8-65.6-168.3140.300111.8K15 I56 E57 L62 L63 L64K15-E60 WeakPolarHBondContact CE-OE1 3.38Å; K15-E60 IonicContact NZ-OE1 2.69Å; K15-E60 PolarHBondContact NZ-OE1 3.42Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-E60 PolarHBondContact O-N 3.05Å; E57-E60 PolarHBondContact O-N 3.2Å; E60-L62 PolarHBondContact O-N 3.14Å; E60-L62 VanDerWaalsContact O-N 3.15Å; E60-L63 CarbonylContact O-C 3.59Å; E60-L63 WeakPolarHBondContact O-CA 3.42Å; E60-L63 PolarHBondContact O-N 3.42Å; E60-L64 HydrophobicContact CB-CD1 4.29Å; E60-L64 WeakPolarHBondContact O-CD1 3.43Å; E60-L64 PolarHBondContact O-N 3.22Å
61D46.6Very low46.5Very low94 Ų94115.5 Ų115.550%0.50360%0.599SS.*Hα-helixtrans-69.6-9177.4-166.347.5000113.5E57 K65E57-D61 WeakPolarHBondContact O-CB 3.38Å; E57-D61 PolarHBondContact O-N 3.48Å; D61-K65 PolarHBondContact O-NZ 3.31Å; D61-K65 IonicContact OD1-NZ 2.62Å; D61-K65 PolarHBondContact OD1-NZ 3.01Å; D61-K65 IonicContact OD2-NZ 3.72Å; D61-K65 PolarHBondContact OD2-NZ 2.85Å
62L45.9Very low45.5Very low147 Ų147121.6 Ų121.677%0.7762%0.615SS**Hα-helixtrans-92.1-21.5166.8-99.2166.5000113.4T59 E60T59-L62 WeakPolarHBondContact O-CB 3.47Å; T59-L62 PolarHBondContact O-N 2.8Å; E60-L62 PolarHBondContact O-N 3.14Å; E60-L62 VanDerWaalsContact O-N 3.15Å
63L44.9Very low44.4Very low103 Ų103128.4 Ų128.454%0.53964%0.642SS.*Hα-helixtrans-95.7-33180-68.4168.9000112.6T59 E60 K65T59-L63 HydrophobicContact CG2-CD1 4.47Å; T59-L63 WeakPolarHBondContact O-CG 3.46Å; T59-L63 PolarHBondContact O-N 3.19Å; E60-L63 CarbonylContact O-C 3.59Å; E60-L63 WeakPolarHBondContact O-CA 3.42Å; E60-L63 PolarHBondContact O-N 3.42Å; L63-K65 PolarHBondContact O-N 2.8Å
64L46.1Very low43.2Very low115 Ų115127.7 Ų127.760%0.60265%0.646SS**SBendtrans-86.511.3-174.8-88.283.1000115.5E60 P66E60-L64 HydrophobicContact CB-CD1 4.29Å; E60-L64 WeakPolarHBondContact O-CD1 3.43Å; E60-L64 PolarHBondContact O-N 3.22Å; L64-P66 WeakPolarHBondContact O-CD 3.39Å
65K37.9Very low42Very low112 Ų112133.4 Ų133.449%0.48767%0.671SS.*  trans-103.887.9179-71-163.5-175.966.80113.9D61 L63 V67D61-K65 PolarHBondContact O-NZ 3.31Å; D61-K65 IonicContact OD1-NZ 2.62Å; D61-K65 PolarHBondContact OD1-NZ 3.01Å; D61-K65 IonicContact OD2-NZ 3.72Å; D61-K65 PolarHBondContact OD2-NZ 2.85Å; L63-K65 PolarHBondContact O-N 2.8Å; K65-V67 VanDerWaalsContact C-N 3.28Å; K65-V67 HydrophobicContact CB-CG2 4.19Å; K65-V67 PolarHBondContact O-N 3.14Å
66P31.9Very low41.1Very low112 Ų112133.4 Ų133.473%0.72768%0.68SS**  trans-73.779.6168.632.6-35.6000110.4L64 V68L64-P66 WeakPolarHBondContact O-CD 3.39Å; P66-V68 VanDerWaalsContact C-N 3.25Å; P66-V68 PolarHBondContact O-N 3.15Å
67V36.8Very low40.3Very low126 Ų126134.1 Ų134.176%0.76469%0.691SS**  trans-72.880.9178.2-173.80000110.5K65 G69K65-V67 VanDerWaalsContact C-N 3.28Å; K65-V67 HydrophobicContact CB-CG2 4.19Å; K65-V67 PolarHBondContact O-N 3.14Å; V67-G69 PolarHBondContact O-N 3.18Å
68V33.9Very low39.7Very low141 Ų141135.8 Ų135.886%0.85570%0.702SS**  trans-68.9111.3169.5177.10000109P66P66-V68 VanDerWaalsContact C-N 3.25Å; P66-V68 PolarHBondContact O-N 3.15Å
69G30.2Very low38.9Very low59 Ų59136.2 Ų136.261%0.60871%0.706SS**  trans101.391.1157.600000117.3V67V67-G69 PolarHBondContact O-N 3.18Å
70Q34.5Very low38.6Very low187 Ų187136.4 Ų136.487%0.87471%0.711SS**  -159141.8110-105.6-175.332.100111.9R72Q70-R72 PolarHBondContact O-N 3.01Å
71K29.9Very low38.5Very low218 Ų218137 Ų13795%0.94873%0.728SS**  trans-86.297.2-171.1-69.2173.6-179.6168.30112.1
72R35.5Very low38.5Very low223 Ų223143.9 Ų143.984%0.84275%0.747SS**  trans-122.6122.7157.4-72.7-174.5178169.41.1110.2Q70 V74Q70-R72 PolarHBondContact O-N 3.01Å; R72-V74 VanDerWaalsContact C-N 3.34Å; R72-V74 PolarHBondContact O-N 3.36Å
73K32.7Very low38.5Very low217 Ų217140.3 Ų140.394%0.94373%0.733SS**  trans-7874.9-175.5-69.7-176.5177.6179.20111.9K75K73-K75 PolarHBondContact O-N 2.91Å
74V35.7Very low38.6Very low117 Ų117142.6 Ų142.671%0.70974%0.741SS**  trans-76.6118.5167.3-177.90000108.7R72 T76R72-V74 VanDerWaalsContact C-N 3.34Å; R72-V74 PolarHBondContact O-N 3.36Å; V74-T76 HydrophobicContact CG1-CG2 4.42Å; V74-T76 PolarHBondContact O-N 3.43Å; V74-T76 VanDerWaalsContact O-N 3.14Å
75K37.2Very low38.9Very low207 Ų207144.8 Ų144.890%0.975%0.748SS**  trans-77.590.2168.3-83.3-176.2172179.80109K73 S77K73-K75 PolarHBondContact O-N 2.91Å; K75-S77 PolarHBondContact O-N 3.42Å
76T37Very low39.3Very low120 Ų120141.4 Ų141.474%0.73674%0.738SS**  trans-63.8128.1165.642.30000109.3V74V74-T76 HydrophobicContact CG1-CG2 4.42Å; V74-T76 PolarHBondContact O-N 3.43Å; V74-T76 VanDerWaalsContact O-N 3.14Å
77S37.8Very low40.2Very low87 Ų87139.7 Ų139.761%0.60873%0.727SS**  trans-80.6127.2-177.2-1700000110.2K75 H79K75-S77 PolarHBondContact O-N 3.42Å; S77-H79 PolarHBondContact O-N 3.37Å
78I41.1Very low40.9Very low165 Ų165139.4 Ų139.485%0.84672%0.721SS**THydrogen-bonded Turntrans-80.345.5-173.5-39.6176.8000110.9
79H40.1Very low41.7Very low158 Ų158136.3 Ų136.373%0.73170%0.699SS**THydrogen-bonded Turntrans-133.7-4.5-164.7-71.8-10.1000115.8S77S77-H79 PolarHBondContact O-N 3.37Å
80S47Very low42.7Very low88 Ų88141.6 Ų141.662%0.61570%0.701SS**SBendtrans-84.8-46.7172.852.50000113.1R82 C83S80-R82 PolarHBondContact O-N 3.47Å; S80-C83 WeakPolarHBondContact O-CB 3.46Å; S80-C83 PolarHBondContact O-N 2.95Å
81A45Very low43.6Very low82 Ų82135.7 Ų135.768%0.67868%0.681SS**THydrogen-bonded Turntrans-62.1-4.2-170.800000116.5
82R47.2Very low44.6Very low238 Ų238132 Ų13290%0.89866%0.664SS**THydrogen-bonded Turntrans-98.4-4.8172.9-87.6-174.2171.2178.7-2.8114.4S80S80-R82 PolarHBondContact O-N 3.47Å
83C46.1Very low45.2Very low71 Ų71126.7 Ų126.748%0.4865%0.652SS.*THydrogen-bonded Turntrans-85-29.7-178.5-161.10000113.2S80 H85 S86 N89S80-C83 WeakPolarHBondContact O-CB 3.46Å; S80-C83 PolarHBondContact O-N 2.95Å; C83-H85 PolarHBondContact O-N 2.94Å; C83-H85 VanDerWaalsContact O-N 3.15Å; C83-S86 WeakPolarHBondContact O-CB 3.24Å; C83-S86 PolarHBondContact O-N 3.26Å; C83-S86 VanDerWaalsContact O-N 3.17Å; C83-N89 PolarHBondContact O-ND2 2.94Å
84E48Very low46Very low151 Ų151120.6 Ų120.671%0.70663%0.63SS**THydrogen-bonded Turntrans-70.3-9.7-173.4-64.5176.9-167.100114.4
85H50.8Low46.7Very low161 Ų161121.5 Ų121.575%0.74563%0.626SS**THydrogen-bonded Turntrans-114.511.8177.1-64.37.1000112.7C83C83-H85 PolarHBondContact O-N 2.94Å; C83-H85 VanDerWaalsContact O-N 3.15Å
86S48Very low47.2Very low42 Ų42115.7 Ų115.729%0.29461%0.608SS.*  trans-63.6130.3174.2179.80000111.2C83 L88 N89 R90C83-S86 WeakPolarHBondContact O-CB 3.24Å; C83-S86 PolarHBondContact O-N 3.26Å; C83-S86 VanDerWaalsContact O-N 3.17Å; S86-L88 PolarHBondContact O-N 3.23Å; S86-L88 VanDerWaalsContact O-N 3.14Å; S86-L88 PolarHBondContact OG-N 2.82Å; S86-N89 PolarHBondContact O-N 2.85Å; S86-R90 PolarHBondContact O-N 3.38Å
87P49.8Very low47.9Very low76 Ų76113.3 Ų113.349%0.49459%0.593SS.*Hα-helixtrans-54.3-32.1174.8-27.535.6000113.7N89 R90 S91P87-N89 VanDerWaalsContact C-N 3.32Å; P87-N89 PolarHBondContact O-N 3.45Å; P87-R90 PolarHBondContact O-N 3.45Å; P87-S91 PolarHBondContact O-N 2.98Å
88L51.5Low48.3Very low119 Ų119113.7 Ų113.762%0.62359%0.589SS**Hα-helixtrans-66.7-30.4178.8-126.374.5000113.3S86 S91S86-L88 PolarHBondContact O-N 3.23Å; S86-L88 VanDerWaalsContact O-N 3.14Å; S86-L88 PolarHBondContact OG-N 2.82Å; L88-S91 PolarHBondContact O-OG 3.5Å
89N50.3Low48.5Very low76 Ų76110.1 Ų110.141%0.40658%0.578SS.*Hα-helixtrans-82.1-34.9175.7-69.8-22.4000110.7C83 S86 P87 L93C83-N89 PolarHBondContact O-ND2 2.94Å; S86-N89 PolarHBondContact O-N 2.85Å; P87-N89 VanDerWaalsContact C-N 3.32Å; P87-N89 PolarHBondContact O-N 3.45Å; N89-L93 WeakPolarHBondContact O-CB 3.43Å; N89-L93 PolarHBondContact O-N 2.93Å
90R51.4Low48.8Very low170 Ų170109.5 Ų109.564%0.64258%0.575SS**Hα-helixtrans-67.6-36.9177.4-120.4-179.6-177.4-175.51.1113S86 P87 N94S86-R90 PolarHBondContact O-N 3.38Å; P87-R90 PolarHBondContact O-N 3.45Å; R90-N94 WeakPolarHBondContact O-CB 3.36Å; R90-N94 VanDerWaalsContact O-CG 3.31Å; R90-N94 PolarHBondContact O-N 3.29Å
91S53Low48.6Very low64 Ų64112.3 Ų112.345%0.44858%0.577SS.*Hα-helixtrans-65.1-47.6174.760.10000111.7P87 L88 L93 N94 Q95P87-S91 PolarHBondContact O-N 2.98Å; L88-S91 PolarHBondContact O-OG 3.5Å; S91-L93 PolarHBondContact O-N 3.14Å; S91-N94 PolarHBondContact O-N 3.27Å; S91-Q95 WeakPolarHBondContact O-CB 3.34Å; S91-Q95 PolarHBondContact O-N 3.46Å
92K52.3Low48Very low139 Ų139112.3 Ų112.360%0.60457%0.571SS**Hα-helixtrans-61.9-39.8177.7-69.6-174176.6-173.80112.6Q95 V96K92-Q95 PolarHBondContact O-N 3.15Å; K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 3.19Å; K92-V96 VanDerWaalsContact O-N 3.13Å
93L48.3Very low47.5Very low112 Ų112105.1 Ų105.159%0.58656%0.555SS**Hα-helixtrans-63.9-46175-169.268.2000111.9N89 S91 V96 V97N89-L93 WeakPolarHBondContact O-CB 3.43Å; N89-L93 PolarHBondContact O-N 2.93Å; S91-L93 PolarHBondContact O-N 3.14Å; L93-V96 PolarHBondContact O-N 3.44Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.89Å
94N49.7Very low47.1Very low90 Ų90105.5 Ų105.548%0.48156%0.564SS.*Hα-helixtrans-64.9-40177.4-72.7-0.4000112.1R90 S91 V96 V97 D98R90-N94 WeakPolarHBondContact O-CB 3.36Å; R90-N94 VanDerWaalsContact O-CG 3.31Å; R90-N94 PolarHBondContact O-N 3.29Å; S91-N94 PolarHBondContact O-N 3.27Å; N94-V96 VanDerWaalsContact C-N 3.28Å; N94-V96 PolarHBondContact O-N 3.13Å; N94-V97 PolarHBondContact O-N 2.83Å; N94-V97 VanDerWaalsContact O-N 3.13Å; N94-D98 PolarHBondContact O-N 2.74Å
95Q48.9Very low46.7Very low135 Ų135107.3 Ų107.363%0.63157%0.57SS**Hα-helixtrans-62.7-34.6178-164.3175.131.700111.9S91 K92 S99S91-Q95 WeakPolarHBondContact O-CB 3.34Å; S91-Q95 PolarHBondContact O-N 3.46Å; K92-Q95 PolarHBondContact O-N 3.15Å; Q95-S99 WeakPolarHBondContact O-CB 3.49Å; Q95-S99 PolarHBondContact O-N 2.66Å; Q95-S99 VanDerWaalsContact O-N 3.11Å; Q95-S99 PolarHBondContact O-OG 3.37Å
96V48.6Very low46.1Very low85 Ų85106.8 Ų106.852%0.51557%0.571SS.*Hα-helixtrans-69.6-47.3169.8172.30000111.3K92 L93 N94 D98 S99 H100K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 3.19Å; K92-V96 VanDerWaalsContact O-N 3.13Å; L93-V96 PolarHBondContact O-N 3.44Å; N94-V96 VanDerWaalsContact C-N 3.28Å; N94-V96 PolarHBondContact O-N 3.13Å; V96-D98 PolarHBondContact O-N 3.25Å; V96-S99 PolarHBondContact O-N 2.88Å; V96-H100 PolarHBondContact O-CD2 3.43Å; V96-H100 PolarHBondContact O-N 2.89Å
97V50.8Low45.7Very low71 Ų71110.5 Ų110.543%0.4359%0.587SS.*Hα-helixtrans-60.6-41.1-179.6168.30000112.6L93 N94 H100L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.89Å; N94-V97 PolarHBondContact O-N 2.83Å; N94-V97 VanDerWaalsContact O-N 3.13Å; V97-H100 PolarHBondContact O-N 3.1Å
98D46.9Very low45.2Very low95 Ų95115.7 Ų115.751%0.50860%0.602SS.*Hα-helixtrans-78.8-31.5178.5-72.1-34.4000112.7N94 V96 H100 K101N94-D98 PolarHBondContact O-N 2.74Å; V96-D98 PolarHBondContact O-N 3.25Å; D98-H100 PolarHBondContact O-N 2.62Å; D98-K101 PolarHBondContact O-N 3.29Å; D98-K101 VanDerWaalsContact O-N 3.1Å; D98-K101 IonicContact OD1-NZ 3.16Å; D98-K101 PolarHBondContact OD1-NZ 3.43Å
99S45.7Very low44.6Very low90 Ų90117 Ų11763%0.62961%0.61SS**Hα-helixtrans-60.9-24.9170.7-65.70000113.1Q95 V96Q95-S99 WeakPolarHBondContact O-CB 3.49Å; Q95-S99 PolarHBondContact O-N 2.66Å; Q95-S99 VanDerWaalsContact O-N 3.11Å; Q95-S99 PolarHBondContact O-OG 3.37Å; V96-S99 PolarHBondContact O-N 2.88Å
100H46.6Very low44Very low144 Ų144116.5 Ų116.567%0.66761%0.612SS**THydrogen-bonded Turntrans-85.8-5.7178.6-78.3-124.2000113.7V96 V97 D98 S102V96-H100 PolarHBondContact O-CD2 3.43Å; V96-H100 PolarHBondContact O-N 2.89Å; V97-H100 PolarHBondContact O-N 3.1Å; D98-H100 PolarHBondContact O-N 2.62Å; H100-S102 PolarHBondContact O-N 2.83Å
101K42.3Very low43.5Very low148 Ų148119.1 Ų119.164%0.64362%0.622SS**SBendtrans-8937.2-179.2-70.6178.3-170.6153.10115.6D98D98-K101 PolarHBondContact O-N 3.29Å; D98-K101 VanDerWaalsContact O-N 3.1Å; D98-K101 IonicContact OD1-NZ 3.16Å; D98-K101 PolarHBondContact OD1-NZ 3.43Å
102S31.8Very low42.9Very low81 Ų81125.6 Ų125.657%0.56664%0.642SS**  trans166.7104.7145.2167.70000114.8H100H100-S102 PolarHBondContact O-N 2.83Å
103P36.6Very low42.3Very low87 Ų87125.9 Ų125.957%0.56565%0.65SS**SBendtrans-103.6-8146.634.1-30.8000113.1K105 L106P103-K105 VanDerWaalsContact C-N 3.27Å; P103-K105 PolarHBondContact O-N 2.94Å; P103-K105 VanDerWaalsContact O-N 3.08Å; P103-L106 PolarHBondContact O-N 3.29Å
104A38.1Very low41.8Very low80 Ų80124.8 Ų124.866%0.66165%0.651SS**THydrogen-bonded Turntrans-68.3-10.4-164.800000116.6
105K39.9Very low41.3Very low189 Ų189128.8 Ų128.882%0.82266%0.664SS**THydrogen-bonded Turntrans-115.1-4.3-178.7-67.9-170.8177.2-177.70115.6P103P103-K105 VanDerWaalsContact C-N 3.27Å; P103-K105 PolarHBondContact O-N 2.94Å; P103-K105 VanDerWaalsContact O-N 3.08Å
106L37.3Very low40.9Very low150 Ų150130.8 Ų130.879%0.78567%0.674SS**THydrogen-bonded Turntrans-92-18.3175.9-85164000114.1P103 K108P103-L106 PolarHBondContact O-N 3.29Å; L106-K108 PolarHBondContact O-N 2.85Å
107L40.5Very low40.3Very low120 Ų120135.1 Ų135.163%0.62869%0.693SS**THydrogen-bonded Turntrans-84.9-1.8-174.9-86.2161.3000116
108K39.4Very low39.6Very low185 Ų185140.1 Ų140.180%0.80470%0.704SS**THydrogen-bonded Turntrans-88.3-11.5179.1-70.4-168.5176.2-175.20114.8L106L106-K108 PolarHBondContact O-N 2.85Å
109N37.9Very low38.9Very low146 Ų146141.2 Ų141.278%0.78172%0.719SS**SBendtrans-100.9-17.1178.3-72.5-4.8000114.5R111N109-R111 PolarHBondContact O-N 2.85Å
110S38.2Very low38.4Very low66 Ų66141.3 Ų141.346%0.46273%0.725SS.*G310 helixtrans-78.2-15.6-176.553.50000114.9K112S110-K112 VanDerWaalsContact C-N 3.29Å; S110-K112 PolarHBondContact O-N 3.14Å
111R40Very low38.1Very low224 Ų224143.7 Ų143.785%0.84573%0.734SS**G310 helixtrans-80.47.9-179-77.9-172.1173.8-178.7-0.4115.7N109N109-R111 PolarHBondContact O-N 2.85Å
112K41.8Very low38Very low201 Ų201143.6 Ų143.687%0.87474%0.741SS**G310 helixtrans-106-5.1177-81-170.3174-176.80116S110S110-K112 VanDerWaalsContact C-N 3.29Å; S110-K112 PolarHBondContact O-N 3.14Å
113L39.3Very low38.2Very low145 Ų145145.2 Ų145.276%0.75975%0.752SS**SBendtrans-104.1-14-179.5-74.3165.9000114.7K115L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.29Å
114S37.8Very low38.1Very low88 Ų88146.8 Ų146.862%0.61576%0.762SS**THydrogen-bonded Turntrans-88.425.5-176.454.90000115.5
115K39.7Very low38.1Very low174 Ų174151.8 Ų151.876%0.75777%0.769SS**THydrogen-bonded Turntrans-122-1.1175.5-88.5-170.8174.3-175.20115.3L113L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.29Å
116Q39.8Very low37.8Very low178 Ų178150.9 Ų150.983%0.83277%0.767SS**SBendtrans-99.8-8-179.8-143.1167.710.600114.1
117L36Very low37.7Very low175 Ų175150.1 Ų150.192%0.91677%0.769SS**  trans-108.483.1167.3-78.5165.5000109.2
118R35.6Very low37.4Very low176 Ų176153 Ų15366%0.66478%0.779SS**  trans-141.293.4173.8-164.7178.4-63.7-142-4.3110.5
119S33.1Very low37.3Very low118 Ų118149.6 Ų149.683%0.82578%0.776SS**  trans38.482153.560.40000116.5
120A34.4Very low37.2Very low92 Ų92150.7 Ų150.776%0.7678%0.776SS**  trans-131.1137.9158.700000108
121K40Very low37.1Very low195 Ų195153.2 Ų153.285%0.84879%0.785SS**  trans84.5136.3-165.3-56.9-169165.7-174.50116.8
122D41.1Very low36.6Very low146 Ų146148.5 Ų148.578%0.78178%0.775SS**  cis-160.6166.5-32.8-115.2-38.9000110
123S35.6Very low36.1Very low114 Ų114148.4 Ų148.480%0.79778%0.775SS**  trans-77147.3179.9-66.30000113.2
124P35Very low35.9Very low120 Ų120149.8 Ų149.878%0.77978%0.778SS**  trans-91.6150.4-172.835.4-36000114.5
125K37Very low35.8Very low186 Ų186150.5 Ų150.581%0.80978%0.78SS**  trans-170.6133.4147.5-108.7165.8-177.5-178.70112.9
126Q34.7Very low35.5Very low170 Ų170148 Ų14879%0.79479%0.785SS**  trans31.5136.2142.8-55170.6-74.300118.9
127T34.6Very low35.2Very low133 Ų133142.7 Ų142.782%0.81678%0.778SS**  -157.8-171.551.4-58.20000112.1
128E34.5Very low35.1Very low181 Ų181142 Ų14285%0.84678%0.775SS**  trans-71.9167.6-162-76.5-176.9105.600120.3
129P37.1Very low34.9Very low114 Ų114141.5 Ų141.574%0.7478%0.782SS**  trans-110.5170.3-17942.3-34.4000115.3
130Q36.9Very low34.9Very low168 Ų168140.8 Ų140.879%0.78578%0.776SS**  trans-171.6141.2145.7-113-171.464.300114.2
131N34.5Very low34.9Very low120 Ų120142.2 Ų142.264%0.64277%0.771SS**  trans55.1150135.1-68.7-14.4000121.9
132I30.7Very low34.5Very low125 Ų125139.7 Ų139.764%0.64177%0.766SS**  cis-167.4167.2-5.3-116.6168.6000111.9
133F31.5Very low34.2Very low198 Ų198141.1 Ų141.187%0.86877%0.765SS**  trans77.2143.6161-87.8-52.6000124.6
134Q33.6Very low33.8Very low174 Ų174140.8 Ų140.881%0.81376%0.763SS**  trans-119-158.8161.8-70-166.1-16.900107.4
135P36.9Very low33.7Very low103 Ų103144.3 Ų144.367%0.66977%0.768SS**  cis-150.5-171.53.645.2-23.3000119.7
136S32.2Very low33.4Very low122 Ų122144.7 Ų144.785%0.85377%0.77SS**  trans92.2149.1140.275.80000123.8
137G35Very low33.2Very low66 Ų66142.2 Ų142.268%0.6877%0.769SS**  trans108.496.4170.200000115.2
138N33.7Very low33.1Very low162 Ų162144 Ų14487%0.86677%0.768SS**  57.6136.372.3-65-2.6000114
139M31.5Very low32.7Very low164 Ų164143.9 Ų143.981%0.80877%0.772SS**  cis-166.7161.429.7-146.2170.872.200113.6
140C33.6Very low32.5Very low104 Ų104145.4 Ų145.470%0.70377%0.773SS**  trans57.8140.5165.1-630000120.7
141D32.5Very low32.2Very low121 Ų121144.3 Ų144.365%0.64777%0.773SS**  cis105.1121.122-111.9-37.5000115.6
142L32.6Very low31.9Very low142 Ų142144 Ų14474%0.74378%0.78SS**  169.4122.2125.2-90.7154.2000115.4
143K33.7Very low31.9Very low177 Ų177142.9 Ų142.977%0.7778%0.783SS**  trans52.899.4146.8-69.2170.7-1731710122.8
144S28.6Very low32.1Very low106 Ų106140.9 Ų140.974%0.74178%0.78SS**  24.7130.1125.762.10000122.7
145H32.1Very low32.1Very low195 Ų195140.3 Ų140.390%0.90378%0.782SS**  trans-150161.1141.6-122.6-97.3000112
146K30.7Very low31.8Very low193 Ų193143.6 Ų143.684%0.83979%0.788SS**  trans-81151.2-178.2-67.3178.6176.51780113.7
147P31.9Very low31.7Very low118 Ų118143.5 Ų143.577%0.76678%0.782SS**  -104.8132129.633.9-27.4000109.3
148Q31.4Very low31.6Very low171 Ų171145 Ų14580%0.79978%0.779SS**  76.1111.353.5-70.9-162.6-15.200114.6
149L26.7Very low31.3Very low178 Ų178147.3 Ų147.393%0.93278%0.781SS**  trans-76.7127.3164.8-87.4149.8000110
150L32.1Very low31.3Very low147 Ų147144.6 Ų144.677%0.7778%0.777SS**  trans-158.9145.6165.2-80.8172.8000107.3
151D30.4Very low31.2Very low144 Ų144145 Ų14577%0.7778%0.779SS**  cis-154.7161.7-32.8-159-6.4000107.9
152S29Very low31.4Very low114 Ų114145.2 Ų145.280%0.79778%0.784SS**  trans-96.9118.5-175.2-63.60000113.2
153S30.9Very low31.3Very low102 Ų102146.2 Ų146.271%0.71379%0.79SS**  trans-165161.4160.551.30000112.3
154I34.6Very low31.5Very low155 Ų155147 Ų14780%0.79579%0.794SS**  trans69.4106.7179.2-46.6163.9000111
155L34.5Very low31.6Very low162 Ų162151.3 Ų151.385%0.84880%0.802SS**  cis-129.6135.537.8-71.7163.8000114.3
156Q31.1Very low31.7Very low172 Ų172147.7 Ų147.780%0.80480%0.798SS**  trans-83.9169.6143.1-60.2172.9-29.600107.1
157T29.8Very low31.7Very low120 Ų120145.9 Ų145.974%0.73680%0.796SS**  cis-155.1171.917.3-220000106.2
158T32.5Very low31.8Very low98 Ų98147.3 Ų147.360%0.60180%0.796SS**  cis-152.5153.920.1-49.50000110.2C160T158-C160 VanDerWaalsContact CG2-SG 3.51Å
159F26.7Very low31.7Very low211 Ų211144.1 Ų144.193%0.92579%0.793SS**  trans-132.7131.9152.5-108.3-92000107.6
160C32.6Very low32.1Very low107 Ų107141.6 Ų141.672%0.72379%0.785SS**  trans-126.6110.3177.8-75.70000111T158T158-C160 VanDerWaalsContact CG2-SG 3.51Å
161P31.2Very low32.2Very low112 Ų112140.7 Ų140.773%0.72778%0.781SS**  trans-94.5131.7155.934-26.5000109.9
162T37.2Very low32.3Very low125 Ų125140.8 Ų140.877%0.76778%0.78SS**  trans-145.692.2167.344.80000110.4
163D30.5Very low32.6Very low163 Ų163140.4 Ų140.487%0.87278%0.777SS**  trans-66.7130.7153.4-61.3-61.9000108.5
164K38.1Very low32.6Very low195 Ų195142.8 Ų142.885%0.84878%0.782SS**  trans-143.5118.6159.8-76.3-158.5173.6-170.90109.8
165E30.8Very low32.7Very low195 Ų195141.5 Ų141.591%0.91179%0.786SS**  trans-61.2143.3166.9-57.5168.111900109.9
166C33.4Very low32.7Very low119 Ų119140.9 Ų140.980%0.80478%0.779SS**  trans-148.1111.2157.1-157.80000109.5
167L30.4Very low33.2Very low155 Ų155138.6 Ų138.681%0.81278%0.779SS**  trans-78.5126.1177.1-69.9155.7000110.2
168I34.8Very low33.3Very low148 Ų148139.9 Ų139.976%0.75978%0.777SS**  trans-142.9127.1146.6-82.1109.2000107.5
169S28.5Very low33.6Very low105 Ų105141.1 Ų141.173%0.73479%0.789SS**  trans-127.3108.6179.8-62.40000111
170T35.7Very low33.9Very low124 Ų124139.6 Ų139.676%0.76178%0.782SS**  trans-165.8152.1166.234.10000109
171N34.7Very low34Very low129 Ų129146.6 Ų146.669%0.6979%0.794SS**  cis-175135.9-34.4-129.8-13.6000106.1
172I32.2Very low34Very low146 Ų146147.9 Ų147.975%0.74980%0.799SS**  trans63125.9152.8-56.9157.3000115.6
173S34.5Very low34.1Very low106 Ų106147.3 Ų147.374%0.74180%0.801SS**  cis-164.2178.146-149.90000113.9
174N31.4Very low34.2Very low152 Ų152146.8 Ų146.881%0.81380%0.798SS**  trans-84.7152.6-178.4-50.7-58.4000114.3
175S37Very low34Very low127 Ų127145 Ų14589%0.88880%0.796SS**  -176.4138.3121.331.80000113.2
176E34.5Very low34.3Very low150 Ų150142.4 Ų142.470%0.70178%0.784SS**  trans-110156.5166.4-172.1-168.3164.300107.8Q178E176-Q178 WeakPolarHBondContact OE1-CG 3.27Å
177P40.2Very low34.2Very low123 Ų123145 Ų14580%0.79978%0.784SS**  trans-139.513813435.7-23.2000114.7
178Q32.7Very low34.6Very low148 Ų148148.2 Ų148.269%0.69279%0.785SS**  trans-79.2154.9164.3-58.9-174.8400111.8E176E176-Q178 WeakPolarHBondContact OE1-CG 3.27Å
179S38Very low34.6Very low123 Ų123150.1 Ų150.186%0.8679%0.788SS**  trans-154.7151.6142.5-164.80000111.9
180K33.9Very low34.8Very low180 Ų180150.3 Ų150.378%0.78379%0.788SS**  trans-110.9145.1-179.7-61171.4-179.3172.50110.3
181R34.6Very low34.9Very low254 Ų254151.3 Ų151.396%0.95879%0.789SS**  trans-160.1157.5144.8-118.2170.2-177.5175.90.4113
182T31.2Very low34.9Very low138 Ų138153.6 Ų153.685%0.84780%0.796SS**  trans-143.8125.8-166.649.20000112.2
183S39.8Very low35.1Very low114 Ų114154.7 Ų154.780%0.79780%0.801SS**  trans-171.7115.8163.447.80000106.9
184N31.2Very low35.1Very low152 Ų152156.5 Ų156.581%0.81380%0.803SS**  64135.361.6-79.80.6000115
185I35Very low35.3Very low156 Ų156158.3 Ų158.380%0.881%0.806SS**  trans76.2136.8168-60.2151.4000113.1
186E36.7Very low35.1Very low141 Ų141156.8 Ų156.866%0.65980%0.796SS**  cis-139.7164.38.8-151.5171.1121.700112.5R188E186-R188 IonicContact OE1-CZ 2.79Å; E186-R188 IonicContact OE1-NE 2.7Å; E186-R188 PolarHBondContact OE1-NE 2.74Å; E186-R188 IonicContact OE1-NH2 2.67Å; E186-R188 PolarHBondContact OE1-NH2 2.92Å
187E31.1Very low35.2Very low174 Ų174158.6 Ų158.681%0.81380%0.804SS**  trans-81.3149.2163.7-61.3-175.4125.300111.9
188R38.2Very low34.8Very low222 Ų222161.4 Ų161.484%0.83881%0.811SS**  trans-155.9153.1144.9-117.9162.1-110.4-156.2-1.7112.3E186E186-R188 IonicContact OE1-CZ 2.79Å; E186-R188 IonicContact OE1-NE 2.7Å; E186-R188 PolarHBondContact OE1-NE 2.74Å; E186-R188 IonicContact OE1-NH2 2.67Å; E186-R188 PolarHBondContact OE1-NH2 2.92Å
189K36.5Very low34.8Very low188 Ų188161.1 Ų161.182%0.81782%0.815SS**  trans-100.8166.5-167.1-68.8176.4174.8174.50112.7
190C32.3Very low34.5Very low109 Ų109162.5 Ų162.574%0.73681%0.811SS**  trans73.7150.2153.7-81.30000116.5
191D37.9Very low34.3Very low145 Ų145159.6 Ų159.678%0.77581%0.813SS**  cis-133.8161.112.5-100.7-46.3000117
192Q34.4Very low34.1Very low178 Ų178159.1 Ų159.183%0.83281%0.811SS**  trans-42.8130.6172178.317896.700117.3
193I36.6Very low34.3Very low169 Ų169159.8 Ų159.887%0.86782%0.815SS**  trans-128150.8153.7-65.1-176.9000108.3
194N33.2Very low34Very low144 Ų144157.4 Ų157.477%0.7781%0.809SS**  trans-114.2114.1-161.7-17840.2000112.1
195E36.6Very low34.2Very low189 Ų189158 Ų15888%0.88381%0.812SS**  trans-118.3104.2169.4-72.6-164.4172.200111.3
196S33.2Very low34.3Very low96 Ų96158.5 Ų158.567%0.67182%0.815SS**  trans-72.4160.4154.949.80000110.6
197E35.5Very low34.1Very low188 Ų188160.1 Ų160.188%0.87982%0.822SS**  trans79.455.5174-49.7-164.6167.700118
198L33.4Very low34.1Very low181 Ų181159.4 Ų159.495%0.94882%0.821SS**  trans-133.7115.3145.4-115.9169.8000110.9
199N31.2Very low33.8Very low143 Ų143152.8 Ų152.877%0.76581%0.808SS**  trans-110.6150.4-161.5-142.7-25.5000111.8
200I31.7Very low33.3Very low151 Ų151149.2 Ų149.277%0.77481%0.814SS**  trans68.375.9168.4-44.4162.8000115.6
201S30.4Very low33.3Very low119 Ų119151.1 Ų151.183%0.83281%0.812SS**SBendtrans-163.1138143.9-87.80000111.7
202R31.2Very low33Very low244 Ų244154.1 Ų154.192%0.92182%0.818SS**  trans57.3113.4-176.5-75.6-179167.7168.9-4.5116.3
203T34.9Very low32.9Very low152 Ų152152.8 Ų152.893%0.93382%0.816SS**  trans-160.1140.6158-11.40000108.3
204G33.9Very low33Very low64 Ų64149.5 Ų149.566%0.6681%0.808SS**  cis-160.8162.4-7.300000112.4
205D35Very low32.9Very low164 Ų164151 Ų15188%0.87781%0.81SS**  trans-68.1143.5169.3-57.2-79000110.7
206I35.9Very low32.8Very low167 Ų167150.9 Ų150.986%0.85681%0.807SS**  trans-112.3108.8159.9-65.7179.7000107
207Q33.3Very low32.9Very low175 Ų175155.2 Ų155.282%0.81881%0.814SS**  trans-61.3139.4166.5-59.7172.3-1000109.3
208M30.8Very low32.9Very low160 Ų160156.8 Ų156.879%0.78881%0.812SS**  trans-163.6127.9134.1-95.7-39.6-74.500112.5
209S31.9Very low33Very low82 Ų82158 Ų15857%0.57381%0.809SS**  trans36.4104.5153.4570000119.9Q211S209-Q211 PolarHBondContact O-N 3.23Å
210A27Very low33.2Very low113 Ų113158.8 Ų158.893%0.93481%0.813SS**  trans-70.193.2153.200000110.3
211Q32Very low33.3Very low149 Ų149157.1 Ų157.170%0.69681%0.814SS**  trans-91.2109.4179.6-169172.35.800111.5S209 L213S209-Q211 PolarHBondContact O-N 3.23Å; Q211-L213 HydrophobicContact CG-CG 4.49Å; Q211-L213 PolarHBondContact O-N 2.99Å; Q211-L213 VanDerWaalsContact O-N 3.16Å
212K30.2Very low33.3Very low208 Ų208158.4 Ų158.490%0.90481%0.809SS**  trans-59.7115.2164.3-74.3-179.2176.6178.60109.1
213L34Very low33.5Very low150 Ų150154.5 Ų154.579%0.78581%0.806SS**  trans-111123.7162-82.1170.3000109.2Q211Q211-L213 HydrophobicContact CG-CG 4.49Å; Q211-L213 PolarHBondContact O-N 2.99Å; Q211-L213 VanDerWaalsContact O-N 3.16Å
214S38.2Very low33.4Very low101 Ų101152.4 Ų152.471%0.70679%0.793SS**  trans-77.5153.3-167.253.20000113.2K216S214-K216 PolarHBondContact O-N 2.9Å
215E30.3Very low33.5Very low174 Ų174154.4 Ų154.481%0.81380%0.797SS**  trans-46.5126.7159.1-61.9-178.39600110.6
216K34.5Very low33.5Very low187 Ų187153.5 Ų153.581%0.81379%0.792SS**  trans-133.380.6169-158.8156.3-169.9169.40111.2S214 R218S214-K216 PolarHBondContact O-N 2.9Å; K216-R218 PolarHBondContact O-N 3.34Å
217K35.8Very low33.3Very low187 Ų187156.5 Ų156.581%0.81380%0.795SS**  trans-47104.9169.4-68.8173.7-179.6168.90109.8
218R35.5Very low33.6Very low222 Ų222156.6 Ų156.684%0.83880%0.795SS**  trans-97.6100.6162.1-95.8-174.3-77.7173.6-4108.5K216 L220K216-R218 PolarHBondContact O-N 3.34Å; R218-L220 PolarHBondContact O-N 3.46Å
219K35.8Very low33.8Very low205 Ų205153.7 Ų153.789%0.89179%0.788SS**  trans-60.5128.7152.6-67.3-177177.3-176.80106.6
220L34.2Very low33.9Very low161 Ų161157.4 Ų157.484%0.84380%0.801SS**  trans-113.4144.4156.3-84.4168.8000107.2R218R218-L220 PolarHBondContact O-N 3.46Å
221S35.2Very low34.3Very low115 Ų115158 Ų15880%0.80479%0.793SS**  trans-71.3153.5-170.4-165.30000111.8
222M29.6Very low34.6Very low147 Ų147159.8 Ų159.872%0.72480%0.798SS**  trans-57.1141.7149.1-79.6-73.4-6300108.9T224M222-T224 HydrophobicContact CE-CG2 3.53Å
223D35.1Very low34.6Very low161 Ų161161 Ų16186%0.86180%0.797SS**  trans-135.3143.1153.5-146-21.8000107.8
224T33.4Very low34.7Very low108 Ų108160.9 Ų160.966%0.66380%0.803SS**  trans-126.4115.7-162.751.10000113.4M222M222-T224 HydrophobicContact CE-CG2 3.53Å
225S35.9Very low34.4Very low106 Ų106160.4 Ų160.474%0.74180%0.799SS**  trans-156.4150.3156.353.90000111.7
226D35.7Very low34.7Very low145 Ų145162.6 Ų162.678%0.77581%0.807SS**  trans53.296158.8-54.8-21.4000119.5
227Y31.8Very low34.6Very low231 Ų231160.9 Ų160.991%0.90681%0.806SS**  -171.8117106-112.8-81.6000112.1
228Q38.1Very low34.7Very low176 Ų176161 Ų16182%0.82281%0.807SS**  trans-79.6137.4178.8-84.7-81.9-7.400113
229P36.2Very low34.8Very low100 Ų100158.1 Ų158.165%0.64981%0.806SS**  trans-84.3118.6173.232.3-32.4000112.2V231P229-V231 PolarHBondContact O-N 3.5Å
230L33.5Very low34.8Very low160 Ų160151.1 Ų151.184%0.83879%0.793SS**  trans-74.294.1-176.3-166.280000113.3
231V34.6Very low34.9Very low125 Ų125151.3 Ų151.376%0.75879%0.794SS**  trans-87.2113.2171.2179.90000110.6P229P229-V231 PolarHBondContact O-N 3.5Å
232K40.2Very low34.8Very low187 Ų187151.5 Ų151.581%0.81379%0.79SS**  trans-87.5113.5167.6-80.4-169.4174.9-172.40110.7
233R29.5Very low35.2Very low233 Ų233151 Ų15188%0.87980%0.796SS**  trans-70.4141.2168.7-76.1171.6152.3150-8.9111.1
234T36.5Very low35.2Very low148 Ų148151.1 Ų151.191%0.90879%0.791SS**  trans-132.7134.9140.241.90000107.9
235S32.2Very low35.6Very low91 Ų91151.7 Ų151.764%0.63680%0.8SS**  trans-112.6147.8-16752.50000112.4
236F35.3Very low35.7Very low219 Ų219154.4 Ų154.496%0.96180%0.798SS**  trans-144135.8144.4-98.8-75.1000110.2
237N32.3Very low35.8Very low152 Ų152156.8 Ų156.881%0.81380%0.804SS**  trans-98.4144-175.4-73.6-24.1000111.9
238K38.2Very low36Very low188 Ų188152.5 Ų152.582%0.81780%0.797SS**  -164.6121.3129.1-119.3172.8176.4177.90113.7
239I38.3Very low36.1Very low162 Ų162148.6 Ų148.683%0.83179%0.785SS**  trans37.9128.9139.3-52.8170.4000117.8
240G35.1Very low36.2Very low59 Ų59151.6 Ų151.661%0.60879%0.79SS**  cis164.8-178.31.600000112.4
241L36.5Very low36.4Very low164 Ų164150.4 Ų150.486%0.85979%0.785SS**  trans69.1118-176.3-53.4164.6000113.6
242T32.2Very low36.7Very low119 Ų119152.3 Ų152.373%0.7379%0.785SS**  cis64.6131.349.274.40000113.2
243T38.6Very low36.4Very low137 Ų137147.1 Ų147.184%0.8478%0.777SS**  cis-135.617238.2450000115.8
244E35.4Very low37.1Very low164 Ų164141.7 Ų141.777%0.76677%0.772SS**  trans-88.7162.3177.2-57.8-174.8107.100113.6
245S42.1Very low37.4Very low120 Ų120139.9 Ų139.984%0.83976%0.763SS**  trans-152.8144.6134.4-172.90000110.1
246K37.3Very low37.7Very low162 Ų162143.6 Ų143.670%0.70477%0.767SS**  trans-128.5144171.7-63.1174.2-173.4164.60108.1
247H38.9Very low37.8Very low196 Ų196138.6 Ų138.691%0.90775%0.751SS**  trans-144.1168.4137.5-123.8-88.4000110.2
248N35.4Very low38.1Very low140 Ų140138.6 Ų138.675%0.74975%0.746SS**  trans-147.6-177.2-153.9-156.234.4000109.7
249V41.2Very low38.1Very low94 Ų94136.9 Ų136.957%0.5774%0.741SS**  trans81.5112.2157162.40000117.6
250E37.8Very low38Very low163 Ų163136 Ų13676%0.76274%0.737SS**  trans58.9162.2140.4-70134.5-130.500119.8
251D37.8Very low38.3Very low136 Ų136140.7 Ų140.773%0.72775%0.747SS**  cis-153.217415.1-149.3-6.1000115
252E39.3Very low38.1Very low165 Ų165140.1 Ų140.177%0.77175%0.745SS**  trans67.3167.7154.4-87.8-63.9166.800122.4
253A35.8Very low38.2Very low77 Ų77143 Ų14364%0.63676%0.755SS**  trans-126.6161.6-151.200000116.5
254P43.5Very low38Very low120 Ų120142.3 Ų142.378%0.77975%0.751SS**  trans-90.5168.1177.639.3-37.9000112.5
255P43.3Very low37.8Very low109 Ų109142.3 Ų142.371%0.70875%0.753SS**  -158.7-171.599.141.9-22.5000116.3
256K37.3Very low37.6Very low170 Ų170141.6 Ų141.674%0.73975%0.745SS**  trans74.9152.3158-66.1172.3153.6-80.70117.7
257D38.3Very low37.3Very low113 Ų113141.5 Ų141.560%0.60475%0.751SS**  cis-155.7147.9-14.2-103.2-22.6000111.2
258E38.1Very low36.8Very low152 Ų152135 Ų13571%0.7174%0.738SS**  trans55.6165.8149.6-65.5-162.6179.300124.7
259Q38.4Very low36.9Very low153 Ų153137.1 Ų137.172%0.71574%0.743SS**  trans65.3112.3151.5-80.2168.267.600118
260L36.4Very low36.2Very low144 Ų144137.3 Ų137.375%0.75476%0.755SS**  179.916658.3-107.5158000114
261L41Very low36.4Very low157 Ų157135.6 Ų135.682%0.82276%0.758SS**  trans72.5122.5156.9-69.9164.4000121.6
262N32.4Very low36.3Very low152 Ų152133.8 Ų133.881%0.81376%0.761SS**  trans-75.3155.4163-54.3-66.8000111.4
263L34.3Very low35.8Very low179 Ų179132.9 Ų132.994%0.93777%0.767SS**  trans-147.1140.5153-126.8156.4000111
264T34.4Very low35.8Very low123 Ų123135.7 Ų135.776%0.75578%0.777SS**  trans-101.4155.2-160.1-47.50000112.7
265M32Very low35.2Very low163 Ų163134.1 Ų134.180%0.80377%0.774SS**  trans-49171.4158.1-61.9-71.8-74.400112.2
266P36.6Very low34.7Very low105 Ų105134.2 Ų134.268%0.68278%0.777SS**  cis-146.9-164.619.739.8-16.7000116.6
267L31.6Very low34.5Very low160 Ų160131.7 Ų131.784%0.83878%0.781SS**  trans76.2151.7149.6-128.166.2000117.9
268G28.4Very low34.5Very low61 Ų61130.6 Ų130.663%0.62978%0.782SS**  trans-144.2169.5-177.700000112.4
269H36.6Very low34.5Very low184 Ų184129.2 Ų129.285%0.85278%0.784SS**  trans-138.5141.7178.1-72.4-80.9000110.8
270A27.4Very low34.5Very low98 Ų98128 Ų12881%0.8178%0.783SS**PPolyproline II helixtrans-91.3140.8164.800000109.9
271P42.1Very low34.6Very low127 Ų127126.5 Ų126.583%0.82578%0.779SS**PPolyproline II helixtrans-87.2135.1167.633.2-30.5000110.9
272A34.8Very low34.5Very low98 Ų98124.2 Ų124.281%0.8177%0.772SS**PPolyproline II helixtrans-93.4164.5174.600000112.3
273T28.8Very low34.7Very low145 Ų145126 Ų12689%0.8977%0.773SS**PPolyproline II helixtrans-76.6129.8-177.2-36.30000112.9
274T35.9Very low34.7Very low137 Ų137123 Ų12384%0.8477%0.766SS**  trans-140.2145.4160.9-420000109.9
275A31.1Very low35.2Very low86 Ų86123.3 Ų123.371%0.71177%0.771SS**  trans-111.1165.7-176.500000112.4
276S32.6Very low35.4Very low112 Ų112120.9 Ų120.978%0.78377%0.77SS**  172.7140.8128.8-78.60000113.5
277S33.5Very low35.4Very low117 Ų117122.9 Ų122.982%0.81877%0.774SS**  trans61.9151.1152.2-74.60000120.4
278S37.8Very low35.7Very low90 Ų90123.2 Ų123.263%0.62977%0.771SS**  cis-167.4151.6-10.243.60000112.2
279T37.6Very low35.9Very low123 Ų123125 Ų12576%0.75577%0.774SS**  trans65.7150.3152.948.20000118.5
280N38.5Very low35.8Very low128 Ų128120 Ų12068%0.68477%0.765SS**  cis-156144.616.6-127-4.9000113.9
281T38.6Very low36Very low111 Ų111121.8 Ų121.868%0.68177%0.766SS**  trans56.9144.5143.558.80000122.1
282T38.7Very low35.6Very low109 Ų109120.1 Ų120.167%0.66976%0.757SS**  cis-165158.5-2.810.30000113.5
283K37.2Very low35.7Very low190 Ų190122.7 Ų122.783%0.82676%0.757SS**  trans65.8133.2148-69.5164-177177.90119.2
284S34.3Very low36.1Very low115 Ų115120.9 Ų120.980%0.80475%0.75SS**  cis149.4160.1-17.7-84.50000107.9
285P46.2Very low35.9Very low130 Ų130121 Ų12184%0.84475%0.745SS**  trans-123.6-178.9-148.343.4-32000116.6
286S35.9Very low36.1Very low113 Ų113122 Ų12279%0.7975%0.747SS**  trans-171.2168.6168.3-175.70000109.9
287L35.8Very low36.1Very low146 Ų146122.4 Ų122.476%0.76475%0.75SS**  -168.3166-66.7-122.3177.3000108.2
288E37.9Very low36.2Very low168 Ų168122.8 Ų122.879%0.78575%0.753SS**  trans62.9165.4160.6-65.2-167.8125.500119.6
289S33.3Very low35.9Very low98 Ų98123 Ų12369%0.68576%0.759SS**  cis-163.7149.7-32.4-950000113
290A33.7Very low36.1Very low80 Ų80122.7 Ų122.766%0.66176%0.76SS**  trans6014914100000125.2
291T31.8Very low36.1Very low135 Ų135121.4 Ų121.483%0.82876%0.758SS**  trans68.9152.1145.339.30000120.6
292S33.2Very low35.6Very low91 Ų91124.9 Ų124.964%0.63677%0.767SS**  cis-167.8150.9-4.842.90000114.9
293L37.5Very low35.1Very low153 Ų153124.1 Ų124.180%0.80177%0.766SS**  trans71.8164.9138.5-75.8168.9000123.3
294S38Very low34.7Very low107 Ų107122 Ų12275%0.74876%0.763SS**  trans82.9142164-52.70000119.6
295D31.6Very low34.8Very low138 Ų138121.9 Ų121.974%0.73876%0.758SS**  cis-173.6179-46.4-117.5-56.1000109
296S35.7Very low34.1Very low109 Ų109122.5 Ų122.576%0.76275%0.754SS**  trans78.7111.9176-42.10000114.5
297S32Very low33.9Very low119 Ų119121.9 Ų121.983%0.83275%0.75SS**  cis80.6106.138.1-163.90000115.3
298S35.6Very low33.7Very low126 Ų126121.2 Ų121.288%0.88175%0.746SS**  trans-168.2161.8131.931.10000109.6
299A30.1Very low33.8Very low93 Ų93121.1 Ų121.177%0.76975%0.751SS**  trans-116.4170.9-158.700000113.2
300P41.9Very low33.8Very low118 Ų118123.3 Ų123.377%0.76676%0.755SS**  trans-88-149.7-17541.6-37.4000110.1
301P38.8Very low33.7Very low101 Ų101124.5 Ų124.566%0.65675%0.754SS**  cis-144.5-168.70.231-3.9000117.3
302Q28.8Very low33.8Very low183 Ų183127 Ų12786%0.85575%0.754SS**  trans71.8165.7164.8-35-168.97.700115.3
303S28.9Very low33.8Very low93 Ų93128.3 Ų128.365%0.6576%0.758SS**  cis-148.4138.2-0.487.40000109.2
304N28.3Very low33.7Very low145 Ų145127.1 Ų127.178%0.77576%0.757SS**  90.1167.999.5-165.120.9000115.3
305V35.7Very low33.7Very low114 Ų114131.3 Ų131.369%0.69176%0.762SS**  trans86.592167.9-164.60000119.4
306N30.8Very low33.7Very low142 Ų142129.9 Ų129.976%0.75976%0.763SS**  19.8138129.5-56.9-12.2000122.2
307S32.3Very low33.7Very low101 Ų101129.6 Ų129.671%0.70676%0.758SS**  159.6102.8106-168.30000110.8
308I31.9Very low33.7Very low131 Ų131134.4 Ų134.467%0.67276%0.764SS**  51.7115.199.3-53.2164.2000114.5
309N39.3Very low33.6Very low167 Ų167131.7 Ų131.789%0.89376%0.756SS**  trans-162.1140.2138.3-99-36.9000111
310N33.5Very low33.6Very low143 Ų143133.6 Ų133.677%0.76575%0.754SS**  trans-98.3171.2-173.1-67.1-45.4000112.5
311T32.5Very low33.3Very low106 Ų106136 Ų13665%0.6576%0.759SS**  166.8158.1100.6-540000111.6
312F33.5Very low32.8Very low187 Ų187135.1 Ų135.182%0.8276%0.755SS**  trans71.2104.4176.4-59.3-72.2000116.2
313V32.5Very low33Very low119 Ų119133.4 Ų133.472%0.72175%0.752SS**  cis89.499.123.3-171.20000116.4
314T36.9Very low33.3Very low128 Ų128137.7 Ų137.779%0.78577%0.765SS**  trans-163.6116.4134.626.70000107.5
315K38.1Very low33.4Very low194 Ų194137.3 Ų137.384%0.84376%0.759SS**  55.3132.294.3-66.7-174.8179.7-176.50113.4
316S31.1Very low33.3Very low109 Ų109138.9 Ų138.976%0.76276%0.757SS**  cis-174.9-175.9-2-139.80000107.6
317P36.1Very low33.5Very low102 Ų102139.6 Ų139.666%0.66276%0.76SS**  cis-123.8146.6-36.533.7-17.9000112.9
318F31.8Very low33.7Very low220 Ų220140.2 Ų140.297%0.96576%0.761SS**  trans-126.6106.2149.4-88.3-79000107.6
319G33.2Very low33.5Very low69 Ų69139.8 Ų139.871%0.71177%0.768SS**  trans-92.5124.7-176.100000111.6L321G319-L321 PolarHBondContact O-N 2.97Å
320D29.2Very low33.3Very low134 Ų134138.2 Ų138.272%0.71777%0.767SS**  trans-58.9125.5167-175.8-14.4000109.9S322D320-S322 PolarHBondContact OD1-N 3.42Å; D320-S322 PolarHBondContact OD1-OG 2.93Å; D320-S322 VanDerWaalsContact OD1-OG 3.13Å
321L36Very low33.2Very low169 Ų169137 Ų13789%0.88577%0.77SS**  trans-13765.7170.5-75.9-179.3000110G319G319-L321 PolarHBondContact O-N 2.97Å
322S29.7Very low33.3Very low81 Ų81138 Ų13857%0.56677%0.77SS**  trans-63.7142.6158.5430000111.7D320D320-S322 PolarHBondContact OD1-N 3.42Å; D320-S322 PolarHBondContact OD1-OG 2.93Å; D320-S322 VanDerWaalsContact OD1-OG 3.13Å
323N32Very low33.4Very low148 Ų148137.3 Ų137.379%0.79177%0.767SS**  trans75.7112.3178.9-48.7-68.5000118.2
324I34.3Very low33.5Very low182 Ų182135.9 Ų135.993%0.93376%0.763SS**  -170.5151.8125.7-93.1151.7000107.2
325Q31.6Very low33.5Very low138 Ų138135.6 Ų135.665%0.64576%0.761SS**  trans-144.5133.3-151.8-174.5-175.9116.400115.5
326K33.3Very low33.3Very low146 Ų146134.1 Ų134.164%0.63576%0.757SS**  trans65.9132.7159.6-73.8167.6-165.5157.90118.1
327L34.4Very low33.7Very low157 Ų157133.9 Ų133.982%0.82275%0.751SS**  77.3158.466.6-102.873.8000113.9
328P37.1Very low33.8Very low114 Ų114137.4 Ų137.474%0.7476%0.759SS**  cis-136.6-168.3-7.539.7-20000115.3
329C28.2Very low33.9Very low122 Ų122132.5 Ų132.582%0.82475%0.747SS**  trans-98.5161.7169.3-61.20000112.8
330P35.2Very low34.2Very low134 Ų134139.3 Ų139.387%0.8776%0.757SS**  trans-90.8168.1172.936.4-34.9000114.6
331S31.4Very low34.5Very low117 Ų117140.5 Ų140.582%0.81876%0.758SS**  trans-154.9158.3-175.9-179.90000112.9
332I34.6Very low34.6Very low129 Ų129140.3 Ų140.366%0.66276%0.756SS**  trans-165.7153.117027.7170.3000107.2
333F35.3Very low35Very low171 Ų171141.6 Ų141.675%0.7576%0.762SS**  cis-120.8174.25.4-74.4-74000109.8
334S34Very low35.1Very low90 Ų90145.9 Ų145.963%0.62977%0.767SS**  cis73.3131.337.7-30.10000114.4
335T37.2Very low35.1Very low121 Ų121145.4 Ų145.474%0.74277%0.766SS**  cis-166.1154.4-3.75.80000111.9
336E34.8Very low35.3Very low164 Ų164144.3 Ų144.377%0.76677%0.771SS**  trans64.8163.3153.1-76.4-168.999.600120.6
337T38.8Very low35.6Very low104 Ų104143.9 Ų143.964%0.63878%0.78SS**  cis-143.2140.912.9-18.10000115.5
338Q38.8Very low35.8Very low176 Ų176142.1 Ų142.182%0.82278%0.778SS**  trans66.8158.6145.5-90.8-179.87200124.5
339T33.5Very low35.7Very low116 Ų116141 Ų14171%0.71278%0.778SS**  trans-148.9148.1-157.5-47.60000111
340K39.6Very low36.2Very low212 Ų212141.6 Ų141.692%0.92278%0.778SS**  trans-139.3153.3149.8-73.3-162.2176.5179.90111.4
341H33.8Very low36.3Very low160 Ų160140.4 Ų140.474%0.74177%0.765SS**  trans-149.9147.6-160.8-172-70.6000109.5
342I39.5Very low36.8Very low165 Ų165142.2 Ų142.285%0.84676%0.758SS**  trans-166.6152161-106.7150.3000110.4
343P37.2Very low36.8Very low108 Ų108146.7 Ų146.770%0.70177%0.766SS**  trans-120.6-175.7-150.840.8-26.9000117.3
344R34.1Very low37Very low237 Ų237145.8 Ų145.889%0.89477%0.768SS**  trans-64.7157.7-175.3-59.3171.4173.9155.5-4.8115.7
345L35.3Very low37.3Very low172 Ų172147 Ų14790%0.90177%0.771SS**  trans-136.5165.2152.1-81.1-178.7000111.2
346P35.3Very low37.3Very low116 Ų116146.5 Ų146.575%0.75377%0.773SS**  trans-108.3179.4-15341.4-37.4000117.3
347V38.8Very low37.3Very low137 Ų137145.9 Ų145.983%0.8377%0.774SS**  trans-91.8139.8-177.2172.70000112.9
348P39.3Very low37.3Very low120 Ų120147 Ų14778%0.77977%0.772SS**  trans-97.3166.4161.437-31.2000113
349A34.9Very low37.3Very low89 Ų89144 Ų14474%0.73676%0.762SS**  trans-122.2-167.8-171.200000114.1
350T38Very low37.3Very low135 Ų135145.5 Ų145.583%0.82876%0.759SS**  trans84.2151.8-179.173.40000115.3
351D38.5Very low37.1Very low110 Ų110141.8 Ų141.859%0.58875%0.754SS**  cis-143175.717.1-14920.7000118.1
352K41Very low37.3Very low155 Ų155138.5 Ų138.567%0.67475%0.754SS**  trans-33.4167.2176.5-56.7152.6-164.1830116.7
353R35.5Very low37Very low222 Ų222135.5 Ų135.584%0.83875%0.748SS**  cis-172.8179.438.9-150.8170-162.8175.54.3112
354I38.8Very low37.1Very low153 Ų153136.4 Ų136.479%0.78575%0.752SS**  trans76.5128.6166-58.5169000115.7
355T39.9Very low37.1Very low114 Ų114131.6 Ų131.670%0.69975%0.753SS**  cis-173.2135.4-41.121.30000109.2
356S37.4Very low37.2Very low112 Ų112126.3 Ų126.378%0.78374%0.74SS**  trans54.6148.4153.856.90000120.4
357L35.6Very low37.1Very low151 Ų151131.3 Ų131.379%0.79175%0.75SS**  cis-140.616121.4-17159.8000113.3
358E38Very low37.2Very low126 Ų126130.1 Ų130.159%0.58975%0.748SS**  trans-64.2171.6-177.4-52.3174.1105.500114.3K360E358-K360 WeakPolarHBondContact OE1-CE 3.49Å; E358-K360 IonicContact OE1-NZ 2.61Å; E358-K360 PolarHBondContact OE1-NZ 2.86Å
359N38.5Very low37.1Very low115 Ų115135.9 Ų135.962%0.61575%0.754SS**  cis-140.1141.826.5-82.8-78.8000112.3
360K35Very low37.2Very low147 Ų147139.6 Ų139.664%0.63976%0.76SS**  52.5134.594.3-46.9-177.5-168.6115.30113.9E358E358-K360 WeakPolarHBondContact OE1-CE 3.49Å; E358-K360 IonicContact OE1-NZ 2.61Å; E358-K360 PolarHBondContact OE1-NZ 2.86Å
361T35.9Very low37.1Very low133 Ų133142.2 Ų142.282%0.81676%0.76SS**  cis-159.2160.426.8-30.70000112.7
362A36.5Very low37Very low91 Ų91143.1 Ų143.175%0.75278%0.775SS**  trans64.6126.1168.100000117.3
363S34.6Very low36.7Very low103 Ų103140.4 Ų140.472%0.7278%0.776SS**  71.5122.157.5-152.70000112
364T38.2Very low36.8Very low126 Ų126136 Ų13677%0.77377%0.774SS**  cis-160.2157.118.2-19.40000113.1
365C34Very low36.8Very low136 Ų136136.3 Ų136.392%0.91977%0.772SS**  trans71.4151.8158-155.10000119.5
366G37.7Very low36.9Very low61 Ų61141.5 Ų141.563%0.62978%0.779SS**  trans9679.1164.700000117.3S368G366-S368 PolarHBondContact O-N 2.93Å
367K33.8Very low37.4Very low222 Ų222144.2 Ų144.297%0.96578%0.784SS**  trans-7876.9172.2-72-177177.6178.10112.5
368S39.5Very low37.4Very low112 Ų112140.7 Ų140.778%0.78378%0.784SS**PPolyproline II helixtrans-81.9137160.850.20000110.2G366G366-S368 PolarHBondContact O-N 2.93Å
369R38.9Very low37.2Very low241 Ų241138.4 Ų138.491%0.90979%0.794SS**PPolyproline II helixtrans-79.7126.5-177.1-165174.3-174.5170.60.2109.4
370L37Very low37.3Very low166 Ų166139.4 Ų139.487%0.86980%0.804SS**PPolyproline II helixtrans-61.2135.3-177.5-77.9160.2000112.2
371F34.3Very low37.2Very low190 Ų190138.5 Ų138.583%0.83382%0.816SS**PPolyproline II helixtrans-83.7129.1165.2-81.3-99.4000109.8S373F371-S373 PolarHBondContact O-N 2.75Å
372S37.9Very low37.2Very low129 Ų129143.3 Ų143.390%0.90282%0.819SS**  trans-91.987.5165.4-63.60000109.5
373S33.3Very low37.3Very low98 Ų98147.1 Ų147.169%0.68583%0.826SS**  trans-115.397.5177.658.10000111F371 E375F371-S373 PolarHBondContact O-N 2.75Å; S373-E375 PolarHBondContact O-N 3.42Å
374T38Very low37.2Very low130 Ų130150.6 Ų150.680%0.79884%0.837SS**  trans-87102.2178-49.60000111.1
375E38.6Very low36.9Very low160 Ų160150 Ų15075%0.74884%0.838SS**  trans26.8125.2145.7-50-173.5114.100120S373S373-E375 PolarHBondContact O-N 3.42Å
376R41.5Very low37.1Very low223 Ų223150.5 Ų150.584%0.84283%0.831SS**  -170.1124.891.9-98.5171176.2-172.2-2.9113.4
377L48.7Very low37Very low169 Ų169155 Ų15589%0.88584%0.84SS**  trans43.6120139.7-49.6172.7000119.1
378G36.7Very low37.2Very low76 Ų76152.5 Ų152.578%0.78483%0.832SS**  cis150142.4-6.200000113.5
379G32.6Very low36.9Very low79 Ų79152.1 Ų152.181%0.81483%0.827SS**  trans71.2139.717100000115.4
380V41.4Very low36.7Very low136 Ų136147.9 Ų147.982%0.82482%0.82SS**  cis-152.5126.743.3171.60000110
381S32.8Very low36.6Very low127 Ų127148.9 Ų148.989%0.88882%0.821SS**  trans-136.476.3171.5-68.20000111.5
382R35.6Very low36.4Very low234 Ų234144.3 Ų144.388%0.88382%0.818SS**  trans-144.6162.9167.4-74.2-164.9168.1-176.4-4.8109.9
383L38Very low36.5Very low172 Ų172143.9 Ų143.990%0.90182%0.815SS**  trans75.274.6-175.2-52.6179.4000115.4
384N32.8Very low36.7Very low176 Ų176148.8 Ų148.894%0.94182%0.824SS**  trans-141.862.8152.8-133.41.2000109.9
385S32.8Very low37Very low113 Ų113148 Ų14879%0.7982%0.821SS**  trans-161.992.9173.8-175.30000110.9
386L36.8Very low37.1Very low147 Ų147151.8 Ų151.877%0.7783%0.828SS**  -170.5109.6129.2-149.369.3000109.6
387N35.2Very low37.1Very low156 Ų156147.2 Ų147.283%0.83483%0.825SS**  trans-113.4105.8170-95.2-38.7000108.5
388H38.6Very low36.5Very low169 Ų169142.9 Ų142.978%0.78282%0.822SS**  trans-140.2106166.9-77.6-57000110.6
389P34.1Very low36.7Very low104 Ų104145.2 Ų145.268%0.67583%0.826SS**  trans-96176.416638.4-32.9000111.3
390I34.9Very low36.9Very low151 Ų151150.1 Ų150.177%0.77483%0.825SS**  trans76.4139.7172.6-49161.2000111.3
391Q33.8Very low36.8Very low188 Ų188151.9 Ų151.988%0.87983%0.829SS**  cis-132.5-174.814.3-146.6153.948.600112.8
392A29.8Very low37Very low94 Ų94152.7 Ų152.778%0.77782%0.823SS**  trans-129.4151.8-176.100000113.5
393S39.7Very low36.9Very low120 Ų120146.7 Ų146.784%0.83982%0.817SS**  trans-141.8165.7165.360.40000110.5
394K37.9Very low37Very low201 Ų201146.1 Ų146.187%0.87481%0.813SS**  trans-127.8-155.7-166.9-60.6-177.8178.6175.40112.1
395P44.6Very low37.1Very low114 Ų114144.9 Ų144.974%0.7481%0.807SS**  -134.8162.3-95.342.3-25.2000116.1
396R41.2Very low37.3Very low239 Ų239148 Ų14890%0.90281%0.809SS**  trans178.6158.2157.5-112.1169.3171.4162.4-5.2109
397T40.5Very low37.4Very low126 Ų126150 Ų15077%0.77381%0.811SS**  cis-155.3152.66.3-29.60000109.8
398G37.7Very low37.6Very low79 Ų79149 Ų14981%0.81481%0.811SS**  trans62.9148.715400000119.3
399S40.3Very low37.5Very low124 Ų124145.5 Ų145.587%0.86781%0.805SS**  cis-144.1169.4-1-168.90000110.6
400K36.8Very low37.6Very low182 Ų182146.1 Ų146.179%0.79181%0.807SS**  trans-84.9154.6173.6-60.5172178.81740110.7
401L39.4Very low37.7Very low173 Ų173146 Ų14691%0.90681%0.808SS**  -162.9157.5112.9-102.7167.7000110.3
402N36.1Very low37.7Very low144 Ų144143.9 Ų143.977%0.7781%0.808SS**  trans-110.5161.5-170.1-69.8-16.3000111.8
403S34.5Very low38.1Very low108 Ų108145 Ų14576%0.75581%0.81SS**  trans62116.1144.4177.30000119
404I40.6Very low38.1Very low160 Ų160146 Ų14682%0.82181%0.805SS**  -151.1152.3116.4-98145000108
405N34.2Very low38Very low151 Ų151143.6 Ų143.681%0.80780%0.802SS**  trans-132.2107-174.3166.442.3000108.9
406E37.7Very low37.6Very low178 Ų178141.8 Ų141.883%0.83280%0.804SS**  trans-146156.3179.7-164.2152.5-137.300112.2
407K37.1Very low37.3Very low188 Ų188136.3 Ų136.382%0.81780%0.801SS**  trans-116.3109.8-165.2-62174.8-176.6172.10112.3
408V40.1Very low37.5Very low136 Ų136135.2 Ų135.282%0.82480%0.798SS**  trans-137.3109.8163.4-1740000106.1
409S37.6Very low37.5Very low95 Ų95138.9 Ų138.966%0.66480%0.799SS**  cis79.994.137.3-156.90000113.7
410V35.1Very low37.9Very low118 Ų118142.3 Ų142.372%0.71580%0.798SS**  trans57.9135.1167.6-109.30000116
411N37.7Very low38.5Very low149 Ų149141.6 Ų141.680%0.79780%0.798SS**  -157.616750.1-75.9-70.7000113.2
412T32.5Very low39.1Very low143 Ų143142.1 Ų142.188%0.87779%0.793SS**  trans-84.5125.8172.140.80000113.7
413S38.6Very low39.7Very low117 Ų117143.1 Ų143.182%0.81880%0.798SS**  trans-170.8148159-176.40000108.4
414L41Very low40.4Very low140 Ų140148.3 Ų148.373%0.73380%0.801SS**  cis178.2139.2-24.6-174.981.1000104
415N35.4Very low40.9Very low151 Ų151144.4 Ų144.481%0.80779%0.788SS**  trans59.1126166.5-65.9-17.4000120.5
416G35Very low41.7Very low76 Ų76139.8 Ų139.878%0.78478%0.775SS**  trans175.335.7169.700000120.9
417C35.9Very low42.5Very low124 Ų124135 Ų13584%0.83876%0.762SS**  trans-168.6122.1154.9-118.50000117.3
418S44.3Very low43.4Very low103 Ų103130.8 Ų130.872%0.7275%0.752SS**  trans3886.8140.7550000122.4K420S418-K420 PolarHBondContact O-N 3.25Å
419N38.6Very low44.2Very low156 Ų156129.9 Ų129.983%0.83474%0.741SS**  trans-73.496.9157.6-85.4-53.8000112.3
420K48.8Very low45.9Very low196 Ų196128.1 Ų128.185%0.85273%0.729SS**  trans-1396.5171.6-82.7-161175.1-177.10118.3S418S418-K420 PolarHBondContact O-N 3.25Å
421H48.6Very low48Very low168 Ų168125.9 Ų125.978%0.77871%0.713SS**  trans-107.1-2-171.7-92.7-75.8000118.2N423H421-N423 PolarHBondContact O-N 3.42Å
422K52.9Low50.1Low184 Ų184125.3 Ų125.380%0.870%0.704SS**THydrogen-bonded Turntrans-66.9-20.4-164.6-93.4-176.3173.4179.50117.6
423N48.3Very low52.5Low164 Ų164124.1 Ų124.188%0.87769%0.688SS**THydrogen-bonded Turntrans-98.91.7-167.8-66.110.3000115.4H421H421-N423 PolarHBondContact O-N 3.42Å
424R49.5Very low54.7Low218 Ų218124.7 Ų124.782%0.82368%0.678SS**SBendtrans-101.2-7.3-176.7-128.3177.8-172.2178.62.4115.1
425S50.5Low56.8Low78 Ų78126.4 Ų126.455%0.54568%0.675SS.*Hα-helixtrans-89.7-17.4-169.5-55.80000115.3L429S425-L429 WeakPolarHBondContact O-CG 2.99Å
426G50.5Low59.2Low53 Ų53123.7 Ų123.755%0.54666%0.658SS.*Hα-helixtrans-71.4-51.7-177.400000113.8V428 L429 S430G426-V428 PolarHBondContact O-N 2.94Å; G426-L429 PolarHBondContact O-N 3.32Å; G426-L429 VanDerWaalsContact O-N 3.15Å; G426-S430 PolarHBondContact O-N 3.46Å
427S55.3Low61.6Low78 Ų78123.6 Ų123.655%0.54564%0.637SS.*Hα-helixtrans-59.5-42.4-178.2145.30000112.5L429 S430 D431S427-L429 PolarHBondContact O-N 3.08Å; S427-S430 WeakPolarHBondContact O-CB 3.36Å; S427-S430 PolarHBondContact O-N 3.37Å; S427-D431 PolarHBondContact O-N 3.42Å
428V56Low64.1Low100 Ų100120.3 Ų120.361%0.60662%0.619SS**Hα-helixtrans-64-25.8-179.4-174.80000112.5G426 K432G426-V428 PolarHBondContact O-N 2.94Å; V428-K432 WeakPolarHBondContact O-CB 3.49Å; V428-K432 PolarHBondContact O-N 3.2Å
429L57.2Low66.4Low116 Ų116122.4 Ų122.461%0.60762%0.615SS**Hα-helixtrans-77.4-41.2172.1-66.7173.3000111.5S425 G426 S427 K432 E433S425-L429 WeakPolarHBondContact O-CG 2.99Å; G426-L429 PolarHBondContact O-N 3.32Å; G426-L429 VanDerWaalsContact O-N 3.15Å; S427-L429 PolarHBondContact O-N 3.08Å; L429-K432 WeakPolarHBondContact O-CB 3.49Å; L429-K432 PolarHBondContact O-N 2.94Å; L429-E433 PolarHBondContact O-N 3.12Å
430S72.8Confident68.8Low58 Ų58121.2 Ų121.241%0.40660%0.599SS.*Hα-helixtrans-59.4-48.4173.8-176.30000112.4G426 S427 K432 E433 Q434G426-S430 PolarHBondContact O-N 3.46Å; S427-S430 WeakPolarHBondContact O-CB 3.36Å; S427-S430 PolarHBondContact O-N 3.37Å; S430-K432 PolarHBondContact O-N 3.14Å; S430-E433 PolarHBondContact O-N 3.43Å; S430-E433 VanDerWaalsContact O-N 3.17Å; S430-Q434 WeakPolarHBondContact O-CG 3.5Å; S430-Q434 PolarHBondContact O-N 2.89Å
431D78.1Confident70.9Confident71 Ų71117.6 Ų117.638%0.3859%0.585SS.*Hα-helixtrans-58.8-35.5176.4-76.530.5000112.1S427 R435S427-D431 PolarHBondContact O-N 3.42Å; D431-R435 WeakPolarHBondContact O-CB 3.01Å; D431-R435 WeakPolarHBondContact O-CD 3.41Å; D431-R435 WeakPolarHBondContact O-CG 3.44Å; D431-R435 PolarHBondContact O-N 3.48Å; D431-R435 VanDerWaalsContact O-N 3.14Å
432K82.5Confident72.9Confident138 Ų138113 Ų11360%0.657%0.569SS**Hα-helixtrans-72.2-41.4177.4-172.1-179.3176.6-172.70111.4V428 L429 S430 R435 M436V428-K432 WeakPolarHBondContact O-CB 3.49Å; V428-K432 PolarHBondContact O-N 3.2Å; L429-K432 WeakPolarHBondContact O-CB 3.49Å; L429-K432 PolarHBondContact O-N 2.94Å; S430-K432 PolarHBondContact O-N 3.14Å; K432-R435 PolarHBondContact O-N 3.42Å; K432-M436 WeakPolarHBondContact O-CG 3.38Å; K432-M436 PolarHBondContact O-N 2.78Å; K432-M436 VanDerWaalsContact O-N 3.07Å
433E82.9Confident74.6Confident118 Ų118110.6 Ų110.655%0.55156%0.559SS**Hα-helixtrans-64.3-49.2177.2-158.462.7-152.300110.8L429 S430 R435 M436 E437L429-E433 PolarHBondContact O-N 3.12Å; S430-E433 PolarHBondContact O-N 3.43Å; S430-E433 VanDerWaalsContact O-N 3.17Å; E433-R435 VanDerWaalsContact C-N 3.3Å; E433-R435 PolarHBondContact O-N 2.96Å; E433-M436 WeakPolarHBondContact O-CA 3.28Å; E433-M436 WeakPolarHBondContact O-CB 3.48Å; E433-M436 PolarHBondContact O-N 2.96Å; E433-E437 PolarHBondContact O-N 3.3Å
434Q84.6Confident76.6Confident128 Ų128107.5 Ų107.560%0.59854%0.541SS*.Hα-helixtrans-57.7-40.2175.7-70.9-1795.200112.5S430 M436 E437 A438S430-Q434 WeakPolarHBondContact O-CG 3.5Å; S430-Q434 PolarHBondContact O-N 2.89Å; Q434-M436 VanDerWaalsContact C-N 3.31Å; Q434-M436 PolarHBondContact O-N 3.13Å; Q434-E437 PolarHBondContact O-N 3.1Å; Q434-A438 VanDerWaalsContact O-CB 3.32Å; Q434-A438 WeakPolarHBondContact O-CB 3.34Å; Q434-A438 PolarHBondContact O-N 3.43Å
435R85.6Confident78.6Confident177 Ų177102 Ų10267%0.66853%0.525SS*.Hα-helixtrans-70.3-22.7175.2-73.7173.2-168.9-160.85.9113.9D431 K432 E433 K439D431-R435 WeakPolarHBondContact O-CB 3.01Å; D431-R435 WeakPolarHBondContact O-CD 3.41Å; D431-R435 WeakPolarHBondContact O-CG 3.44Å; D431-R435 PolarHBondContact O-N 3.48Å; D431-R435 VanDerWaalsContact O-N 3.14Å; K432-R435 PolarHBondContact O-N 3.42Å; E433-R435 VanDerWaalsContact C-N 3.3Å; E433-R435 PolarHBondContact O-N 2.96Å; R435-K439 WeakPolarHBondContact O-CD 3.35Å; R435-K439 VanDerWaalsContact O-CG 3.3Å; R435-K439 WeakPolarHBondContact O-CG 3.4Å
436M84.8Confident80.5Confident94 Ų94104.3 Ų104.346%0.46353%0.527SS..Hα-helixtrans-81.9-38.3172.3-72-60.7-6100111.1K432 E433 Q434 K439 R440K432-M436 WeakPolarHBondContact O-CG 3.38Å; K432-M436 PolarHBondContact O-N 2.78Å; K432-M436 VanDerWaalsContact O-N 3.07Å; E433-M436 WeakPolarHBondContact O-CA 3.28Å; E433-M436 WeakPolarHBondContact O-CB 3.48Å; E433-M436 PolarHBondContact O-N 2.96Å; Q434-M436 VanDerWaalsContact C-N 3.31Å; Q434-M436 PolarHBondContact O-N 3.13Å; M436-K439 WeakPolarHBondContact O-CB 3.44Å; M436-K439 PolarHBondContact O-N 3.39Å; M436-R440 PolarHBondContact O-N 3.2Å; M436-R440 VanDerWaalsContact O-N 3.1Å
437E85.8Confident82.3Confident73 Ų73106.5 Ų106.534%0.34152%0.524SS..Hα-helixtrans-70.5-42177.7-163.752.5-128.300112.1E433 Q434 K439 R440 Q441E433-E437 PolarHBondContact O-N 3.3Å; Q434-E437 PolarHBondContact O-N 3.1Å; E437-K439 PolarHBondContact O-N 3.21Å; E437-R440 WeakPolarHBondContact O-CA 3.42Å; E437-R440 WeakPolarHBondContact O-CB 3.22Å; E437-R440 PolarHBondContact O-N 3.11Å; E437-R440 WeakPolarHBondContact OE2-CD 3.5Å; E437-R440 IonicContact OE2-CZ 3.17Å; E437-R440 IonicContact OE2-NE 2.66Å; E437-R440 IonicContact OE2-NH1 2.86Å; E437-R440 PolarHBondContact OE2-NH1 3.1Å; E437-Q441 WeakPolarHBondContact O-CG 3.38Å; E437-Q441 PolarHBondContact O-N 3.03Å
438A89.7Confident84.1Confident56 Ų56108.8 Ų108.846%0.46353%0.526SS..Hα-helixtrans-57.4-32171.200000112.7Q434 V442Q434-A438 VanDerWaalsContact O-CB 3.32Å; Q434-A438 WeakPolarHBondContact O-CB 3.34Å; Q434-A438 PolarHBondContact O-N 3.43Å; A438-V442 WeakPolarHBondContact O-CG2 3.38Å; A438-V442 PolarHBondContact O-N 3.13Å; A438-V442 VanDerWaalsContact O-N 3.15Å
439K91Very high85.8Confident146 Ų146108.7 Ų108.764%0.63552%0.517SS*.Hα-helixtrans-74.8-29.5173.7-75.5177178.8-173.60113.4R435 M436 E437 F443R435-K439 WeakPolarHBondContact O-CD 3.35Å; R435-K439 VanDerWaalsContact O-CG 3.3Å; R435-K439 WeakPolarHBondContact O-CG 3.4Å; M436-K439 WeakPolarHBondContact O-CB 3.44Å; M436-K439 PolarHBondContact O-N 3.39Å; E437-K439 PolarHBondContact O-N 3.21Å; K439-F443 WeakPolarHBondContact O-CB 3.33Å; K439-F443 PolarHBondContact O-N 3.07Å
440R90.4Very high87.3Confident132 Ų132110.6 Ų110.650%0.49852%0.517SS..Hα-helixtrans-69.2-48.8171.3-73.7166.2168.7162.7-0.5110.7M436 E437 V442 F443 I444M436-R440 PolarHBondContact O-N 3.2Å; M436-R440 VanDerWaalsContact O-N 3.1Å; E437-R440 WeakPolarHBondContact O-CA 3.42Å; E437-R440 WeakPolarHBondContact O-CB 3.22Å; E437-R440 PolarHBondContact O-N 3.11Å; E437-R440 WeakPolarHBondContact OE2-CD 3.5Å; E437-R440 IonicContact OE2-CZ 3.17Å; E437-R440 IonicContact OE2-NE 2.66Å; E437-R440 IonicContact OE2-NH1 2.86Å; E437-R440 PolarHBondContact OE2-NH1 3.1Å; R440-V442 PolarHBondContact O-N 2.69Å; R440-F443 WeakPolarHBondContact O-CB 3.31Å; R440-F443 PolarHBondContact O-N 2.79Å; R440-F443 VanDerWaalsContact O-N 3.08Å; R440-I444 WeakPolarHBondContact O-CG1 3.5Å; R440-I444 PolarHBondContact O-N 3.1Å
441Q91.5Very high88.1Confident119 Ų119112.8 Ų112.856%0.55652%0.521SS*.Hα-helixtrans-51.2-54.8175.5-69.4-78.1-8.700111.6E437 F443 I444 E445E437-Q441 WeakPolarHBondContact O-CG 3.38Å; E437-Q441 PolarHBondContact O-N 3.03Å; Q441-F443 VanDerWaalsContact C-N 3.28Å; Q441-F443 PolarHBondContact O-N 3.43Å; Q441-I444 PolarHBondContact O-N 2.7Å; Q441-I444 VanDerWaalsContact O-N 3.14Å; Q441-E445 PolarHBondContact O-N 3.34Å
442V90.4Very high88.7Confident72 Ų72115.1 Ų115.144%0.43653%0.529SS..Hα-helixtrans-62.5-32.3178.4171.60000112.8A438 R440 Q446A438-V442 WeakPolarHBondContact O-CG2 3.38Å; A438-V442 PolarHBondContact O-N 3.13Å; A438-V442 VanDerWaalsContact O-N 3.15Å; R440-V442 PolarHBondContact O-N 2.69Å; V442-Q446 WeakPolarHBondContact O-CB 3.17Å; V442-Q446 VanDerWaalsContact O-CG 3.27Å; V442-Q446 WeakPolarHBondContact O-CG 3.35Å; V442-Q446 PolarHBondContact O-N 2.89Å; V442-Q446 VanDerWaalsContact O-N 3.07Å
443F89.6Confident89.1Confident134 Ų134117 Ų11759%0.58853%0.532SS*.Hα-helixtrans-71.1-38.9174.9-178.7-96.8000112.3K439 R440 Q441 Q446 M447K439-F443 WeakPolarHBondContact O-CB 3.33Å; K439-F443 PolarHBondContact O-N 3.07Å; R440-F443 WeakPolarHBondContact O-CB 3.31Å; R440-F443 PolarHBondContact O-N 2.79Å; R440-F443 VanDerWaalsContact O-N 3.08Å; Q441-F443 VanDerWaalsContact C-N 3.28Å; Q441-F443 PolarHBondContact O-N 3.43Å; F443-Q446 PolarHBondContact O-N 3.05Å; F443-M447 HydrophobicContact CD1-CG 4.32Å; F443-M447 HydrophobicContact CE1-CG 3.87Å; F443-M447 HydrophobicContact CE2-CG 4.4Å; F443-M447 HydrophobicContact CZ-CG 3.91Å; F443-M447 HydrophobicContact CZ-SD 4.23Å; F443-M447 WeakPolarHBondContact O-CG 3.25Å; F443-M447 PolarHBondContact O-N 3.4Å
444I90.9Very high89.5Confident98 Ų98115.7 Ų115.750%0.50353%0.529SS..Hα-helixtrans-64.1-49.8175.4-66.6162.8000109.8R440 Q441 Q446 M447 E448R440-I444 WeakPolarHBondContact O-CG1 3.5Å; R440-I444 PolarHBondContact O-N 3.1Å; Q441-I444 PolarHBondContact O-N 2.7Å; Q441-I444 VanDerWaalsContact O-N 3.14Å; I444-Q446 VanDerWaalsContact C-N 3.31Å; I444-Q446 PolarHBondContact O-N 2.67Å; I444-M447 PolarHBondContact O-N 2.84Å; I444-E448 PolarHBondContact O-N 3.04Å
445E91.2Very high89.7Confident104 Ų104115.6 Ų115.649%0.48652%0.523SS..Hα-helixtrans-56.8-43176.8-167-154.3146.300111.6Q441 M447 E448 K449Q441-E445 PolarHBondContact O-N 3.34Å; E445-M447 VanDerWaalsContact C-N 3.33Å; E445-M447 PolarHBondContact O-N 2.9Å; E445-E448 PolarHBondContact O-N 2.92Å; E445-K449 WeakPolarHBondContact O-CB 3.28Å; E445-K449 PolarHBondContact O-N 3.17Å; E445-K449 IonicContact OE1-NZ 2.67Å
446Q89.1Confident90Very high125 Ų125110 Ų11058%0.58451%0.514SS*.Hα-helixtrans-65.8-32.4176.9-77.4-178.223.900113.5V442 F443 I444 R450V442-Q446 WeakPolarHBondContact O-CB 3.17Å; V442-Q446 VanDerWaalsContact O-CG 3.27Å; V442-Q446 WeakPolarHBondContact O-CG 3.35Å; V442-Q446 PolarHBondContact O-N 2.89Å; V442-Q446 VanDerWaalsContact O-N 3.07Å; F443-Q446 PolarHBondContact O-N 3.05Å; I444-Q446 VanDerWaalsContact C-N 3.31Å; I444-Q446 PolarHBondContact O-N 2.67Å; Q446-R450 WeakPolarHBondContact O-CB 3.28Å; Q446-R450 PolarHBondContact O-N 3.42Å
447M89.2Confident90.3Very high100 Ų100111.5 Ų111.549%0.49352%0.518SS..Hα-helixtrans-74.9-44.7176.1-74-62.2-59.600111.5F443 I444 E445 R450 E451F443-M447 HydrophobicContact CD1-CG 4.32Å; F443-M447 HydrophobicContact CE1-CG 3.87Å; F443-M447 HydrophobicContact CE2-CG 4.4Å; F443-M447 HydrophobicContact CZ-CG 3.91Å; F443-M447 HydrophobicContact CZ-SD 4.23Å; F443-M447 WeakPolarHBondContact O-CG 3.25Å; F443-M447 PolarHBondContact O-N 3.4Å; I444-M447 PolarHBondContact O-N 2.84Å; E445-M447 VanDerWaalsContact C-N 3.33Å; E445-M447 PolarHBondContact O-N 2.9Å; M447-R450 WeakPolarHBondContact O-CA 3.45Å; M447-R450 WeakPolarHBondContact O-CB 3.5Å; M447-R450 PolarHBondContact O-N 3.15Å; M447-R450 VanDerWaalsContact O-N 3.09Å; M447-E451 PolarHBondContact O-N 3.49Å
448E92.2Very high90.6Very high125 Ų125113.4 Ų113.458%0.58453%0.527SS*.Hα-helixtrans-60.3-47.9175.7-178.7170.7-15200111.5I444 E445 R450 E451 E452I444-E448 PolarHBondContact O-N 3.04Å; E445-E448 PolarHBondContact O-N 2.92Å; E448-R450 PolarHBondContact O-N 3.15Å; E448-R450 VanDerWaalsContact O-N 3.17Å; E448-E451 WeakPolarHBondContact O-CA 3.42Å; E448-E451 WeakPolarHBondContact O-CB 3.49Å; E448-E451 PolarHBondContact O-N 3.33Å; E448-E452 PolarHBondContact O-N 3.43Å
449K92.5Very high90.7Very high98 Ų98114.8 Ų114.843%0.42653%0.527SS..Hα-helixtrans-62.6-21.6174.8-164.8172.3-152.2147.90113.4E445 R453E445-K449 WeakPolarHBondContact O-CB 3.28Å; E445-K449 PolarHBondContact O-N 3.17Å; E445-K449 IonicContact OE1-NZ 2.67Å; K449-R453 VanDerWaalsContact O-CD 3.29Å; K449-R453 WeakPolarHBondContact O-CD 3.46Å; K449-R453 WeakPolarHBondContact O-CG 3.47Å; K449-R453 PolarHBondContact O-N 3.02Å
450R89.7Confident90.7Very high157 Ų157110.4 Ų110.459%0.59252%0.518SS*.Hα-helixtrans-82.6-35.2172.4-168.5177.2-169.7124.67.4111.9Q446 M447 E448 L454Q446-R450 WeakPolarHBondContact O-CB 3.28Å; Q446-R450 PolarHBondContact O-N 3.42Å; M447-R450 WeakPolarHBondContact O-CA 3.45Å; M447-R450 WeakPolarHBondContact O-CB 3.5Å; M447-R450 PolarHBondContact O-N 3.15Å; M447-R450 VanDerWaalsContact O-N 3.09Å; E448-R450 PolarHBondContact O-N 3.15Å; E448-R450 VanDerWaalsContact O-N 3.17Å; R450-L454 PolarHBondContact O-N 3.12Å
451E89.6Confident90.8Very high104 Ų104108.2 Ų108.249%0.48651%0.513SS..Hα-helixtrans-69.5-44.4174-169.9-178.6121.200111.7M447 E448 R453 L454 R455M447-E451 PolarHBondContact O-N 3.49Å; E448-E451 WeakPolarHBondContact O-CA 3.42Å; E448-E451 WeakPolarHBondContact O-CB 3.49Å; E448-E451 PolarHBondContact O-N 3.33Å; E451-R453 PolarHBondContact O-N 3.27Å; E451-L454 CarbonylContact O-C 3.57Å; E451-L454 WeakPolarHBondContact O-CA 3.25Å; E451-L454 WeakPolarHBondContact O-CB 3.24Å; E451-L454 PolarHBondContact O-N 3.13Å; E451-R455 PolarHBondContact O-N 3.39Å; E451-R455 IonicContact OE1-CZ 2.81Å; E451-R455 IonicContact OE1-NH1 3.44Å; E451-R455 PolarHBondContact OE1-NH1 2.91Å; E451-R455 IonicContact OE1-NH2 3.44Å; E451-R455 PolarHBondContact OE1-NH2 3.47Å
452E90.6Very high90.9Very high119 Ų119108.4 Ų108.456%0.55651%0.512SS*.Hα-helixtrans-56.4-48.9174.2-176.2-170.7-145.100111.5E448 L454 R455 A456E448-E452 PolarHBondContact O-N 3.43Å; E452-L454 PolarHBondContact O-N 3.4Å; E452-R455 PolarHBondContact O-N 2.95Å; E452-A456 WeakPolarHBondContact O-CB 3.46Å; E452-A456 PolarHBondContact O-N 2.97Å
453R89.5Confident90.9Very high178 Ų178111.3 Ų111.367%0.67252%0.521SS*.Hα-helixtrans-58.6-33.8174.1-75.9171.8174.4-171.6-5.1112.9K449 E451 F457K449-R453 VanDerWaalsContact O-CD 3.29Å; K449-R453 WeakPolarHBondContact O-CD 3.46Å; K449-R453 WeakPolarHBondContact O-CG 3.47Å; K449-R453 PolarHBondContact O-N 3.02Å; E451-R453 PolarHBondContact O-N 3.27Å; R453-F457 WeakPolarHBondContact O-CB 3.45Å; R453-F457 PolarHBondContact O-N 3.12Å; R453-F457 VanDerWaalsContact O-N 3.09Å
454L90.8Very high91Very high90 Ų90111.9 Ų111.947%0.47152%0.523SS..Hα-helixtrans-76-35177.7-176.260.9000112.4R450 E451 E452 Q458R450-L454 PolarHBondContact O-N 3.12Å; E451-L454 CarbonylContact O-C 3.57Å; E451-L454 WeakPolarHBondContact O-CA 3.25Å; E451-L454 WeakPolarHBondContact O-CB 3.24Å; E451-L454 PolarHBondContact O-N 3.13Å; E452-L454 PolarHBondContact O-N 3.4Å; L454-Q458 WeakPolarHBondContact O-CG 3.43Å; L454-Q458 PolarHBondContact O-N 3.21Å; L454-Q458 PolarHBondContact O-NE2 3.34Å
455R90.5Very high90.9Very high127 Ų127113 Ų11348%0.47953%0.528SS..Hα-helixtrans-61.9-56.6168.1-81.3-167-87.9-88.9-4.2110.6E451 E452 F457 Q458 D459E451-R455 PolarHBondContact O-N 3.39Å; E451-R455 IonicContact OE1-CZ 2.81Å; E451-R455 IonicContact OE1-NH1 3.44Å; E451-R455 PolarHBondContact OE1-NH1 2.91Å; E451-R455 IonicContact OE1-NH2 3.44Å; E451-R455 PolarHBondContact OE1-NH2 3.47Å; E452-R455 PolarHBondContact O-N 2.95Å; R455-F457 PolarHBondContact O-N 2.9Å; R455-F457 VanDerWaalsContact O-N 3.15Å; R455-Q458 WeakPolarHBondContact O-CA 3.33Å; R455-Q458 WeakPolarHBondContact O-CB 3.42Å; R455-Q458 PolarHBondContact O-N 2.81Å; R455-D459 PolarHBondContact O-N 3.13Å
456A91.7Very high90.9Very high58 Ų58112.8 Ų112.848%0.47953%0.527SS..Hα-helixtrans-55.9-36.4-178.700000113.2E452 A460E452-A456 WeakPolarHBondContact O-CB 3.46Å; E452-A456 PolarHBondContact O-N 2.97Å; A456-A460 VanDerWaalsContact O-CB 3.25Å; A456-A460 WeakPolarHBondContact O-CB 3.33Å; A456-A460 PolarHBondContact O-N 2.85Å
457F91.5Very high91Very high126 Ų126109.7 Ų109.755%0.55352%0.523SS*.Hα-helixtrans-66.3-42.1173.2-177.8-95.7000112.8R453 R455 Q461R453-F457 WeakPolarHBondContact O-CB 3.45Å; R453-F457 PolarHBondContact O-N 3.12Å; R453-F457 VanDerWaalsContact O-N 3.09Å; R455-F457 PolarHBondContact O-N 2.9Å; R455-F457 VanDerWaalsContact O-N 3.15Å; F457-Q461 HydrophobicContact CD1-CG 4.32Å; F457-Q461 HydrophobicContact CE1-CG 3.99Å; F457-Q461 HydrophobicContact CZ-CG 4.19Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.31Å; F457-Q461 VanDerWaalsContact O-CG 3.28Å; F457-Q461 WeakPolarHBondContact O-CG 3.37Å; F457-Q461 PolarHBondContact O-N 2.88Å
458Q91.6Very high91Very high114 Ų114112.9 Ų112.953%0.53353%0.529SS..Hα-helixtrans-66.7-43.6177.1-71.9175.155.900111.6L454 R455 A460 Q461 K462L454-Q458 WeakPolarHBondContact O-CG 3.43Å; L454-Q458 PolarHBondContact O-N 3.21Å; L454-Q458 PolarHBondContact O-NE2 3.34Å; R455-Q458 WeakPolarHBondContact O-CA 3.33Å; R455-Q458 WeakPolarHBondContact O-CB 3.42Å; R455-Q458 PolarHBondContact O-N 2.81Å; Q458-A460 PolarHBondContact O-N 2.99Å; Q458-Q461 PolarHBondContact O-N 3.13Å; Q458-K462 WeakPolarHBondContact O-CB 3.5Å; Q458-K462 PolarHBondContact O-N 2.86Å
459D92.2Very high91Very high84 Ų84114 Ų11445%0.44953%0.532SS..Hα-helixtrans-63.3-40.5176.6-68.5-45.8000111.8R455 Q461 K462 Q463R455-D459 PolarHBondContact O-N 3.13Å; D459-Q461 PolarHBondContact O-N 3.37Å; D459-K462 PolarHBondContact O-N 2.81Å; D459-Q463 WeakPolarHBondContact O-CB 3.42Å; D459-Q463 WeakPolarHBondContact O-CG 3.45Å; D459-Q463 PolarHBondContact O-N 3.46Å
460A91.1Very high91Very high54 Ų54116.3 Ų116.345%0.44654%0.542SS..Hα-helixtrans-63.8-38.617400000112.8A456 Q458 K464A456-A460 VanDerWaalsContact O-CB 3.25Å; A456-A460 WeakPolarHBondContact O-CB 3.33Å; A456-A460 PolarHBondContact O-N 2.85Å; Q458-A460 PolarHBondContact O-N 2.99Å; A460-K464 VanDerWaalsContact O-CB 3.24Å; A460-K464 WeakPolarHBondContact O-CB 3.48Å; A460-K464 PolarHBondContact O-N 2.85Å
461Q91.8Very high91.1Very high87 Ų87111.5 Ų111.541%0.40754%0.536SS..Hα-helixtrans-68-39.2174.1-66.5-70.8-0.700111.7F457 Q458 D459 K464 M465F457-Q461 HydrophobicContact CD1-CG 4.32Å; F457-Q461 HydrophobicContact CE1-CG 3.99Å; F457-Q461 HydrophobicContact CZ-CG 4.19Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.31Å; F457-Q461 VanDerWaalsContact O-CG 3.28Å; F457-Q461 WeakPolarHBondContact O-CG 3.37Å; F457-Q461 PolarHBondContact O-N 2.88Å; Q458-Q461 PolarHBondContact O-N 3.13Å; D459-Q461 PolarHBondContact O-N 3.37Å; Q461-K464 PolarHBondContact O-N 2.66Å; Q461-M465 WeakPolarHBondContact O-CG 3.19Å; Q461-M465 PolarHBondContact O-N 3.45Å
462K93.5Very high91.2Very high123 Ų123111.1 Ų111.154%0.53554%0.537SS..Hα-helixtrans-61.3-53174.4179-179.4170-174.90111.2Q458 D459 K464 M465 E466Q458-K462 WeakPolarHBondContact O-CB 3.5Å; Q458-K462 PolarHBondContact O-N 2.86Å; D459-K462 PolarHBondContact O-N 2.81Å; K462-K464 VanDerWaalsContact C-N 3.28Å; K462-K464 PolarHBondContact O-N 3.04Å; K462-M465 WeakPolarHBondContact O-CB 3.36Å; K462-M465 PolarHBondContact O-N 3.07Å; K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 WeakPolarHBondContact CG-OE1 2.88Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.05Å
463Q90.8Very high91.2Very high133 Ų133110.8 Ų110.862%0.62154%0.536SS*.Hα-helixtrans-57.5-39.9176.1-72.6-179.3800112.1D459 M465 E466 A467D459-Q463 WeakPolarHBondContact O-CB 3.42Å; D459-Q463 WeakPolarHBondContact O-CG 3.45Å; D459-Q463 PolarHBondContact O-N 3.46Å; Q463-M465 VanDerWaalsContact C-N 3.34Å; Q463-M465 PolarHBondContact O-N 3.25Å; Q463-E466 PolarHBondContact O-N 3.09Å; Q463-A467 VanDerWaalsContact O-CB 3.25Å; Q463-A467 WeakPolarHBondContact O-CB 3.44Å; Q463-A467 PolarHBondContact O-N 3.26Å
464K91.1Very high91.2Very high145 Ų145108.4 Ų108.463%0.6353%0.532SS*.Hα-helixtrans-64.3-35.9176-173.8176.2-177.6177.20112.8A460 Q461 K462 R468A460-K464 VanDerWaalsContact O-CB 3.24Å; A460-K464 WeakPolarHBondContact O-CB 3.48Å; A460-K464 PolarHBondContact O-N 2.85Å; Q461-K464 PolarHBondContact O-N 2.66Å; K462-K464 VanDerWaalsContact C-N 3.28Å; K462-K464 PolarHBondContact O-N 3.04Å; K464-R468 WeakPolarHBondContact O-CB 3.46Å; K464-R468 PolarHBondContact O-N 3.46Å
465M88.9Confident91.2Very high121 Ų121112.9 Ų112.960%0.59654%0.543SS*.Hα-helixtrans-72.7-41.2174.2-74.9-66.8-70.600112.2Q461 K462 Q463 R468 K469Q461-M465 WeakPolarHBondContact O-CG 3.19Å; Q461-M465 PolarHBondContact O-N 3.45Å; K462-M465 WeakPolarHBondContact O-CB 3.36Å; K462-M465 PolarHBondContact O-N 3.07Å; Q463-M465 VanDerWaalsContact C-N 3.34Å; Q463-M465 PolarHBondContact O-N 3.25Å; M465-R468 PolarHBondContact O-N 3.45Å; M465-K469 PolarHBondContact O-N 3.24Å
466E90.4Very high91.2Very high101 Ų101113.5 Ų113.547%0.47255%0.549SS..Hα-helixtrans-65.9-44.9176.9-72170.9174.900111.8K462 Q463 R468 K469 K470K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 WeakPolarHBondContact CG-OE1 2.88Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.05Å; Q463-E466 PolarHBondContact O-N 3.09Å; E466-R468 VanDerWaalsContact C-N 3.29Å; E466-R468 PolarHBondContact O-N 2.96Å; E466-K469 WeakPolarHBondContact O-CB 3.39Å; E466-K469 PolarHBondContact O-N 3.16Å; E466-K469 VanDerWaalsContact O-N 3.12Å; E466-K470 PolarHBondContact O-N 3.24Å
467A91.2Very high91.2Very high60 Ų60115.3 Ų115.350%0.49655%0.55SS.*Hα-helixtrans-59.8-39.317300000112Q463 K470 A471Q463-A467 VanDerWaalsContact O-CB 3.25Å; Q463-A467 WeakPolarHBondContact O-CB 3.44Å; Q463-A467 PolarHBondContact O-N 3.26Å; A467-K470 PolarHBondContact O-N 2.81Å; A467-A471 WeakPolarHBondContact O-CB 3.47Å; A467-A471 PolarHBondContact O-N 2.9Å
468R89.8Confident91.1Very high167 Ų167111.8 Ų111.863%0.6354%0.544SS*.Hα-helixtrans-67.6-36174.3-172-178.5-174.2-174.14.3112.6K464 M465 E466 N472K464-R468 WeakPolarHBondContact O-CB 3.46Å; K464-R468 PolarHBondContact O-N 3.46Å; M465-R468 PolarHBondContact O-N 3.45Å; E466-R468 VanDerWaalsContact C-N 3.29Å; E466-R468 PolarHBondContact O-N 2.96Å; R468-N472 VanDerWaalsContact O-CG 3.31Å; R468-N472 PolarHBondContact O-N 3.46Å; R468-N472 VanDerWaalsContact O-N 3.13Å; R468-N472 PolarHBondContact O-ND2 3.02Å
469K92.6Very high91.1Very high148 Ų148110.7 Ų110.764%0.64355%0.545SS*.Hα-helixtrans-62.9-52.2173-175.1178.9176-179.60110.1M465 E466 A471 N472 E473M465-K469 PolarHBondContact O-N 3.24Å; E466-K469 WeakPolarHBondContact O-CB 3.39Å; E466-K469 PolarHBondContact O-N 3.16Å; E466-K469 VanDerWaalsContact O-N 3.12Å; K469-A471 PolarHBondContact O-N 3.17Å; K469-N472 WeakPolarHBondContact O-CB 3.47Å; K469-N472 PolarHBondContact O-N 3.44Å; K469-N472 VanDerWaalsContact O-N 3.12Å; K469-E473 WeakPolarHBondContact O-CB 3.38Å; K469-E473 PolarHBondContact O-N 3.17Å
470K92.9Very high91Very high146 Ų146111.9 Ų111.964%0.63555%0.548SS*.Hα-helixtrans-56.3-46.2178-173.8177.3178.3-179.30112.5E466 A467 N472 E473 E474E466-K470 PolarHBondContact O-N 3.24Å; A467-K470 PolarHBondContact O-N 2.81Å; K470-N472 VanDerWaalsContact C-N 3.32Å; K470-N472 PolarHBondContact O-N 3.45Å; K470-E473 PolarHBondContact O-N 3.34Å; K470-E474 WeakPolarHBondContact O-CB 3.48Å; K470-E474 PolarHBondContact O-N 2.91Å
471A90.5Very high91Very high56 Ų56114.9 Ų114.946%0.46355%0.553SS.*Hα-helixtrans-66.8-29.7178.700000113.6A467 K469 R475A467-A471 WeakPolarHBondContact O-CB 3.47Å; A467-A471 PolarHBondContact O-N 2.9Å; K469-A471 PolarHBondContact O-N 3.17Å; A471-R475 VanDerWaalsContact O-CB 3.27Å; A471-R475 WeakPolarHBondContact O-CB 3.49Å; A471-R475 PolarHBondContact O-N 3.26Å
472N91.2Very high90.9Very high96 Ų96119.7 Ų119.751%0.51357%0.567SS.*Hα-helixtrans-73-38.6172-76.3-25.2000111.9R468 K469 K470 R475 F476R468-N472 VanDerWaalsContact O-CG 3.31Å; R468-N472 PolarHBondContact O-N 3.46Å; R468-N472 VanDerWaalsContact O-N 3.13Å; R468-N472 PolarHBondContact O-ND2 3.02Å; K469-N472 WeakPolarHBondContact O-CB 3.47Å; K469-N472 PolarHBondContact O-N 3.44Å; K469-N472 VanDerWaalsContact O-N 3.12Å; K470-N472 VanDerWaalsContact C-N 3.32Å; K470-N472 PolarHBondContact O-N 3.45Å; N472-R475 PolarHBondContact O-N 2.95Å; N472-F476 PolarHBondContact O-N 3.11Å
473E91.1Very high90.6Very high112 Ų112120.3 Ų120.352%0.52357%0.567SS.*Hα-helixtrans-67.6-47.3178.9-174.6171.1-177.700111.4K469 K470 R475 F476 L477K469-E473 WeakPolarHBondContact O-CB 3.38Å; K469-E473 PolarHBondContact O-N 3.17Å; K470-E473 PolarHBondContact O-N 3.34Å; E473-R475 VanDerWaalsContact C-N 3.3Å; E473-R475 PolarHBondContact O-N 3.04Å; E473-F476 WeakPolarHBondContact O-CB 3.28Å; E473-F476 PolarHBondContact O-N 3.29Å; E473-F476 VanDerWaalsContact O-N 3.08Å; E473-L477 WeakPolarHBondContact O-CG 3.25Å; E473-L477 PolarHBondContact O-N 3.36Å
474E90.9Very high90.5Very high129 Ų129119.3 Ų119.360%0.60356%0.562SS**Hα-helixtrans-56.8-42.9171.2-174.1180163.300111.7K470 F476 L477 A478K470-E474 WeakPolarHBondContact O-CB 3.48Å; K470-E474 PolarHBondContact O-N 2.91Å; E474-F476 VanDerWaalsContact C-N 3.35Å; E474-F476 PolarHBondContact O-N 2.96Å; E474-L477 PolarHBondContact O-N 2.88Å; E474-A478 WeakPolarHBondContact O-CB 3.4Å; E474-A478 PolarHBondContact O-N 2.83Å
475R90Very high90.2Very high183 Ų183117.7 Ų117.769%0.69156%0.557SS**Hα-helixtrans-65-35.5175.1-175.2179.5-179.1-168.61.4112.9A471 N472 E473 V479A471-R475 VanDerWaalsContact O-CB 3.27Å; A471-R475 WeakPolarHBondContact O-CB 3.49Å; A471-R475 PolarHBondContact O-N 3.26Å; N472-R475 PolarHBondContact O-N 2.95Å; E473-R475 VanDerWaalsContact C-N 3.3Å; E473-R475 PolarHBondContact O-N 3.04Å; R475-V479 WeakPolarHBondContact O-CG2 3.34Å; R475-V479 PolarHBondContact O-N 3.05Å; R475-V479 VanDerWaalsContact O-N 3.12Å
476F89.7Confident89.7Confident141 Ų141117.1 Ų117.162%0.61856%0.555SS**Hα-helixtrans-67.2-48.5175.7179.3-93.7000110.8N472 E473 E474 A478 V479 Q480N472-F476 PolarHBondContact O-N 3.11Å; E473-F476 WeakPolarHBondContact O-CB 3.28Å; E473-F476 PolarHBondContact O-N 3.29Å; E473-F476 VanDerWaalsContact O-N 3.08Å; E474-F476 VanDerWaalsContact C-N 3.35Å; E474-F476 PolarHBondContact O-N 2.96Å; F476-A478 VanDerWaalsContact C-N 3.35Å; F476-A478 PolarHBondContact O-N 3.3Å; F476-V479 PolarHBondContact O-N 3.38Å; F476-V479 VanDerWaalsContact O-N 3.14Å; F476-Q480 PolarHBondContact O-N 3.18Å
477L91.6Very high89.1Confident96 Ų96117.2 Ų117.250%0.50356%0.558SS.*Hα-helixtrans-59.3-42.9175.9-67.7170.4000111.8E473 E474 V479 Q480 Q481E473-L477 WeakPolarHBondContact O-CG 3.25Å; E473-L477 PolarHBondContact O-N 3.36Å; E474-L477 PolarHBondContact O-N 2.88Å; L477-V479 VanDerWaalsContact C-N 3.33Å; L477-V479 PolarHBondContact O-N 3.32Å; L477-Q480 PolarHBondContact O-N 3.46Å; L477-Q481 WeakPolarHBondContact O-CB 3.46Å; L477-Q481 PolarHBondContact O-N 3.05Å
478A90.5Very high88.2Confident51 Ų51120.6 Ų120.642%0.42156%0.563SS.*Hα-helixtrans-63.9-34.917600000113.1E474 F476 R482E474-A478 WeakPolarHBondContact O-CB 3.4Å; E474-A478 PolarHBondContact O-N 2.83Å; F476-A478 VanDerWaalsContact C-N 3.35Å; F476-A478 PolarHBondContact O-N 3.3Å; A478-R482 VanDerWaalsContact O-CB 3.27Å; A478-R482 WeakPolarHBondContact O-CB 3.45Å; A478-R482 PolarHBondContact O-N 3.43Å
479V90.8Very high86.7Confident92 Ų92114.3 Ų114.356%0.55855%0.55SS**Hα-helixtrans-69.9-42.1173.5167.90000111.2R475 F476 L477 R482 Y483R475-V479 WeakPolarHBondContact O-CG2 3.34Å; R475-V479 PolarHBondContact O-N 3.05Å; R475-V479 VanDerWaalsContact O-N 3.12Å; F476-V479 PolarHBondContact O-N 3.38Å; F476-V479 VanDerWaalsContact O-N 3.14Å; L477-V479 VanDerWaalsContact C-N 3.33Å; L477-V479 PolarHBondContact O-N 3.32Å; V479-R482 PolarHBondContact O-N 3.39Å; V479-Y483 PolarHBondContact O-N 3Å
480Q90.1Very high84.7Confident109 Ų109113.8 Ų113.851%0.50956%0.555SS.*Hα-helixtrans-62.8-45.9176-171.817910.900111.5F476 L477 R482 Y483 Q484F476-Q480 PolarHBondContact O-N 3.18Å; L477-Q480 PolarHBondContact O-N 3.46Å; Q480-R482 PolarHBondContact O-N 3.02Å; Q480-Y483 PolarHBondContact O-N 3.27Å; Q480-Q484 PolarHBondContact O-N 2.95Å
481Q91.2Very high82.3Confident116 Ų116115.2 Ų115.254%0.54256%0.563SS.*Hα-helixtrans-62.3-42.5175.7-169.3-176.130.700111.5L477 Y483 Q484 Q485L477-Q481 WeakPolarHBondContact O-CB 3.46Å; L477-Q481 PolarHBondContact O-N 3.05Å; Q481-Y483 VanDerWaalsContact C-N 3.32Å; Q481-Y483 PolarHBondContact O-N 3.02Å; Q481-Q484 PolarHBondContact O-N 2.88Å; Q481-Q485 WeakPolarHBondContact O-CB 3.29Å; Q481-Q485 WeakPolarHBondContact O-CG 3.42Å; Q481-Q485 PolarHBondContact O-N 2.9Å
482R90.3Very high79.8Confident189 Ų189120 Ų12071%0.71358%0.58SS**Hα-helixtrans-64.6-35.3175.6-172.3178.4-178.5-163.40.3112.5A478 V479 Q480 M486A478-R482 VanDerWaalsContact O-CB 3.27Å; A478-R482 WeakPolarHBondContact O-CB 3.45Å; A478-R482 PolarHBondContact O-N 3.43Å; V479-R482 PolarHBondContact O-N 3.39Å; Q480-R482 PolarHBondContact O-N 3.02Å; R482-M486 PolarHBondContact O-N 3.45Å
483Y86.8Confident77.3Confident136 Ų136123.8 Ų123.853%0.53360%0.595SS.*Hα-helixtrans-67.4-42.8173.4179.8-109.9000111.5V479 Q480 Q481 Q485 M486 L487V479-Y483 PolarHBondContact O-N 3Å; Q480-Y483 PolarHBondContact O-N 3.27Å; Q481-Y483 VanDerWaalsContact C-N 3.32Å; Q481-Y483 PolarHBondContact O-N 3.02Å; Y483-Q485 PolarHBondContact O-N 3.18Å; Y483-M486 HydrophobicContact CD2-CE 4.36Å; Y483-M486 WeakPolarHBondContact O-CB 3.43Å; Y483-M486 PolarHBondContact O-N 3.4Å; Y483-M486 VanDerWaalsContact O-N 3.12Å; Y483-L487 HydrophobicContact CD1-CD1 4.14Å; Y483-L487 HydrophobicContact CE1-CD1 3.64Å; Y483-L487 HydrophobicContact CE1-CG 4.34Å; Y483-L487 PolarHBondContact O-N 3.45Å
484Q88Confident74.8Confident111 Ų111124.2 Ų124.252%0.51961%0.605SS.*Hα-helixtrans-62.5-41.5174.4-165.7175.734.900112.2Q480 Q481 M486 L487 Q488Q480-Q484 PolarHBondContact O-N 2.95Å; Q481-Q484 PolarHBondContact O-N 2.88Å; Q484-M486 VanDerWaalsContact C-N 3.31Å; Q484-M486 PolarHBondContact O-N 3.02Å; Q484-L487 PolarHBondContact O-N 3.09Å; Q484-Q488 WeakPolarHBondContact O-CG 3.46Å; Q484-Q488 PolarHBondContact O-N 3.44Å
485Q86.1Confident72.3Confident112 Ų112127.3 Ų127.352%0.52362%0.616SS.*Hα-helixtrans-63.6-32.2172.1-74.5175.60.300112.9Q481 Y483 G489Q481-Q485 WeakPolarHBondContact O-CB 3.29Å; Q481-Q485 WeakPolarHBondContact O-CG 3.42Å; Q481-Q485 PolarHBondContact O-N 2.9Å; Y483-Q485 PolarHBondContact O-N 3.18Å; Q485-G489 VanDerWaalsContact O-CA 3.3Å; Q485-G489 WeakPolarHBondContact O-CA 3.41Å; Q485-G489 PolarHBondContact O-N 3Å
486M77.8Confident69.6Low109 Ų109127.1 Ų127.154%0.53762%0.623SS.*Hα-helixtrans-67.6-44.4173.6-170.5-159-52.800111.3R482 Y483 Q484 G489 N490R482-M486 PolarHBondContact O-N 3.45Å; Y483-M486 HydrophobicContact CD2-CE 4.36Å; Y483-M486 WeakPolarHBondContact O-CB 3.43Å; Y483-M486 PolarHBondContact O-N 3.4Å; Y483-M486 VanDerWaalsContact O-N 3.12Å; Q484-M486 VanDerWaalsContact C-N 3.31Å; Q484-M486 PolarHBondContact O-N 3.02Å; M486-G489 PolarHBondContact O-N 3.14Å; M486-N490 PolarHBondContact O-N 3.27Å; M486-N490 PolarHBondContact O-ND2 3.29Å
487L78.8Confident67.2Low103 Ų103124.5 Ų124.554%0.53962%0.623SS.*Hα-helixtrans-63.6-41.3178.2-67.8175.9000112Y483 Q484Y483-L487 HydrophobicContact CD1-CD1 4.14Å; Y483-L487 HydrophobicContact CE1-CD1 3.64Å; Y483-L487 HydrophobicContact CE1-CG 4.34Å; Y483-L487 PolarHBondContact O-N 3.45Å; Q484-L487 PolarHBondContact O-N 3.09Å
488Q71.9Confident64.5Low130 Ų130127 Ų12761%0.60764%0.637SS**Hα-helixtrans-75.3-36.9175.9-67.4173.3-3.700112.4Q484 N490 H491Q484-Q488 WeakPolarHBondContact O-CG 3.46Å; Q484-Q488 PolarHBondContact O-N 3.44Å; Q488-N490 VanDerWaalsContact C-N 3.3Å; Q488-N490 PolarHBondContact O-N 3.46Å; Q488-H491 PolarHBondContact O-N 2.91Å; Q488-H491 VanDerWaalsContact O-N 3.16Å
489G57.8Low61.8Low35 Ų35130.9 Ų130.936%0.36166%0.655SS.*Hα-helixtrans-66-26.4-17500000114.3Q485 M486 H491 L492Q485-G489 VanDerWaalsContact O-CA 3.3Å; Q485-G489 WeakPolarHBondContact O-CA 3.41Å; Q485-G489 PolarHBondContact O-N 3Å; M486-G489 PolarHBondContact O-N 3.14Å; G489-H491 PolarHBondContact O-N 3.41Å; G489-L492 PolarHBondContact O-N 3.42Å
490N50.1Low59.2Low138 Ų138131.8 Ų131.874%0.73867%0.665SS**THydrogen-bonded Turntrans-64.7-5.6173.9-74.2-25.9000114.1M486 Q488M486-N490 PolarHBondContact O-N 3.27Å; M486-N490 PolarHBondContact O-ND2 3.29Å; Q488-N490 VanDerWaalsContact C-N 3.3Å; Q488-N490 PolarHBondContact O-N 3.46Å
491H42.2Very low56.8Low175 Ų175132.4 Ų132.481%0.8168%0.676SS**THydrogen-bonded Turntrans-100.1-8.7172.1-125.2-65.5000114.5Q488 G489 Q493Q488-H491 PolarHBondContact O-N 2.91Å; Q488-H491 VanDerWaalsContact O-N 3.16Å; G489-H491 PolarHBondContact O-N 3.41Å; H491-Q493 PolarHBondContact O-N 3.05Å
492L38.4Very low54.2Low157 Ų157133.6 Ų133.682%0.82269%0.692SS**SBendtrans-9196.7172.4-96.7165.1000109.5G489 V494G489-L492 PolarHBondContact O-N 3.42Å; L492-V494 PolarHBondContact O-N 3.31Å
493Q39Very low51.8Low176 Ų176129.2 Ų129.282%0.82269%0.69SS**  trans-57.2133.1-177.8-66.7177.51.700112.4H491 K495H491-Q493 PolarHBondContact O-N 3.05Å; Q493-K495 PolarHBondContact O-N 3Å
494V39Very low49.6Very low121 Ų121128.7 Ų128.773%0.73370%0.701SS**  trans-12.8101.3145-177.30000112.6L492 E496L492-V494 PolarHBondContact O-N 3.31Å; V494-E496 HydrophobicContact CG1-CB 4.11Å; V494-E496 HydrophobicContact CG1-CG 4.01Å
495K37.6Very low47.2Very low193 Ų193132.3 Ų132.384%0.83972%0.718SS**  trans-109.949.9167.6-157.2172.4-176.2177.20111Q493 S497Q493-K495 PolarHBondContact O-N 3Å; K495-S497 PolarHBondContact O-N 3.17Å
496E34.6Very low44.9Very low179 Ų179132.2 Ų132.284%0.83673%0.727SS**  trans-74.695168.4-71.1-171.8151.900110.2V494V494-E496 HydrophobicContact CG1-CB 4.11Å; V494-E496 HydrophobicContact CG1-CG 4.01Å
497S37.8Very low42.9Very low87 Ų87132.3 Ų132.361%0.60874%0.738SS**  trans-158.189.5160.666.40000112.8K495K495-S497 PolarHBondContact O-N 3.17Å
498N36.8Very low41Very low149 Ų149134.7 Ų134.780%0.79775%0.751SS**  trans36.2104139.3-53.6-36.4000119.1S500N498-S500 PolarHBondContact O-N 2.95Å; N498-S500 VanDerWaalsContact O-N 3.16Å
499T32.7Very low39.4Very low131 Ų131135 Ų13580%0.80476%0.762SS**  35.270.6121.7-37.30000117.6V501T499-V501 HydrophobicContact CG2-CG2 4.28Å; T499-V501 PolarHBondContact O-N 2.7Å; T499-V501 VanDerWaalsContact O-N 3.15Å
500S35.9Very low38.2Very low111 Ų111138.4 Ų138.478%0.77678%0.78SS**  trans-81.784.5171.360.40000111.9N498 T502N498-S500 PolarHBondContact O-N 2.95Å; N498-S500 VanDerWaalsContact O-N 3.16Å; S500-T502 PolarHBondContact O-N 3.05Å
501V39Very low37.5Very low122 Ų122136 Ų13674%0.73978%0.779SS**  trans-79.6105.2166175.30000108.7T499 S503T499-V501 HydrophobicContact CG2-CG2 4.28Å; T499-V501 PolarHBondContact O-N 2.7Å; T499-V501 VanDerWaalsContact O-N 3.15Å; V501-S503 PolarHBondContact O-N 3.09Å; V501-S503 VanDerWaalsContact O-N 3.13Å
502T37.9Very low37.1Very low141 Ų141137.5 Ų137.587%0.86578%0.784SS**  trans-79.491.3177.3-55.70000110.7S500S500-T502 PolarHBondContact O-N 3.05Å
503S38.7Very low37Very low97 Ų97136.1 Ų136.168%0.67878%0.784SS**  trans-155.8118.5164.2-162.20000113.4V501V501-S503 PolarHBondContact O-N 3.09Å; V501-S503 VanDerWaalsContact O-N 3.13Å
504V41.3Very low36.8Very low125 Ų125135.2 Ų135.276%0.75878%0.784SS**  trans54.993.8154.2-171.80000119.5
505Q36.8Very low36.6Very low188 Ų188136.4 Ų136.488%0.87978%0.781SS**  trans58.4156.3134.4-81.7-168.9-35.800123.7
506P38.8Very low36.6Very low110 Ų110133.5 Ų133.571%0.71478%0.782SS**  trans-111.3165.7-171.241.9-33.6000115.1
507S36.6Very low36.9Very low110 Ų110129.8 Ų129.877%0.76977%0.772SS**  trans-164.9113.613828.30000114.1
508N37.2Very low36.6Very low153 Ų153131.9 Ų131.982%0.81878%0.781SS**  trans53.9149.8137.2-57.2-15.9000124.1
509V39.8Very low36.6Very low136 Ų136130.2 Ų130.282%0.82478%0.776SS**  trans87.293.4156.4-158.10000119.8
510S33Very low36.6Very low108 Ų108132 Ų13276%0.75578%0.78SS**  trans72.287.5134.4-150.80000122.1
511A34Very low36.6Very low86 Ų86135.5 Ų135.571%0.71178%0.781SS**  45.990.9119.700000120.8
512K35.1Very low36.4Very low208 Ų208139 Ų13990%0.90479%0.786SS**  -173.1113.6125.9-104.9165.1-175.1174.70112
513P34.5Very low36.2Very low127 Ų127137.9 Ų137.983%0.82578%0.783SS**  trans-135.5138.5139.835-22.5000112.2
514L36.2Very low35.7Very low157 Ų157141.5 Ų141.582%0.82279%0.789SS**  trans-133.2130.8173.8-104.6170000110.2
515Q34.6Very low35.5Very low146 Ų146141.7 Ų141.768%0.68279%0.79SS**  trans63.9116166.3-53.6-176.98.700118.8T517Q515-T517 HydrophobicContact CB-CG2 4.31Å; Q515-T517 VanDerWaalsContact OE1-CG2 3.25Å
516P38.4Very low35.3Very low132 Ų132138.2 Ų138.286%0.85778%0.778SS**PPolyproline II helix-74.9122.2122.38.111.2000108.7
517T39.3Very low35.3Very low102 Ų102140.4 Ų140.463%0.62678%0.783SS**PPolyproline II helixtrans-75.9134.8-176.133.10000113.1Q515Q515-T517 HydrophobicContact CB-CG2 4.31Å; Q515-T517 VanDerWaalsContact OE1-CG2 3.25Å
518T33Very low35.3Very low131 Ų131140.8 Ų140.880%0.80478%0.776SS**PPolyproline II helixtrans-74.1133.4166.746.10000110.4
519V36.1Very low35.2Very low113 Ų113139.7 Ų139.769%0.68578%0.777SS**  trans-120.473174.5-172.10000110.4K521V519-K521 HydrophobicContact CG1-CG 4.19Å; V519-K521 PolarHBondContact O-N 3.48Å
520L32.2Very low35.1Very low170 Ų170139.9 Ų139.989%0.8977%0.771SS**  trans-69.190.3166.4-99.2163.7000110.1K522L520-K522 PolarHBondContact O-N 3.14Å
521K37.2Very low35.2Very low183 Ų183140 Ų14080%0.79676%0.763SS**  trans-88.697.7167.9-87.9-172.9174.3-1790111.2V519 C523V519-K521 HydrophobicContact CG1-CG 4.19Å; V519-K521 PolarHBondContact O-N 3.48Å; K521-C523 PolarHBondContact O-N 3.35Å
522K34.1Very low35.2Very low195 Ų195145.5 Ų145.585%0.84877%0.773SS**  trans-45.1116.7165.6-83.3177.2171176.10110.8L520L520-K522 PolarHBondContact O-N 3.14Å
523C32.6Very low35.2Very low119 Ų119142.4 Ų142.480%0.80477%0.767SS**  trans-108.1104.2153.7-75.30000107.5K521 V525K521-C523 PolarHBondContact O-N 3.35Å; C523-V525 PolarHBondContact O-N 3.28Å
524H30.1Very low35.1Very low173 Ų173142 Ų14280%0.80176%0.762SS**  trans-85.496.6-171.1-15849.5000109.4
525V36.9Very low35Very low128 Ų128142.7 Ų142.778%0.77677%0.766SS**  trans-105.9108.5170.2-178.80000107.6C523 L527C523-V525 PolarHBondContact O-N 3.28Å; V525-L527 PolarHBondContact O-N 2.89Å
526N31.5Very low34.8Very low116 Ų116144.6 Ų144.662%0.6277%0.772SS**  trans-78.6117.2-171.5-170.39.5000111.3N528N526-N528 PolarHBondContact ND2-OD1 3.48Å; N526-N528 PolarHBondContact OD1-OD1 2.85Å
527L38.5Very low34.7Very low156 Ų156145.2 Ų145.282%0.81777%0.773SS**  trans-108.195.4166.8-75.9173000107.8V525 P529V525-L527 PolarHBondContact O-N 2.89Å; L527-P529 VanDerWaalsContact O-CD 3.25Å; L527-P529 WeakPolarHBondContact O-CD 3.45Å
528N36.5Very low34.3Very low117 Ų117148.3 Ų148.363%0.62678%0.78SS**  trans-61.1124.2176-73.9-4.2000111.1N526 M530N526-N528 PolarHBondContact ND2-OD1 3.48Å; N526-N528 PolarHBondContact OD1-OD1 2.85Å; N528-M530 HydrophobicContact CB-CB 4.43Å
529P35.2Very low34Very low130 Ų130149.9 Ų149.984%0.84478%0.784SS**  trans-98.888155.431.9-16000107.5L527L527-P529 VanDerWaalsContact O-CD 3.25Å; L527-P529 WeakPolarHBondContact O-CD 3.45Å
530M37.7Very low33.9Very low140 Ų140153.3 Ų153.369%0.6979%0.789SS**  trans-107.5125.8-171.3-155.874.1-171.400112N528N528-M530 HydrophobicContact CB-CB 4.43Å
531D35.1Very low33.8Very low112 Ų112150.7 Ų150.760%0.59978%0.782SS**  trans55.397162.3-56.3-19.4000119.2N533D531-N533 PolarHBondContact O-N 2.9Å
532H34.4Very low33.4Very low200 Ų200147.9 Ų147.993%0.92678%0.781SS**  trans-61.1120.1143.3-65.8-84.7000108.9
533N36.2Very low33.6Very low143 Ų143145.1 Ų145.177%0.76578%0.78SS**  trans-133.5115.3165.4-113.6-45.3000112.9D531 L535D531-N533 PolarHBondContact O-N 2.9Å; N533-L535 PolarHBondContact O-N 3.23Å
534T31.2Very low33.5Very low120 Ų120146.4 Ų146.474%0.73678%0.777SS**  trans-46.4123178.5-55.60000114K536T534-K536 HydrophobicContact CG2-CG 4.39Å
535L35Very low33.6Very low170 Ų170144.8 Ų144.889%0.8977%0.773SS**  trans-135.3117.2155.1-108.2169000110.3N533N533-L535 PolarHBondContact O-N 3.23Å
536K30.1Very low33.4Very low187 Ų187147.6 Ų147.681%0.81378%0.775SS**  trans-85.6130-179.6-61.7174.2-179.9175.40110.1T534T534-K536 HydrophobicContact CG2-CG 4.39Å
537V35.2Very low33.2Very low145 Ų145150.7 Ų150.788%0.87979%0.786SS**  trans-132.8143.1153.3-176.20000107.8
538Q31.3Very low33Very low167 Ų167150.3 Ų150.378%0.7879%0.79SS**  trans-85.7149.7-168.5-67.2179.7-12.100113.7
539N28.2Very low32.5Very low163 Ų163153.1 Ų153.187%0.87280%0.799SS**  trans-69.7131156.9-70.4-31.3000110.7
540K34Very low32.6Very low186 Ų186151.4 Ų151.481%0.80979%0.788SS**  trans-147.3127149.5-78-160.2177.4-175.20109.9
541P29.9Very low32.4Very low114 Ų114151.7 Ų151.774%0.7479%0.793SS**  trans-107.9168.1-178.941.9-35.9000113.5
542V28.5Very low32.3Very low125 Ų125152.5 Ų152.576%0.75880%0.802SS**  trans64.2121.9164.5-169.10000118.2
543T36.9Very low31.7Very low136 Ų136148.9 Ų148.983%0.83480%0.798SS**  -165.2150.4125.7-72.50000108.7
544I31.9Very low31.7Very low146 Ų146148.6 Ų148.675%0.74980%0.804SS**  trans-116.4169.3-172.8-49.5169.8000108.8
545I31.5Very low31.5Very low139 Ų139150.9 Ų150.971%0.71380%0.803SS**  trans110129.4151.9-57.4173.5000117.8
546K33.2Very low31.5Very low187 Ų187148.2 Ų148.281%0.81380%0.796SS**  trans69.390.5157.8-75.9163.8-167.7177.40122.5
547Q27.3Very low31.5Very low182 Ų182147.1 Ų147.185%0.8579%0.794SS**  10.3129.6109.1-176.2-174.526.200119.4
548T33.1Very low31.7Very low147 Ų147145.6 Ų145.690%0.90279%0.787SS**  trans-161.3162.2143-71.70000108.6
549Q27.8Very low31.8Very low177 Ų177144.3 Ų144.383%0.82779%0.79SS**  trans-114.3-159.3-165.8-143.6-161.650.400113.3
550P35.6Very low32.2Very low93 Ų93140.9 Ų140.960%0.60478%0.779SS**  -117.3-179.4-126.242.4-25.6000115.6
551N34.9Very low32.1Very low147 Ų147140.8 Ų140.879%0.78678%0.779SS**  trans-168133.8149.3-107.8-37.2000117.4
552T32.2Very low32.1Very low129 Ų129142 Ų14279%0.79178%0.778SS**  trans55151145.651.40000125.1
553C22.1Very low32.4Very low124 Ų124142.4 Ų142.484%0.83878%0.776SS**  trans-95.5175-179.9-49.20000114.4
554P34.8Very low32Very low137 Ų137141.9 Ų141.989%0.8977%0.773SS**  -144.5-179.3117.238.3-23.6000116
555K28.5Very low32.2Very low167 Ų167142.4 Ų142.473%0.72678%0.776SS**  trans-152.3142.4-173.7169.6-171.3170.8-173.70114.4
556P34.1Very low32.3Very low115 Ų115144.6 Ų144.675%0.74778%0.783SS**  trans-124.7175.9139.828.6-11.3000111.7
557Q30.3Very low32.4Very low163 Ų163141.5 Ų141.576%0.76278%0.782SS**  cis111143.6-1.6-69.8-170.8-133.700118.3
558P39.4Very low32.6Very low114 Ų114139.1 Ų139.174%0.7478%0.78SS**  -141.2-169.6-124.946.9-30000117.9
559V34.3Very low32.6Very low139 Ų139141.2 Ų141.284%0.84278%0.776SS**  trans-151.3166.2163.2-90.90000108.6
560S35.4Very low32.6Very low92 Ų92140.8 Ų140.864%0.64378%0.779SS**  cis-151.2156.62.2-121.70000109.1
561K33.3Very low32.4Very low184 Ų184145.4 Ų145.480%0.879%0.793SS**  54.1135.889.6-54.3-173.7-179.1-178.10115.6
562L29.8Very low32.2Very low140 Ų140145 Ų14573%0.73380%0.796SS**  cis-155.917118.8-157.673.7000113.3
563N33.8Very low32.1Very low133 Ų133147.9 Ų147.971%0.71180%0.8SS**  trans71.8126.7168.4-58-21.4000117.6
564T29.2Very low32.5Very low124 Ų124150.4 Ų150.476%0.76180%0.799SS**  cis95.1106.95.8-470000118.1
565I35.3Very low32.3Very low158 Ų158152.8 Ų152.881%0.8180%0.795SS**  trans175.492142.1-88.8152.5000106.6
566Q33.8Very low32.5Very low185 Ų185150.9 Ų150.986%0.86480%0.798SS**  74.9137110.9-68.9-158.916.800118.1
567P34.8Very low32.4Very low121 Ų121151.4 Ų151.479%0.78679%0.793SS**  trans-120.2171.1-168.843.8-33.1000115.6
568T31.5Very low32.4Very low133 Ų133149.6 Ų149.682%0.81679%0.793SS**  trans-154130.5159.1-70.10000113.4
569K33.1Very low32Very low190 Ų190149.9 Ų149.983%0.82679%0.793SS**  trans42.7100.8161.8-69.6178.5177.5178.30121.1
570L28.7Very low31.7Very low168 Ų168151.3 Ų151.388%0.8879%0.79SS**  36.2103.8115.3-70.3163.7000119.2
571Q30.8Very low31.5Very low191 Ų191155.9 Ų155.989%0.89380%0.799SS**  -144.9168.6124.4-116.1178.652.900110.1H573Q571-H573 PolarHBondContact O-N 3.48Å
572T31.9Very low31.4Very low138 Ų138152 Ų15285%0.84779%0.79SS**  trans-60.3130.9-160.2-500000114.2E574T572-E574 PolarHBondContact O-N 3.45Å
573H28.5Very low31.3Very low190 Ų190149.3 Ų149.388%0.8878%0.783SS**  trans-68.9107.5168.6-88.8-83.8000110.9Q571Q571-H573 PolarHBondContact O-N 3.48Å
574E30.3Very low31.3Very low177 Ų177150 Ų15083%0.82779%0.786SS**  trans-104136.8149.3-162.5165.5-132.900108.9T572 V576T572-E574 PolarHBondContact O-N 3.45Å; E574-V576 PolarHBondContact O-N 2.97Å
575K31.6Very low31.4Very low186 Ų186151.2 Ų151.281%0.80979%0.786SS**  trans-80.285.5-169.9-172.6-179.5-179.9-179.10109.8I577K575-I577 VanDerWaalsContact C-N 3.3Å; K575-I577 PolarHBondContact O-N 2.85Å
576V31.8Very low31.1Very low128 Ų128149 Ų14978%0.77678%0.784SS**  trans-60.692.8172.6-178.20000109.3E574 T578E574-V576 PolarHBondContact O-N 2.97Å; V576-T578 PolarHBondContact O-N 2.87Å
577I32.8Very low31.3Very low126 Ų126145 Ų14565%0.64678%0.778SS**  trans-67.9117.1160.4-62.6175.5000105.1K575 T579K575-I577 VanDerWaalsContact C-N 3.3Å; K575-I577 PolarHBondContact O-N 2.85Å; I577-T579 PolarHBondContact O-N 2.9Å
578T29.5Very low31.5Very low125 Ų125144.5 Ų144.577%0.76777%0.774SS**  trans-67.184.2174-51.40000109V576 Q580V576-T578 PolarHBondContact O-N 2.87Å; T578-Q580 VanDerWaalsContact C-N 3.34Å; T578-Q580 PolarHBondContact O-N 3.15Å
579T31.6Very low31.8Very low120 Ų120143.9 Ų143.974%0.73677%0.77SS**  trans-60.1101.9163.426.20000107.2I577 K581I577-T579 PolarHBondContact O-N 2.9Å; T579-K581 PolarHBondContact O-N 3.28Å
580Q29Very low32.4Very low168 Ų168139.8 Ų139.879%0.78576%0.76SS**  trans-59.9105.5172.4-163.7176.945.300106.5T578 V582T578-Q580 VanDerWaalsContact C-N 3.34Å; T578-Q580 PolarHBondContact O-N 3.15Å; Q580-V582 PolarHBondContact O-N 3.06Å
581K31Very low33.1Very low189 Ų189139 Ų13982%0.82276%0.757SS**  trans-63.892.7169.5-85.4-173.9176.6-177.40107T579 S583T579-K581 PolarHBondContact O-N 3.28Å; K581-S583 PolarHBondContact O-N 2.96Å
582V29.7Very low34.1Very low101 Ų101137.7 Ų137.761%0.61275%0.751SS**  trans-66.392.1163.4-175.20000105.7Q580 L584Q580-V582 PolarHBondContact O-N 3.06Å; V582-L584 HydrophobicContact CG1-CD2 3.77Å; V582-L584 HydrophobicContact CG1-CG 4.02Å; V582-L584 PolarHBondContact O-N 2.99Å
583S28.2Very low34.9Very low85 Ų85136.7 Ų136.759%0.59475%0.75SS**  trans-68.483.9177.6-69.30000109.2K581 I585K581-S583 PolarHBondContact O-N 2.96Å; S583-I585 PolarHBondContact O-N 3Å
584L34.1Very low36.1Very low146 Ų146133.6 Ų133.676%0.76473%0.734SS**  trans-72.152.8169.9-62.3-180000110.8V582V582-L584 HydrophobicContact CG1-CD2 3.77Å; V582-L584 HydrophobicContact CG1-CG 4.02Å; V582-L584 PolarHBondContact O-N 2.99Å
585I31.8Very low37.5Very low151 Ų151129.3 Ų129.377%0.77472%0.716SS**  trans-101.365.5178.2-49.3177.5000108.4S583S583-I585 PolarHBondContact O-N 3Å
586S29.7Very low39.2Very low110 Ų110125 Ų12577%0.76970%0.701SS**  trans-162.124165.358.80000114.5
587S36.2Very low40.6Very low103 Ų103122.1 Ų122.172%0.7269%0.687SS**SBendtrans-63.4125.4157.4-67.20000108.2V589S587-V589 PolarHBondContact O-N 3.46Å
588P40.8Very low41.9Very low109 Ų109121.8 Ų121.871%0.70868%0.683SS**  trans-62.7138.917925.9-33.7000110V590P588-V590 VanDerWaalsContact C-N 3.32Å; P588-V590 PolarHBondContact O-N 3.17Å
589V36.2Very low43.4Very low121 Ų121121.8 Ų121.873%0.73368%0.677SS**  trans-73.187.1-179.3-179.40000109.4S587 N591S587-V589 PolarHBondContact O-N 3.46Å; V589-N591 VanDerWaalsContact CG1-OD1 3.26Å; V589-N591 WeakPolarHBondContact CG1-OD1 3.38Å; V589-N591 PolarHBondContact O-N 3.31Å; V589-N591 VanDerWaalsContact O-N 3.1Å
590V46Very low44.3Very low103 Ų103122 Ų12262%0.62467%0.674SS**  trans-77.988.9171.3-178.70000108P588 E592P588-V590 VanDerWaalsContact C-N 3.32Å; P588-V590 PolarHBondContact O-N 3.17Å; V590-E592 HydrophobicContact CG1-CB 4.01Å; V590-E592 HydrophobicContact CG1-CG 4.34Å; V590-E592 PolarHBondContact O-N 3.19Å; V590-E592 VanDerWaalsContact O-N 3.1Å
591N43.5Very low45.1Very low152 Ų152118.1 Ų118.181%0.81367%0.665SS**  trans-75.119.8176-82.7-21.5000113.5V589V589-N591 VanDerWaalsContact CG1-OD1 3.26Å; V589-N591 WeakPolarHBondContact CG1-OD1 3.38Å; V589-N591 PolarHBondContact O-N 3.31Å; V589-N591 VanDerWaalsContact O-N 3.1Å
592E52.2Low46Very low164 Ų164117.2 Ų117.277%0.76667%0.669SS**  trans-86.2128.9178.3-65.9-17712900110.1V590 F594V590-E592 HydrophobicContact CG1-CB 4.01Å; V590-E592 HydrophobicContact CG1-CG 4.34Å; V590-E592 PolarHBondContact O-N 3.19Å; V590-E592 VanDerWaalsContact O-N 3.1Å; E592-F594 PolarHBondContact O-N 3.46Å; E592-F594 VanDerWaalsContact O-N 3.09Å
593S48.5Very low46.6Very low117 Ų117116.1 Ų116.182%0.81867%0.666SS**  trans-65.9107.6178.8174.20000110.1D595S593-D595 PolarHBondContact O-N 3.03Å; S593-D595 VanDerWaalsContact O-N 3.09Å
594F53.6Low47.6Very low125 Ų125122.4 Ų122.455%0.54869%0.686SS.*  trans-58.6112.8174.5180-94.7000110.9E592 I596 L599E592-F594 PolarHBondContact O-N 3.46Å; E592-F594 VanDerWaalsContact O-N 3.09Å; F594-I596 HydrophobicContact CD1-CG1 4.04Å; F594-I596 HydrophobicContact CE1-CG1 4.06Å; F594-I596 PolarHBondContact O-N 2.89Å; F594-L599 HydrophobicContact CE1-CD1 3.77Å; F594-L599 HydrophobicContact CE1-CG 4.2Å; F594-L599 HydrophobicContact CZ-CD1 3.85Å; F594-L599 HydrophobicContact CZ-CD2 4.12Å; F594-L599 HydrophobicContact CZ-CG 3.93Å
595D60Low48.3Very low86 Ų86119.9 Ų119.946%0.4668%0.681SS.*  trans-86.2110.5178.7-173.38.3000111.4S593 S597 Q598S593-D595 PolarHBondContact O-N 3.03Å; S593-D595 VanDerWaalsContact O-N 3.09Å; D595-S597 PolarHBondContact O-N 3.14Å; D595-S597 VanDerWaalsContact O-N 3.14Å; D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.5Å; D595-S597 PolarHBondContact OD1-N 3.26Å; D595-S597 PolarHBondContact OD1-OG 3.25Å; D595-S597 WeakPolarHBondContact OD2-CB 3.44Å; D595-S597 PolarHBondContact OD2-OG 3.15Å; D595-Q598 PolarHBondContact O-N 3.21Å
596I66.6Low49.1Very low96 Ų96120.1 Ų120.149%0.49268%0.684SS.*G310 helixtrans-63.2-16.5177-61.2170000111.4F594 Q598 L599 N600F594-I596 HydrophobicContact CD1-CG1 4.04Å; F594-I596 HydrophobicContact CE1-CG1 4.06Å; F594-I596 PolarHBondContact O-N 2.89Å; I596-Q598 PolarHBondContact O-N 2.88Å; I596-L599 PolarHBondContact O-N 3.12Å; I596-L599 VanDerWaalsContact O-N 3.13Å; I596-N600 PolarHBondContact O-ND2 3.13Å; I596-N600 VanDerWaalsContact O-ND2 3.12Å
597S62.1Low50.3Low67 Ų67122.8 Ų122.847%0.46969%0.689SS.*G310 helixtrans-55.5-37.5174.483.50000112.3D595 L599 N600D595-S597 PolarHBondContact O-N 3.14Å; D595-S597 VanDerWaalsContact O-N 3.14Å; D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.5Å; D595-S597 PolarHBondContact OD1-N 3.26Å; D595-S597 PolarHBondContact OD1-OG 3.25Å; D595-S597 WeakPolarHBondContact OD2-CB 3.44Å; D595-S597 PolarHBondContact OD2-OG 3.15Å; S597-L599 PolarHBondContact O-N 2.89Å; S597-N600 PolarHBondContact O-N 3.23Å; S597-N600 PolarHBondContact O-ND2 3.36Å
598Q60.2Low51Low120 Ų120124.8 Ų124.856%0.56169%0.692SS**G310 helixtrans-65.1-23.1-179-62-174.3-11.500113.2D595 I596 N600D595-Q598 PolarHBondContact O-N 3.21Å; I596-Q598 PolarHBondContact O-N 2.88Å; Q598-N600 PolarHBondContact O-N 2.58Å
599L60.4Low51.5Low124 Ų124127.9 Ų127.965%0.64970%0.697SS**G310 helixtrans-77.32.3178.5-64.6-179.7000114.1F594 I596 S597F594-L599 HydrophobicContact CE1-CD1 3.77Å; F594-L599 HydrophobicContact CE1-CG 4.2Å; F594-L599 HydrophobicContact CZ-CD1 3.85Å; F594-L599 HydrophobicContact CZ-CD2 4.12Å; F594-L599 HydrophobicContact CZ-CG 3.93Å; I596-L599 PolarHBondContact O-N 3.12Å; I596-L599 VanDerWaalsContact O-N 3.13Å; S597-L599 PolarHBondContact O-N 2.89Å
600N51.5Low52.3Low126 Ų126128.5 Ų128.567%0.67470%0.704SS**G310 helixtrans-100.71.3179-54.6-83000113.4I596 S597 Q598 D602I596-N600 PolarHBondContact O-ND2 3.13Å; I596-N600 VanDerWaalsContact O-ND2 3.12Å; S597-N600 PolarHBondContact O-N 3.23Å; S597-N600 PolarHBondContact O-ND2 3.36Å; Q598-N600 PolarHBondContact O-N 2.58Å; N600-D602 PolarHBondContact O-N 3.02Å; N600-D602 VanDerWaalsContact O-N 3.15Å
601S45Very low52.6Low86 Ų86130.5 Ų130.560%0.60171%0.711SS**  trans-81.188.5-180-63.70000111.5S603S601-S603 PolarHBondContact O-N 2.67Å
602D49.9Very low53.3Low169 Ų169130.6 Ų130.690%0.90471%0.708SS**  trans-75.759.4172.5-156.924.3000110.3N600N600-D602 PolarHBondContact O-N 3.02Å; N600-D602 VanDerWaalsContact O-N 3.15Å
603S42.9Very low53.7Low79 Ų79131.9 Ų131.955%0.55271%0.711SS**  trans-121.5118.1-162.5-64.30000112.9S601 S605S601-S603 PolarHBondContact O-N 2.67Å; S603-S605 PolarHBondContact O-N 3.24Å
604E49Very low54.2Low217 Ų217129.6 Ų129.6100%1.01469%0.692SS**SBendtrans-74.748.3173.3-60.9179.178.700112.3
605S47.8Very low54.7Low93 Ų93126.9 Ų126.965%0.6569%0.687SS**  trans-14032.6-165.8-171.80000113.5S603S603-S605 PolarHBondContact O-N 3.24Å
606D49.9Very low54.9Low156 Ų156125 Ų12583%0.83469%0.688SS**THydrogen-bonded Turntrans-9313.4-169-153.532.4000114.1
607D54.4Low54.8Low165 Ų165129 Ų12988%0.88270%0.697SS**THydrogen-bonded Turntrans-88.9-15.1-177.3-88.3-53.9000114.5
608D51.3Low54.9Low145 Ų145128.3 Ų128.378%0.77569%0.691SS**SBendtrans-112.7-3-164-88-49.2000116.9P610D608-P610 WeakPolarHBondContact O-CD 3.49Å
609E50.8Low55.3Low175 Ų175129 Ų12982%0.81869%0.689SS**  trans-106.2100.6176.6-73.9-142.7155.400113.8N611E609-N611 PolarHBondContact O-N 2.92Å
610P52.4Low55.8Low134 Ų134133.5 Ų133.587%0.8770%0.703SS**THydrogen-bonded Turntrans-79.412.8-168.932.7-38.5000115.7D608D608-P610 WeakPolarHBondContact O-CD 3.49Å
611N53.8Low56.7Low145 Ų145130.3 Ų130.378%0.77570%0.7SS**THydrogen-bonded Turntrans-105.5-8.9-164.2-122.1-9.7000115.8E609 K613E609-N611 PolarHBondContact O-N 2.92Å; N611-K613 PolarHBondContact O-N 3.21Å; N611-K613 VanDerWaalsContact O-N 3.1Å
612M57Low58Low154 Ų154127.3 Ų127.376%0.75968%0.677SS**  trans-68.7108.2171.6-83.2-135.8170.900111.1V614M612-V614 VanDerWaalsContact C-N 3.27Å; M612-V614 PolarHBondContact O-N 2.82Å
613K61.5Low59.2Low191 Ų191123.8 Ų123.883%0.8366%0.663SS**  trans-71.679.5173.6-76.7179.5-179.8166.80111.3N611 P615N611-K613 PolarHBondContact O-N 3.21Å; N611-K613 VanDerWaalsContact O-N 3.1Å; K613-P615 WeakPolarHBondContact O-CD 3.38Å; K613-P615 VanDerWaalsContact O-N 3.17Å
614V58.2Low60.8Low69 Ų69126.4 Ų126.442%0.41867%0.667SS.*  trans-45.9120.5169.1178.80000109.6M612 C618 R619M612-V614 VanDerWaalsContact C-N 3.27Å; M612-V614 PolarHBondContact O-N 2.82Å; V614-C618 VanDerWaalsContact CG1-SG 3.54Å; V614-R619 HydrophobicContact CG1-CG 4.21Å; V614-R619 PolarHBondContact O-NE 3.15Å; V614-R619 PolarHBondContact O-NH2 3.09Å
615P64Low61.9Low67 Ų67119.6 Ų119.644%0.43564%0.636SS.*  trans-53.6146.3-179.2-30.235.9000113.3K613 W617 C618K613-P615 WeakPolarHBondContact O-CD 3.38Å; K613-P615 VanDerWaalsContact O-N 3.17Å; P615-W617 HydrophobicContact CB-CG 4.44Å; P615-W617 PolarHBondContact O-N 3.06Å; P615-W617 VanDerWaalsContact O-N 3.14Å; P615-C618 PolarHBondContact O-N 3.03Å; P615-C618 PolarHBondContact O-SG 3.27Å
616G63.4Low63.2Low46 Ų46120.1 Ų120.147%0.47463%0.631SS.*G310 helixtrans-56.2-34.4-174.300000114.4C618 R619 N622G616-C618 PolarHBondContact O-N 3.2Å; G616-R619 PolarHBondContact O-N 3.03Å; G616-N622 PolarHBondContact O-ND2 2.87Å
617W65.8Low64.4Low182 Ų182115 Ų11569%0.68961%0.61SS**G310 helixtrans-67-30.5-177.966.9-99.2000114P615 N622P615-W617 HydrophobicContact CB-CG 4.44Å; P615-W617 PolarHBondContact O-N 3.06Å; P615-W617 VanDerWaalsContact O-N 3.14Å; W617-N622 WeakPolarHBondContact CA-ND2 3.29Å
618C64.3Low65.3Low51 Ų51109.2 Ų109.235%0.34559%0.585SS.*G310 helixtrans-99.68.5-179.953.30000114.1V614 P615 G616V614-C618 VanDerWaalsContact CG1-SG 3.54Å; P615-C618 PolarHBondContact O-N 3.03Å; P615-C618 PolarHBondContact O-SG 3.27Å; G616-C618 PolarHBondContact O-N 3.2Å
619R67.6Low66.3Low135 Ų135107 Ų10751%0.50957%0.571SS.*SBendtrans-71.7133.6175.5-69.1-175.8179.7-133.5-9.8111.4V614 G616 G621 N622V614-R619 HydrophobicContact CG1-CG 4.21Å; V614-R619 PolarHBondContact O-NE 3.15Å; V614-R619 PolarHBondContact O-NH2 3.09Å; G616-R619 PolarHBondContact O-N 3.03Å; R619-G621 PolarHBondContact O-N 2.87Å; R619-N622 PolarHBondContact O-N 3.18Å
620K71Confident67.6Low219 Ų219101.7 Ų101.795%0.95255%0.553SS**THydrogen-bonded Turntrans-55.1111.8176.2-176176.8-177.6175.50110.4
621G70.7Confident68.9Low59 Ų5997.8 Ų97.861%0.60853%0.525SS*.THydrogen-bonded Turntrans100.27.3-178.200000115.7R619 P623R619-G621 PolarHBondContact O-N 2.87Å; G621-P623 WeakPolarHBondContact O-CD 3.2Å
622N72.6Confident70Confident22 Ų2292.8 Ų92.812%0.11850%0.499CS..  trans-61.2121.7169.3-176.6-29.2000110.1G616 W617 R619 E624 M625G616-N622 PolarHBondContact O-ND2 2.87Å; W617-N622 WeakPolarHBondContact CA-ND2 3.29Å; R619-N622 PolarHBondContact O-N 3.18Å; N622-E624 VanDerWaalsContact C-N 3.34Å; N622-E624 PolarHBondContact ND2-OE2 2.96Å; N622-E624 PolarHBondContact O-N 3.39Å; N622-E624 WeakPolarHBondContact OD1-CA 3.34Å; N622-E624 WeakPolarHBondContact OD1-CB 3.13Å; N622-E624 VanDerWaalsContact OD1-CG 3.32Å; N622-E624 WeakPolarHBondContact OD1-CG 3.41Å; N622-E624 PolarHBondContact OD1-N 2.93Å; N622-E624 PolarHBondContact OD1-OE2 3.09Å; N622-M625 PolarHBondContact O-N 2.84Å
623P75.6Confident70.9Confident96 Ų9694.8 Ų94.862%0.62350%0.5SS*.Hα-helixtrans-70-25.2-179.529.9-36.3000114G621 I626 A627G621-P623 WeakPolarHBondContact O-CD 3.2Å; P623-I626 PolarHBondContact O-N 3.46Å; P623-A627 WeakPolarHBondContact O-CB 3.35Å; P623-A627 PolarHBondContact O-N 3.01Å
624E75.1Confident71.8Confident133 Ų13388.6 Ų88.662%0.62148%0.481SS*.Hα-helixtrans-63.7-42.9176.8-55168.4137.800110.5N622 I626 A627 A628N622-E624 VanDerWaalsContact C-N 3.34Å; N622-E624 PolarHBondContact ND2-OE2 2.96Å; N622-E624 PolarHBondContact O-N 3.39Å; N622-E624 WeakPolarHBondContact OD1-CA 3.34Å; N622-E624 WeakPolarHBondContact OD1-CB 3.13Å; N622-E624 VanDerWaalsContact OD1-CG 3.32Å; N622-E624 WeakPolarHBondContact OD1-CG 3.41Å; N622-E624 PolarHBondContact OD1-N 2.93Å; N622-E624 PolarHBondContact OD1-OE2 3.09Å; E624-I626 VanDerWaalsContact C-N 3.3Å; E624-I626 PolarHBondContact O-N 2.86Å; E624-A627 PolarHBondContact O-N 2.66Å; E624-A628 WeakPolarHBondContact O-CB 3.27Å; E624-A628 PolarHBondContact O-N 3.26Å
625M73.1Confident72.4Confident74 Ų7490.4 Ų90.437%0.36549%0.488SS..Hα-helixtrans-64.9-35.8175.4-169-175.973.700111.5N622 M629N622-M625 PolarHBondContact O-N 2.84Å; M625-M629 HydrophobicContact CE-CE 4.48Å; M625-M629 HydrophobicContact CG-CE 4.41Å; M625-M629 WeakPolarHBondContact O-CB 3.48Å; M625-M629 VanDerWaalsContact O-CG 3.29Å; M625-M629 WeakPolarHBondContact O-CG 3.47Å; M625-M629 PolarHBondContact O-N 3.46Å; M625-M629 HydrophobicContact SD-CE 4.45Å
626I74.8Confident72.9Confident105 Ų10594 Ų9454%0.53850%0.497SS..Hα-helixtrans-68.8-40.9175.6-61.7171.9000110.6P623 E624 S630P623-I626 PolarHBondContact O-N 3.46Å; E624-I626 VanDerWaalsContact C-N 3.3Å; E624-I626 PolarHBondContact O-N 2.86Å; I626-S630 VanDerWaalsContact O-CB 3.29Å; I626-S630 WeakPolarHBondContact O-CB 3.2Å; I626-S630 PolarHBondContact O-N 3.22Å
627A75.8Confident73.1Confident49 Ų4993.9 Ų93.941%0.40549%0.485SS..Hα-helixtrans-64.4-49.7175.500000111.7P623 E624 M629 S630 D631P623-A627 WeakPolarHBondContact O-CB 3.35Å; P623-A627 PolarHBondContact O-N 3.01Å; E624-A627 PolarHBondContact O-N 2.66Å; A627-M629 PolarHBondContact O-N 3.17Å; A627-S630 CarbonylContact O-C 3.56Å; A627-S630 WeakPolarHBondContact O-CA 3.4Å; A627-S630 WeakPolarHBondContact O-CB 3.11Å; A627-S630 PolarHBondContact O-N 2.87Å; A627-D631 PolarHBondContact O-N 3.04Å
628A72.2Confident73.3Confident43 Ų4390.3 Ų90.336%0.35547%0.474SS..Hα-helixtrans-59.2-45176.700000111.9E624 S630 D631 V632E624-A628 WeakPolarHBondContact O-CB 3.27Å; E624-A628 PolarHBondContact O-N 3.26Å; A628-S630 VanDerWaalsContact C-N 3.33Å; A628-S630 PolarHBondContact O-N 2.89Å; A628-D631 PolarHBondContact O-N 3.07Å; A628-V632 VanDerWaalsContact O-CG2 3.31Å; A628-V632 WeakPolarHBondContact O-CG2 3.39Å; A628-V632 PolarHBondContact O-N 3.33Å
629M73.8Confident73.3Confident99 Ų9995.7 Ų95.749%0.48849%0.488SS..Hα-helixtrans-59.5-42.5171.7-77.8-174.7173.200112.1M625 A627 D631 V632 Y633M625-M629 HydrophobicContact CE-CE 4.48Å; M625-M629 HydrophobicContact CG-CE 4.41Å; M625-M629 WeakPolarHBondContact O-CB 3.48Å; M625-M629 VanDerWaalsContact O-CG 3.29Å; M625-M629 WeakPolarHBondContact O-CG 3.47Å; M625-M629 PolarHBondContact O-N 3.46Å; M625-M629 HydrophobicContact SD-CE 4.45Å; A627-M629 PolarHBondContact O-N 3.17Å; M629-D631 PolarHBondContact O-N 3.43Å; M629-V632 PolarHBondContact O-N 3.47Å; M629-Y633 WeakPolarHBondContact O-CD2 3.39Å; M629-Y633 PolarHBondContact O-N 2.92Å
630S77.2Confident73.3Confident63 Ų6397.5 Ų97.544%0.44150%0.502SS..Hα-helixtrans-63-39.5178.3-168.60000112.3I626 A627 A628 Y633 S634I626-S630 VanDerWaalsContact O-CB 3.29Å; I626-S630 WeakPolarHBondContact O-CB 3.2Å; I626-S630 PolarHBondContact O-N 3.22Å; A627-S630 CarbonylContact O-C 3.56Å; A627-S630 WeakPolarHBondContact O-CA 3.4Å; A627-S630 WeakPolarHBondContact O-CB 3.11Å; A627-S630 PolarHBondContact O-N 2.87Å; A628-S630 VanDerWaalsContact C-N 3.33Å; A628-S630 PolarHBondContact O-N 2.89Å; S630-Y633 PolarHBondContact O-N 3.48Å; S630-S634 VanDerWaalsContact O-CB 3.26Å; S630-S634 WeakPolarHBondContact O-CB 3.35Å; S630-S634 PolarHBondContact O-N 3.41Å; S630-S634 PolarHBondContact O-OG 3.18Å
631D79.1Confident73.2Confident52 Ų5293 Ų9328%0.27849%0.488SS..Hα-helixtrans-76.6-28.8178.3-71.6-29.3000112.9A627 A628 M629 N635 K636 L637A627-D631 PolarHBondContact O-N 3.04Å; A628-D631 PolarHBondContact O-N 3.07Å; M629-D631 PolarHBondContact O-N 3.43Å; D631-N635 PolarHBondContact O-N 3.16Å; D631-K636 HydrophobicContact CB-CB 4.32Å; D631-K636 HydrophobicContact CB-CD 4.2Å; D631-K636 PolarHBondContact O-N 3.08Å; D631-K636 WeakPolarHBondContact OD1-CD 3.48Å; D631-K636 WeakPolarHBondContact OD1-CE 3.49Å; D631-K636 IonicContact OD1-NZ 2.69Å; D631-K636 PolarHBondContact OD1-NZ 3.44Å; D631-L637 HydrophobicContact CB-CB 4.09Å; D631-L637 PolarHBondContact O-N 2.9Å
632V76.9Confident73.2Confident39 Ų3996 Ų9624%0.23649%0.486CS..Hα-helixtrans-62-54165.1166.10000110.8A628 M629 S634 N635 L637 W639A628-V632 VanDerWaalsContact O-CG2 3.31Å; A628-V632 WeakPolarHBondContact O-CG2 3.39Å; A628-V632 PolarHBondContact O-N 3.33Å; M629-V632 PolarHBondContact O-N 3.47Å; V632-S634 PolarHBondContact O-N 3.07Å; V632-N635 PolarHBondContact O-N 2.89Å; V632-L637 HydrophobicContact CG2-CB 3.95Å; V632-L637 HydrophobicContact CG2-CD2 4.04Å; V632-L637 HydrophobicContact CG2-CG 4.46Å; V632-W639 VanDerWaalsContact CG1-NE1 3.29Å; V632-W639 HydrophobicContact CG2-CZ2 4.48Å; V632-W639 VanDerWaalsContact CG2-NE1 3.35Å
633Y76.6Confident73.1Confident196 Ų196101.2 Ų101.277%0.76951%0.508SS*.Hα-helixtrans-63.2-28.1178-78.3-64.8000112.6M629 S630 N635M629-Y633 WeakPolarHBondContact O-CD2 3.39Å; M629-Y633 PolarHBondContact O-N 2.92Å; S630-Y633 PolarHBondContact O-N 3.48Å; Y633-N635 PolarHBondContact O-N 3.03Å
634S80Confident73Confident61 Ų61102.1 Ų102.143%0.42751%0.507SS..THydrogen-bonded Turntrans-78.74.8173.8-56.30000113.9S630 V632 K636S630-S634 VanDerWaalsContact O-CB 3.26Å; S630-S634 WeakPolarHBondContact O-CB 3.35Å; S630-S634 PolarHBondContact O-N 3.41Å; S630-S634 PolarHBondContact O-OG 3.18Å; V632-S634 PolarHBondContact O-N 3.07Å; S634-K636 PolarHBondContact O-N 3.19Å
635N71.4Confident72.9Confident107 Ų10799.1 Ų99.157%0.57250%0.499SS*.THydrogen-bonded Turntrans588.6-174.9-101.7-47000115.6D631 V632 Y633D631-N635 PolarHBondContact O-N 3.16Å; V632-N635 PolarHBondContact O-N 2.89Å; Y633-N635 PolarHBondContact O-N 3.03Å
636K74.7Confident72.8Confident144 Ų14499.8 Ų99.863%0.62652%0.516SS*.SBendtrans-72.3-41.6174.3-59.2168.1-172.8170.90110.4D631 S634D631-K636 HydrophobicContact CB-CB 4.32Å; D631-K636 HydrophobicContact CB-CD 4.2Å; D631-K636 PolarHBondContact O-N 3.08Å; D631-K636 WeakPolarHBondContact OD1-CD 3.48Å; D631-K636 WeakPolarHBondContact OD1-CE 3.49Å; D631-K636 IonicContact OD1-NZ 2.69Å; D631-K636 PolarHBondContact OD1-NZ 3.44Å; S634-K636 PolarHBondContact O-N 3.19Å
637L66.7Low72.9Confident43 Ų43100 Ų10023%0.22553%0.527CS..  trans-102.189.9-178.2-146.373.5000110D631 V632 E642D631-L637 HydrophobicContact CB-CB 4.09Å; D631-L637 PolarHBondContact O-N 2.9Å; V632-L637 HydrophobicContact CG2-CB 3.95Å; V632-L637 HydrophobicContact CG2-CD2 4.04Å; V632-L637 HydrophobicContact CG2-CG 4.46Å; L637-E642 HydrophobicContact CD1-CG 4.14Å; L637-E642 WeakPolarHBondContact CD2-OE2 3.3Å; L637-E642 HydrophobicContact CG-CG 4.25Å
638K70Confident72.9Confident106 Ų106103.6 Ų103.646%0.46154%0.537SS..  trans-82.7121.3168.5-64.7-175.5-179.7-178.90107.9Q640 N641K638-Q640 PolarHBondContact O-N 2.95Å; K638-Q640 VanDerWaalsContact O-N 3.08Å; K638-N641 VanDerWaalsContact O-CB 3.31Å; K638-N641 WeakPolarHBondContact O-CB 3.46Å; K638-N641 PolarHBondContact O-N 3.21Å
639W65Low73Confident165 Ų165106.2 Ų106.263%0.62554%0.544SS*.Hα-helixtrans-55.2-32.4-177.4-63.757.7000111.9V632 N641 E642 F643V632-W639 VanDerWaalsContact CG1-NE1 3.29Å; V632-W639 HydrophobicContact CG2-CZ2 4.48Å; V632-W639 VanDerWaalsContact CG2-NE1 3.35Å; W639-N641 PolarHBondContact O-N 3.15Å; W639-E642 PolarHBondContact O-N 3.14Å; W639-F643 HydrophobicContact CB-CD2 4.45Å; W639-F643 AromaticContact CE3-CE2 3.91Å; W639-F643 HydrophobicContact CE3-CE2 3.91Å; W639-F643 WeakPolarHBondContact O-CD2 3.49Å; W639-F643 PolarHBondContact O-N 3.29Å; W639-F643 VanDerWaalsContact O-N 3.14Å
640Q66.7Low73Confident173 Ų173107.9 Ų107.981%0.80856%0.56SS**Hα-helixtrans-62.6-15.3174.3-64.9172.3-15.400114.6K638K638-Q640 PolarHBondContact O-N 2.95Å; K638-Q640 VanDerWaalsContact O-N 3.08Å
641N69.8Low72.9Confident125 Ų125111.9 Ų111.967%0.66857%0.57SS**Hα-helixtrans-96.8-25.4178.9-61.73.1000112.7K638 W639K638-N641 VanDerWaalsContact O-CB 3.31Å; K638-N641 WeakPolarHBondContact O-CB 3.46Å; K638-N641 PolarHBondContact O-N 3.21Å; W639-N641 PolarHBondContact O-N 3.15Å
642E70Confident72.6Confident120 Ų120113.6 Ų113.656%0.56158%0.579SS**Hα-helixtrans-90.6-41.1179.3-67.5-159.5124.700112.5L637 W639L637-E642 HydrophobicContact CD1-CG 4.14Å; L637-E642 WeakPolarHBondContact CD2-OE2 3.3Å; L637-E642 HydrophobicContact CG-CG 4.25Å; W639-E642 PolarHBondContact O-N 3.14Å
643F70.3Confident72.4Confident132 Ų132115.6 Ų115.658%0.57959%0.588SS**SBendtrans-88.1123.6-179-66-75.4000111W639W639-F643 HydrophobicContact CB-CD2 4.45Å; W639-F643 AromaticContact CE3-CE2 3.91Å; W639-F643 HydrophobicContact CE3-CE2 3.91Å; W639-F643 WeakPolarHBondContact O-CD2 3.49Å; W639-F643 PolarHBondContact O-N 3.29Å; W639-F643 VanDerWaalsContact O-N 3.14Å
644L73.5Confident72.2Confident116 Ų116108.8 Ų108.861%0.60757%0.568SS**PPolyproline II helixtrans-54.1134.3166.9-75.3171.9000109.7A646 M648 I649L644-A646 PolarHBondContact O-N 3.45Å; L644-M648 HydrophobicContact CD2-SD 4.32Å; L644-I649 HydrophobicContact CB-CG1 4.12Å
645P72.6Confident71.9Confident69 Ų69110 Ų11045%0.44857%0.57SS.*PPolyproline II helixtrans-53.3140.9172.3-26.334.6000110.7S647 M648 I649P645-S647 PolarHBondContact O-N 2.7Å; P645-M648 HydrophobicContact CG-SD 4.42Å; P645-M648 WeakPolarHBondContact O-CA 3.34Å; P645-M648 WeakPolarHBondContact O-CB 3.32Å; P645-M648 PolarHBondContact O-N 2.91Å; P645-I649 PolarHBondContact O-N 3.18Å
646A71.2Confident72.1Confident88 Ų88108.7 Ų108.773%0.72757%0.566SS**THydrogen-bonded Turntrans-58.2-19.8-178.200000113.9L644 M648L644-A646 PolarHBondContact O-N 3.45Å; A646-M648 VanDerWaalsContact C-N 3.34Å
647S76.6Confident72.2Confident109 Ų109106.2 Ų106.276%0.76256%0.555SS**THydrogen-bonded Turntrans-72.7-19.1171.449.60000114.8P645P645-S647 PolarHBondContact O-N 2.7Å
648M77Confident72.4Confident126 Ų126113 Ų11362%0.62158%0.578SS**THydrogen-bonded Turntrans-95.8-13.9173.4-67.9-175.7160.400112.9L644 P645 A646 T650L644-M648 HydrophobicContact CD2-SD 4.32Å; P645-M648 HydrophobicContact CG-SD 4.42Å; P645-M648 WeakPolarHBondContact O-CA 3.34Å; P645-M648 WeakPolarHBondContact O-CB 3.32Å; P645-M648 PolarHBondContact O-N 2.91Å; A646-M648 VanDerWaalsContact C-N 3.34Å; M648-T650 VanDerWaalsContact C-N 3.26Å; M648-T650 PolarHBondContact O-N 2.95Å
649I74.4Confident72.7Confident98 Ų98115.4 Ų115.450%0.50360%0.596SS.*  trans-80.376.8175.7-53.5179000108.9L644 P645 F651L644-I649 HydrophobicContact CB-CG1 4.12Å; P645-I649 PolarHBondContact O-N 3.18Å; I649-F651 PolarHBondContact O-N 2.88Å
650T73.9Confident72.9Confident133 Ų133114 Ų11482%0.81659%0.591SS**  trans-77.9114.3172.956.20000110.6M648M648-T650 VanDerWaalsContact C-N 3.26Å; M648-T650 PolarHBondContact O-N 2.95Å
651F74.3Confident73.3Confident148 Ų148115.8 Ų115.865%0.64960%0.6SS**  trans-110.2131.6167.556.9-90.9000109.9I649 V656I649-F651 PolarHBondContact O-N 2.88Å; F651-V656 HydrophobicContact CB-CG2 3.82Å; F651-V656 HydrophobicContact CD2-CG2 3.85Å; F651-V656 HydrophobicContact CG-CG2 4.14Å
652D74.1Confident73.3Confident87 Ų87113.8 Ų113.847%0.46558%0.583SS.*  trans-76135.5163.1-166.9-22.1000108.2S654 D655 V656D652-S654 PolarHBondContact O-N 3.39Å; D652-S654 VanDerWaalsContact OD1-CB 3.31Å; D652-S654 WeakPolarHBondContact OD1-CB 3.43Å; D652-S654 PolarHBondContact OD1-N 2.97Å; D652-S654 PolarHBondContact OD1-OG 3.07Å; D652-S654 PolarHBondContact OD2-OG 3.45Å; D652-D655 HydrophobicContact CB-CB 4.36Å; D652-D655 PolarHBondContact O-N 3.1Å; D652-V656 WeakPolarHBondContact O-CG2 3.5Å; D652-V656 PolarHBondContact O-N 3.27Å
653I71.8Confident73.2Confident82 Ų82113.8 Ų113.842%0.42159%0.592SS.*Hα-helixtrans-56.9-33.8170.8-56.5177.4000109.4D655 F657 Y662I653-D655 VanDerWaalsContact C-N 3.33Å; I653-D655 PolarHBondContact O-N 2.89Å; I653-F657 HydrophobicContact CG2-CD2 3.78Å; I653-F657 HydrophobicContact CG2-CE2 4.32Å; I653-F657 WeakPolarHBondContact O-CB 3.5Å; I653-F657 WeakPolarHBondContact O-CD2 3.44Å; I653-F657 PolarHBondContact O-N 3.42Å; I653-Y662 HydrophobicContact CG2-CD2 4.26Å; I653-Y662 HydrophobicContact CG2-CE2 3.6Å
654S71.9Confident73Confident52 Ų52113.6 Ų113.636%0.36460%0.595SS.*Hα-helixtrans-66.2-28.5176.9-43.20000113.9D652 R658 Y662D652-S654 PolarHBondContact O-N 3.39Å; D652-S654 VanDerWaalsContact OD1-CB 3.31Å; D652-S654 WeakPolarHBondContact OD1-CB 3.43Å; D652-S654 PolarHBondContact OD1-N 2.97Å; D652-S654 PolarHBondContact OD1-OG 3.07Å; D652-S654 PolarHBondContact OD2-OG 3.45Å; S654-R658 WeakPolarHBondContact O-CA 3.15Å; S654-R658 VanDerWaalsContact O-CB 3.28Å; S654-R658 WeakPolarHBondContact O-CB 3.36Å; S654-R658 PolarHBondContact O-N 3.14Å; S654-Y662 WeakPolarHBondContact CA-OH 3.41Å; S654-Y662 PolarHBondContact N-OH 3.04Å; S654-Y662 PolarHBondContact OG-OH 3.18Å
655D74.6Confident72.6Confident87 Ų87117.4 Ų117.447%0.46560%0.602SS.*Hα-helixtrans-89-38.1176-76.6-36000112D652 I653 F657 R658D652-D655 HydrophobicContact CB-CB 4.36Å; D652-D655 PolarHBondContact O-N 3.1Å; I653-D655 VanDerWaalsContact C-N 3.33Å; I653-D655 PolarHBondContact O-N 2.89Å; D655-F657 VanDerWaalsContact C-N 3.32Å; D655-F657 PolarHBondContact O-N 3.35Å; D655-R658 WeakPolarHBondContact O-CB 3.33Å; D655-R658 IonicContact OD1-CZ 2.7Å; D655-R658 IonicContact OD1-NE 3.81Å; D655-R658 PolarHBondContact OD1-NE 3.3Å; D655-R658 IonicContact OD1-NH2 2.66Å; D655-R658 PolarHBondContact OD1-NH2 2.91Å
656V74.9Confident72.3Confident79 Ų79119.4 Ų119.448%0.47962%0.615SS.*Hα-helixtrans-63.6-39174.4176.80000111.6F651 D652F651-V656 HydrophobicContact CB-CG2 3.82Å; F651-V656 HydrophobicContact CD2-CG2 3.85Å; F651-V656 HydrophobicContact CG-CG2 4.14Å; D652-V656 WeakPolarHBondContact O-CG2 3.5Å; D652-V656 PolarHBondContact O-N 3.27Å
657F77.5Confident71.6Confident93 Ų93127.3 Ų127.341%0.40863%0.626SS.*THydrogen-bonded Turntrans-108.724.7-177.7-63.3-77.4000113.1I653 D655 N659 Y660 Y662I653-F657 HydrophobicContact CG2-CD2 3.78Å; I653-F657 HydrophobicContact CG2-CE2 4.32Å; I653-F657 WeakPolarHBondContact O-CB 3.5Å; I653-F657 WeakPolarHBondContact O-CD2 3.44Å; I653-F657 PolarHBondContact O-N 3.42Å; D655-F657 VanDerWaalsContact C-N 3.32Å; D655-F657 PolarHBondContact O-N 3.35Å; F657-N659 PolarHBondContact O-N 3.17Å; F657-Y660 HydrophobicContact CD1-CD2 4.1Å; F657-Y660 HydrophobicContact CD1-CG 4.41Å; F657-Y660 PolarHBondContact O-N 2.94Å; F657-Y662 HydrophobicContact CB-CD1 3.48Å; F657-Y662 VanDerWaalsContact CB-CD1 3.48Å; F657-Y662 HydrophobicContact CB-CE1 3.65Å; F657-Y662 HydrophobicContact CB-CG 4.2Å; F657-Y662 HydrophobicContact CG-CD1 4.39Å
658R70.5Confident70.5Confident184 Ų184127.2 Ų127.269%0.69462%0.62SS**THydrogen-bonded Turntrans-54.8-29.5-172.6-159.7178.3-108.2-115.44.5114.8S654 D655S654-R658 WeakPolarHBondContact O-CA 3.15Å; S654-R658 VanDerWaalsContact O-CB 3.28Å; S654-R658 WeakPolarHBondContact O-CB 3.36Å; S654-R658 PolarHBondContact O-N 3.14Å; D655-R658 WeakPolarHBondContact O-CB 3.33Å; D655-R658 IonicContact OD1-CZ 2.7Å; D655-R658 IonicContact OD1-NE 3.81Å; D655-R658 PolarHBondContact OD1-NE 3.3Å; D655-R658 IonicContact OD1-NH2 2.66Å; D655-R658 PolarHBondContact OD1-NH2 2.91Å
659N77.3Confident69.1Low157 Ų157126.3 Ų126.384%0.8463%0.627SS**THydrogen-bonded Turntrans-102.62.7179.2-63.9-10.6000113.9F657F657-N659 PolarHBondContact O-N 3.17Å
660Y69Low67.9Low135 Ų135127 Ų12753%0.52964%0.641SS.*SBendtrans-109.8137.5-177.6-71.2-83.7000111.5F657 Y662F657-Y660 HydrophobicContact CD1-CD2 4.1Å; F657-Y660 HydrophobicContact CD1-CG 4.41Å; F657-Y660 PolarHBondContact O-N 2.94Å; Y660-Y662 WeakPolarHBondContact O-CD1 3.42Å; Y660-Y662 PolarHBondContact O-N 2.61Å
661Q73.9Confident66.6Low211 Ų211124 Ų12499%0.98664%0.635SS**  trans-78.286.2168.9-68.9-167.512.100110.7
662Y70.1Confident65.4Low83 Ų83123.2 Ų123.233%0.32564%0.637SS.*  trans-98.2148.1172.472.3-78.9000111.3I653 S654 F657 Y660 I664I653-Y662 HydrophobicContact CG2-CD2 4.26Å; I653-Y662 HydrophobicContact CG2-CE2 3.6Å; S654-Y662 WeakPolarHBondContact CA-OH 3.41Å; S654-Y662 PolarHBondContact N-OH 3.04Å; S654-Y662 PolarHBondContact OG-OH 3.18Å; F657-Y662 HydrophobicContact CB-CD1 3.48Å; F657-Y662 VanDerWaalsContact CB-CD1 3.48Å; F657-Y662 HydrophobicContact CB-CE1 3.65Å; F657-Y662 HydrophobicContact CB-CG 4.2Å; F657-Y662 HydrophobicContact CG-CD1 4.39Å; Y660-Y662 WeakPolarHBondContact O-CD1 3.42Å; Y660-Y662 PolarHBondContact O-N 2.61Å; Y662-I664 HydrophobicContact CD2-CG1 3.9Å; Y662-I664 HydrophobicContact CE2-CD1 3.86Å; Y662-I664 HydrophobicContact CE2-CG1 3.49Å; Y662-I664 VanDerWaalsContact CE2-CG1 3.49Å
663T67.9Low64Low120 Ų120130.4 Ų130.474%0.73666%0.657SS**  trans-115.4114.9172.445.40000110.2R665T663-R665 PolarHBondContact O-N 3.22Å
664I65.8Low62.7Low128 Ų128133.9 Ų133.966%0.65668%0.677SS**  trans-69.196.6176.2-53.5178.1000108.8Y662Y662-I664 HydrophobicContact CD2-CG1 3.9Å; Y662-I664 HydrophobicContact CE2-CD1 3.86Å; Y662-I664 HydrophobicContact CE2-CG1 3.49Å; Y662-I664 VanDerWaalsContact CE2-CG1 3.49Å
665R64.8Low61.2Low196 Ų196136.6 Ų136.674%0.7469%0.691SS**  trans-76.6127.1168.6-67.5-171.2176.6-145.7-1.1109.2T663 R667T663-R665 PolarHBondContact O-N 3.22Å; R665-R667 PolarHBondContact O-N 3.19Å
666P66.6Low59.6Low111 Ų111138.7 Ų138.772%0.72171%0.71SS**  trans-61.9133.6175.725.8-33.5000109.9T668P666-T668 PolarHBondContact O-N 3.15Å
667R57.1Low58Low255 Ų255138.9 Ų138.996%0.96273%0.727SS**  trans-68.388.3179.6-79.5-180165.2145.4-4.5111.1R665R665-R667 PolarHBondContact O-N 3.19Å
668T52.9Low56.2Low106 Ų106139 Ų13965%0.6575%0.745SS**  trans-65154.7158.654.20000109.8P666 S670P666-T668 PolarHBondContact O-N 3.15Å; T668-S670 PolarHBondContact O-N 3.28Å
669S48.2Very low54.7Low107 Ų107134.8 Ų134.875%0.74875%0.745SS**SBendtrans-66.2116.7-176.447.40000111.9G671S669-G671 PolarHBondContact O-N 3.38Å
670S49.4Very low53Low114 Ų114137.6 Ų137.680%0.79775%0.749SS**SBendtrans19.793.8154.554.90000116.6T668T668-S670 PolarHBondContact O-N 3.28Å
671G46.1Very low51.6Low68 Ų68136.2 Ų136.270%0.70176%0.759SS**  trans178.1-26.5170.900000116.6S669S669-G671 PolarHBondContact O-N 3.38Å
672I48.5Very low49.9Very low133 Ų133131.8 Ų131.868%0.68275%0.751SS**  trans-111.752.2-165.5-35.9177.6000112.5
673W45.8Very low48.3Very low237 Ų237134.6 Ų134.690%0.89878%0.777SS**  trans-99.2-4.8177.9-80.582.2000114.4
674N43.3Very low46.8Very low156 Ų156131.7 Ų131.783%0.83477%0.772SS**SBendtrans-122.451.7-170.6-73.4-16.2000114
675T41.9Very low45.7Very low108 Ų108138 Ų13866%0.66379%0.787SS**  trans-148.6102.1166.814.60000112.3
676P41.4Very low44.6Very low132 Ų132132.6 Ų132.686%0.85778%0.779SS**SBendtrans-71.7132.6161.930.3-31.8000109.8
677G40.2Very low43.6Very low82 Ų82133.8 Ų133.885%0.84578%0.778SS**  trans89.575.2170.100000116.7
678A39Very low42.9Very low95 Ų95129.9 Ų129.979%0.78578%0.775SS**  trans-151.266.3166.600000112.2
679S38.7Very low42.6Very low97 Ų97133.5 Ų133.568%0.67878%0.782SS**  trans-155.355.8-18064.90000115.5
680K41.7Very low42.4Very low216 Ų216137.4 Ų137.494%0.93979%0.786SS**SBendtrans-138.842.3166-76.1-161176.7-178.10114.6
681S40.8Very low42.3Very low105 Ų105139.2 Ų139.273%0.73479%0.785SS**  trans-162.1132.2155.646.90000106.9
682S37.4Very low41.8Very low118 Ų118143.5 Ų143.583%0.82579%0.791SS**  65.455.255.4-156.20000114
683T37.9Very low41.3Very low142 Ų142148.2 Ų148.287%0.87182%0.816SS**  trans178.9118.3139.2-77.20000108.5
684G36.3Very low41Very low60 Ų60143.8 Ų143.862%0.61981%0.812SS**  trans-164.1-22.4-176.900000116.3S686G684-S686 VanDerWaalsContact C-N 3.26Å; G684-S686 PolarHBondContact O-N 2.9Å
685R41.5Very low40.9Very low261 Ų261143.2 Ų143.299%0.98581%0.811SS**THydrogen-bonded Turntrans-7371.9171.3-70-176.6174.9-179.1-1.5111.4
686S42.6Very low40.9Very low81 Ų81145.1 Ų145.157%0.56682%0.819SS**THydrogen-bonded Turntrans-157.2-41.2173.9-169.70000115.3G684 L688 K689G684-S686 VanDerWaalsContact C-N 3.26Å; G684-S686 PolarHBondContact O-N 2.9Å; S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.37Å; S686-L688 VanDerWaalsContact O-N 3.16Å; S686-K689 PolarHBondContact O-N 3.19Å
687I44.1Very low40.8Very low137 Ų137145.9 Ų145.970%0.70382%0.817SS**G310 helixtrans-66.8-28.2-160.8-61.1176.4000113.8K689I687-K689 PolarHBondContact O-N 3.21Å
688L42.8Very low40.9Very low172 Ų172149.9 Ų149.990%0.90182%0.815SS**G310 helixtrans-76.37178.9-72.4172000115.4S686S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.37Å; S686-L688 VanDerWaalsContact O-N 3.16Å
689K46.1Very low41Very low183 Ų183153.5 Ų153.580%0.79682%0.817SS**G310 helixtrans-111.111173-91-163.4172.6-168.40115.1S686 I687S686-K689 PolarHBondContact O-N 3.19Å; I687-K689 PolarHBondContact O-N 3.21Å
690K44.8Very low41.1Very low188 Ų188157.6 Ų157.682%0.81783%0.827SS**SBendtrans-114.119.3177.9-81.2-165169.7-169.90115.3
691I46.8Very low41.1Very low153 Ų153153.1 Ų153.179%0.78582%0.819SS**SBendtrans-129.924.2173.3-43.1-179.8000109.6
692L36Very low41.1Very low158 Ų158157.1 Ų157.183%0.82783%0.826SS**  trans-154.555.8-178.7-151.989.5000111.6
693L37.3Very low41.5Very low232 Ų232160.6 Ų160.6100%1.21583%0.826SS**  trans-161.30169.9-113.1162.5000108.4

Retrieved 693 of 693 residues in 653.6 ms (Link to these results)