A0A5K4F3J1_SCHMA Loading...

RGS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3J1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 925 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
1M35.7Very low56.3Low63 Ų6363.6 Ų63.631%0.3134%0.343SS..  0-10.40-113.4-66.4-153.900112.4L3 L4 A5 M85 Y204 R208 M211M1-L3 PolarHBondContact O-N 3.33Å; M1-L4 PolarHBondContact O-N 2.96Å; M1-A5 HydrophobicContact CB-CB 4.37Å; M1-A5 PolarHBondContact O-N 2.96Å; M1-M85 HydrophobicContact CE-SD 3.64Å; M1-M85 HydrophobicContact SD-SD 3.96Å; M1-Y204 PolarHBondContact N-O 3.04Å; M1-R208 HydrophobicContact CG-CG 4.41Å; M1-M211 HydrophobicContact CB-CE 3.94Å; M1-M211 HydrophobicContact CB-SD 4.11Å; M1-M211 HydrophobicContact CG-CE 4.41Å; M1-M211 HydrophobicContact CG-SD 3.92Å
2D36.2Very low58.8Low26 Ų2667.4 Ų67.414%0.13936%0.357CS..THydrogen-bonded Turntrans-91.516.6-149.9-8.7-22000112.6A5 N6 Y204 T207D2-A5 HydrophobicContact CB-CB 4.47Å; D2-N6 PolarHBondContact O-ND2 3.08Å; D2-Y204 HydrophobicContact CB-CD1 3.64Å; D2-Y204 HydrophobicContact CB-CE1 3.84Å; D2-T207 VanDerWaalsContact OD1-CB 3.25Å; D2-T207 WeakPolarHBondContact OD1-CB 3.18Å; D2-T207 PolarHBondContact OD1-OG1 3.1Å; D2-T207 PolarHBondContact OD2-OG1 3.17Å; D2-T207 VanDerWaalsContact OD2-OG1 3.11Å
3L44.8Very low60.9Low78 Ų7862.8 Ų62.841%0.40833%0.333SS..THydrogen-bonded Turntrans-89.1-6.2159.4-107171.2000112.9M1 F7M1-L3 PolarHBondContact O-N 3.33Å; L3-F7 WeakPolarHBondContact O-CD2 3.3Å; L3-F7 WeakPolarHBondContact O-CE2 3.49Å
4L47.9Very low62.9Low20 Ų2058.3 Ų58.311%0.10531%0.309CS..THydrogen-bonded Turntrans-128.6-29.7164.1-74.4173.9000111.7M1 N6 F7 F20 M85 Y90M1-L4 PolarHBondContact O-N 2.96Å; L4-N6 PolarHBondContact O-N 3.05Å; L4-F7 PolarHBondContact O-N 3.45Å; L4-F7 VanDerWaalsContact O-O 3.09Å; L4-F20 HydrophobicContact CD1-CE2 4.44Å; L4-F20 HydrophobicContact CD2-CE2 4.11Å; L4-M85 HydrophobicContact CB-CE 4.38Å; L4-M85 HydrophobicContact CD1-CE 3.73Å; L4-M85 HydrophobicContact CD1-CG 3.98Å; L4-M85 HydrophobicContact CD1-SD 3.7Å; L4-Y90 HydrophobicContact CD1-CE2 3.93Å
5A46.6Very low64.4Low55 Ų5559.9 Ų59.946%0.45532%0.317SS..THydrogen-bonded Turntrans-70.14.8172.700000115.3M1 D2 M211M1-A5 HydrophobicContact CB-CB 4.37Å; M1-A5 PolarHBondContact O-N 2.96Å; D2-A5 HydrophobicContact CB-CB 4.47Å; A5-M211 HydrophobicContact CB-CE 4.29Å
6N46.2Very low65.7Low114 Ų11460.3 Ų60.361%0.6133%0.326SS*.THydrogen-bonded Turntrans-104.6-8.8165.3-94.1-22000112.9D2 L4D2-N6 PolarHBondContact O-ND2 3.08Å; L4-N6 PolarHBondContact O-N 3.05Å
7F53.8Low67Low77 Ų7759.4 Ų59.434%0.33832%0.321SS..  trans-109.2101.3-178.1-64.8-94.2000107.8L3 L4 D9L3-F7 WeakPolarHBondContact O-CD2 3.3Å; L3-F7 WeakPolarHBondContact O-CE2 3.49Å; L4-F7 PolarHBondContact O-N 3.45Å; L4-F7 VanDerWaalsContact O-O 3.09Å; F7-D9 PolarHBondContact O-N 3.45Å; F7-D9 VanDerWaalsContact O-N 3.15Å
8N55.3Low68.1Low162 Ų16261.5 Ų61.587%0.86633%0.332SS*.  trans-78.611.5-176.8-61.5-54.4000113.2
9D78.4Confident69.1Low68 Ų6859.5 Ų59.536%0.36432%0.321SS..  trans-156.2116.2-163.6-172.9-15.4000110.3F7 E11 E12 C13F7-D9 PolarHBondContact O-N 3.45Å; F7-D9 VanDerWaalsContact O-N 3.15Å; D9-E11 VanDerWaalsContact C-N 3.31Å; D9-E11 WeakPolarHBondContact OD1-CA 3.32Å; D9-E11 WeakPolarHBondContact OD1-CB 3.43Å; D9-E11 PolarHBondContact OD1-N 3.39Å; D9-E12 HydrophobicContact CB-CB 4.06Å; D9-E12 PolarHBondContact O-N 3.2Å; D9-E12 PolarHBondContact OD1-N 3.29Å; D9-C13 PolarHBondContact O-N 3.31Å
10L87.5Confident70.2Confident6 Ų656.7 Ų56.73%0.03131%0.306CS..Hα-helixtrans-69.2-28.1174.2177.162.1000112.6C13 L14 F20 F24 I73 A76 E77 L81L10-C13 PolarHBondContact O-N 3.49Å; L10-L14 HydrophobicContact CD1-CD1 4.21Å; L10-L14 HydrophobicContact CD1-CG 4.22Å; L10-L14 HydrophobicContact CG-CD1 3.93Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.01Å; L10-F20 HydrophobicContact CD1-CE1 3.71Å; L10-F20 HydrophobicContact CD1-CZ 3.79Å; L10-F24 HydrophobicContact CD2-CE1 4.5Å; L10-F24 HydrophobicContact CD2-CZ 4.21Å; L10-I73 HydrophobicContact CB-CG2 4.47Å; L10-A76 HydrophobicContact CD2-CB 3.84Å; L10-E77 HydrophobicContact CB-CG 3.5Å; L10-E77 WeakPolarHBondContact CB-OE1 3.47Å; L10-E77 HydrophobicContact CD2-CG 3.7Å; L10-E77 HydrophobicContact CG-CG 4.25Å; L10-E77 PolarHBondContact N-OE1 3.43Å; L10-L81 HydrophobicContact CD1-CD1 4.17Å; L10-L81 HydrophobicContact CD1-CD2 4.32Å
11E86.9Confident71.2Confident31 Ų3155.6 Ų55.615%0.14530%0.299CS..Hα-helixtrans-65.8-41.2175.1-170.5158.8-141.100110.6D9 C13 L14 I15 R69 I73D9-E11 VanDerWaalsContact C-N 3.31Å; D9-E11 WeakPolarHBondContact OD1-CA 3.32Å; D9-E11 WeakPolarHBondContact OD1-CB 3.43Å; D9-E11 PolarHBondContact OD1-N 3.39Å; E11-C13 PolarHBondContact O-N 3.21Å; E11-L14 PolarHBondContact O-N 3.01Å; E11-I15 HydrophobicContact CG-CD1 3.57Å; E11-I15 HydrophobicContact CG-CG1 4.24Å; E11-I15 VanDerWaalsContact O-CB 3.32Å; E11-I15 WeakPolarHBondContact O-CB 3.28Å; E11-I15 VanDerWaalsContact O-CG1 3.28Å; E11-I15 WeakPolarHBondContact O-CG1 3.11Å; E11-I15 PolarHBondContact O-N 3.24Å; E11-R69 IonicContact OE1-CZ 2.65Å; E11-R69 IonicContact OE1-NE 3.38Å; E11-R69 PolarHBondContact OE1-NE 3.04Å; E11-R69 IonicContact OE1-NH2 3.5Å; E11-R69 PolarHBondContact OE1-NH2 3.39Å; E11-R69 IonicContact OE2-CZ 2.81Å; E11-R69 IonicContact OE2-NE 3.03Å; E11-R69 PolarHBondContact OE2-NE 3.42Å; E11-R69 IonicContact OE2-NH2 2.6Å; E11-R69 PolarHBondContact OE2-NH2 3.22Å; E11-I73 HydrophobicContact CB-CD1 4.05Å; E11-I73 HydrophobicContact CB-CG2 4.45Å; E11-I73 VanDerWaalsContact CD-CD1 3.44Å; E11-I73 HydrophobicContact CG-CD1 4.03Å; E11-I73 WeakPolarHBondContact OE1-CD1 3.19Å
12E86.2Confident73.8Confident109 Ų10955.6 Ų55.651%0.50930%0.3SS..Hα-helixtrans-61.3-42.7174-173.9170.6-146.100111.6D9 I15 S16D9-E12 HydrophobicContact CB-CB 4.06Å; D9-E12 PolarHBondContact O-N 3.2Å; D9-E12 PolarHBondContact OD1-N 3.29Å; E12-I15 PolarHBondContact O-N 2.96Å; E12-S16 WeakPolarHBondContact O-CB 3.34Å; E12-S16 PolarHBondContact O-N 3.02Å; E12-S16 PolarHBondContact O-OG 3.09Å
13C85.8Confident76.4Confident7 Ų754.4 Ų54.45%0.04729%0.293CS..Hα-helixtrans-61.4-46.9175.3-70.40000112.5D9 L10 E11 I15 S16 D17 F20D9-C13 PolarHBondContact O-N 3.31Å; L10-C13 PolarHBondContact O-N 3.49Å; E11-C13 PolarHBondContact O-N 3.21Å; C13-I15 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.21Å; C13-S16 PolarHBondContact O-N 3.36Å; C13-D17 PolarHBondContact O-N 2.8Å; C13-D17 VanDerWaalsContact O-N 3.08Å; C13-F20 HydrophobicContact CB-CD1 3.98Å; C13-F20 HydrophobicContact CB-CE1 3.86Å; C13-F20 HydrophobicContact CB-CG 4.45Å; C13-F20 HydrophobicContact CB-CZ 4.2Å
14L89.1Confident78.7Confident0 Ų050.7 Ų50.70%027%0.274CS..Hα-helixtrans-68.9-25.1180-69.1169.1000113.3L10 E11 F20 F24 Y39 R41L10-L14 HydrophobicContact CD1-CD1 4.21Å; L10-L14 HydrophobicContact CD1-CG 4.22Å; L10-L14 HydrophobicContact CG-CD1 3.93Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.01Å; E11-L14 PolarHBondContact O-N 3.01Å; L14-F20 HydrophobicContact CD2-CD1 3.86Å; L14-F20 HydrophobicContact CD2-CE1 3.8Å; L14-F20 HydrophobicContact CG-CD1 4.38Å; L14-F20 HydrophobicContact CG-CE1 4.11Å; L14-F24 HydrophobicContact CD1-CD1 4.38Å; L14-F24 HydrophobicContact CD1-CE1 4.31Å; L14-F24 HydrophobicContact CD2-CB 4.21Å; L14-F24 HydrophobicContact CD2-CD1 3.64Å; L14-F24 HydrophobicContact CD2-CE1 4.35Å; L14-F24 HydrophobicContact CD2-CG 4.21Å; L14-Y39 HydrophobicContact CB-CD1 3.98Å; L14-Y39 HydrophobicContact CB-CE1 3.58Å; L14-Y39 HydrophobicContact CD1-CD1 4.15Å; L14-Y39 HydrophobicContact CD1-CD2 4.08Å; L14-Y39 HydrophobicContact CD1-CE1 4.25Å; L14-Y39 HydrophobicContact CD1-CE2 4.17Å; L14-Y39 HydrophobicContact CD1-CG 4.05Å; L14-Y39 HydrophobicContact CD2-CD1 4.29Å; L14-Y39 HydrophobicContact CG-CD1 4.38Å; L14-Y39 HydrophobicContact CG-CE1 4.4Å; L14-R41 WeakPolarHBondContact O-CD 3.42Å
15I86.3Confident80.8Confident82 Ų8250.7 Ų50.742%0.42127%0.274SS..Hα-helixtrans-89.1-28.5176.8-68.3177.8000112.4E11 E12 C13 R41E11-I15 HydrophobicContact CG-CD1 3.57Å; E11-I15 HydrophobicContact CG-CG1 4.24Å; E11-I15 VanDerWaalsContact O-CB 3.32Å; E11-I15 WeakPolarHBondContact O-CB 3.28Å; E11-I15 VanDerWaalsContact O-CG1 3.28Å; E11-I15 WeakPolarHBondContact O-CG1 3.11Å; E11-I15 PolarHBondContact O-N 3.24Å; E12-I15 PolarHBondContact O-N 2.96Å; C13-I15 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.21Å; I15-R41 VanDerWaalsContact O-CZ 3.26Å; I15-R41 PolarHBondContact O-NE 3.42Å; I15-R41 PolarHBondContact O-NH2 3.04Å
16S85.3Confident82.8Confident67 Ų6750.9 Ų50.947%0.46927%0.265SS..Hα-helixtrans-96.2-27.2-174.262.80000115.5E12 C13E12-S16 WeakPolarHBondContact O-CB 3.34Å; E12-S16 PolarHBondContact O-N 3.02Å; E12-S16 PolarHBondContact O-OG 3.09Å; C13-S16 PolarHBondContact O-N 3.36Å
17D87Confident85Confident44 Ų4445.4 Ų45.424%0.23524%0.236CC..  trans-124.495.9-170.2-175.7-17.4000111.9C13 L19 F20 E21 K97C13-D17 PolarHBondContact O-N 2.8Å; C13-D17 VanDerWaalsContact O-N 3.08Å; D17-L19 PolarHBondContact O-N 3.19Å; D17-L19 VanDerWaalsContact O-N 3.17Å; D17-L19 WeakPolarHBondContact OD1-CB 3.04Å; D17-L19 PolarHBondContact OD1-N 3.2Å; D17-F20 HydrophobicContact CB-CB 3.76Å; D17-F20 WeakPolarHBondContact O-CA 3.27Å; D17-F20 WeakPolarHBondContact O-CB 3.28Å; D17-F20 PolarHBondContact O-N 3.29Å; D17-F20 PolarHBondContact OD1-N 2.9Å; D17-E21 PolarHBondContact O-N 3.28Å; D17-K97 WeakPolarHBondContact OD2-CE 3.38Å; D17-K97 IonicContact OD2-NZ 2.74Å; D17-K97 PolarHBondContact OD2-NZ 3.33Å
18D87.1Confident86.8Confident98 Ų9841.8 Ų41.852%0.52422%0.22SC..Hα-helixtrans-53.1-32.4177.7-6249.1000113.2N22 R41D18-N22 WeakPolarHBondContact O-CB 2.93Å; D18-N22 PolarHBondContact O-N 3.25Å; D18-R41 IonicContact OD1-CZ 3.22Å; D18-R41 VanDerWaalsContact OD1-CZ 3.23Å; D18-R41 IonicContact OD1-NH1 3.49Å; D18-R41 PolarHBondContact OD1-NH1 3.45Å; D18-R41 IonicContact OD1-NH2 3.5Å; D18-R41 PolarHBondContact OD1-NH2 3.13Å; D18-R41 IonicContact OD2-CZ 3.48Å; D18-R41 IonicContact OD2-NH1 2.79Å; D18-R41 PolarHBondContact OD2-NH1 3.3Å; D18-R41 IonicContact OD2-NH2 3.22Å
19L87.9Confident88.3Confident23 Ų2335.9 Ų35.912%0.1219%0.191CC..Hα-helixtrans-77.8-38.9178.7-166.972.4000110.6D17 N22 F23 L93 C96 K97 L360 S361D17-L19 PolarHBondContact O-N 3.19Å; D17-L19 VanDerWaalsContact O-N 3.17Å; D17-L19 WeakPolarHBondContact OD1-CB 3.04Å; D17-L19 PolarHBondContact OD1-N 3.2Å; L19-N22 PolarHBondContact O-N 3.41Å; L19-F23 HydrophobicContact CD1-CD2 4.14Å; L19-F23 HydrophobicContact CD1-CE2 3.79Å; L19-F23 HydrophobicContact CG-CD2 4.15Å; L19-F23 HydrophobicContact CG-CE2 4.11Å; L19-F23 VanDerWaalsContact O-CD2 3.3Å; L19-F23 WeakPolarHBondContact O-CD2 3.29Å; L19-F23 PolarHBondContact O-N 2.84Å; L19-L93 HydrophobicContact CB-CD1 4.32Å; L19-L93 HydrophobicContact CD2-CD1 3.74Å; L19-L93 HydrophobicContact CG-CD1 3.61Å; L19-C96 HydrophobicContact CD2-CB 4.36Å; L19-K97 HydrophobicContact CD2-CG 3.77Å; L19-L360 WeakPolarHBondContact CD1-O 3.25Å; L19-S361 VanDerWaalsContact CD1-C 3.5Å; L19-S361 WeakPolarHBondContact CD1-O 3.3Å
20F90.6Very high88.8Confident4 Ų433 Ų332%0.01818%0.176CC..Hα-helixtrans-62.4-46.1170.6-175.3-85000111.2L4 L10 C13 L14 D17 N22 F23 F24 L81 F84 L93L4-F20 HydrophobicContact CD1-CE2 4.44Å; L4-F20 HydrophobicContact CD2-CE2 4.11Å; L10-F20 HydrophobicContact CD1-CE1 3.71Å; L10-F20 HydrophobicContact CD1-CZ 3.79Å; C13-F20 HydrophobicContact CB-CD1 3.98Å; C13-F20 HydrophobicContact CB-CE1 3.86Å; C13-F20 HydrophobicContact CB-CG 4.45Å; C13-F20 HydrophobicContact CB-CZ 4.2Å; L14-F20 HydrophobicContact CD2-CD1 3.86Å; L14-F20 HydrophobicContact CD2-CE1 3.8Å; L14-F20 HydrophobicContact CG-CD1 4.38Å; L14-F20 HydrophobicContact CG-CE1 4.11Å; D17-F20 HydrophobicContact CB-CB 3.76Å; D17-F20 WeakPolarHBondContact O-CA 3.27Å; D17-F20 WeakPolarHBondContact O-CB 3.28Å; D17-F20 PolarHBondContact O-N 3.29Å; D17-F20 PolarHBondContact OD1-N 2.9Å; F20-N22 VanDerWaalsContact C-N 3.33Å; F20-N22 PolarHBondContact O-N 3.23Å; F20-F23 PolarHBondContact O-N 3.19Å; F20-F24 HydrophobicContact CD1-CB 4.44Å; F20-F24 HydrophobicContact CE1-CB 4.27Å; F20-F24 HydrophobicContact CE1-CG 4.36Å; F20-F24 VanDerWaalsContact O-CB 3.23Å; F20-F24 WeakPolarHBondContact O-CB 3.48Å; F20-F24 PolarHBondContact O-N 3.18Å; F20-L81 HydrophobicContact CZ-CD1 4.31Å; F20-F84 HydrophobicContact CD2-CE1 4.24Å; F20-F84 HydrophobicContact CE2-CD1 4.38Å; F20-F84 AromaticContact CE2-CE1 3.69Å; F20-F84 HydrophobicContact CE2-CE1 3.69Å; F20-F84 HydrophobicContact CZ-CD1 4.43Å; F20-F84 HydrophobicContact CZ-CE1 4Å; F20-L93 HydrophobicContact CD2-CD2 3.92Å
21E90.9Very high88.6Confident34 Ų3434.9 Ų34.916%0.15919%0.188CC..Hα-helixtrans-55.3-47.6174-177.3-177.8-167.600111D17 F23 F24 N25 R41D17-E21 PolarHBondContact O-N 3.28Å; E21-F23 PolarHBondContact O-N 2.91Å; E21-F24 PolarHBondContact O-N 2.89Å; E21-N25 WeakPolarHBondContact CG-ND2 3.42Å; E21-N25 VanDerWaalsContact O-CB 3.23Å; E21-N25 WeakPolarHBondContact O-CB 3.33Å; E21-N25 PolarHBondContact O-N 2.95Å; E21-N25 PolarHBondContact O-ND2 3.03Å; E21-R41 VanDerWaalsContact OE1-CB 3.22Å; E21-R41 WeakPolarHBondContact OE1-CB 3.49Å; E21-R41 PolarHBondContact OE1-N 3.37Å; E21-R41 WeakPolarHBondContact OE2-CD 3.3Å; E21-R41 IonicContact OE2-NH1 2.71Å
22N90.3Very high88.5Confident63 Ų6333.4 Ų33.434%0.33718%0.181SC..Hα-helixtrans-60.2-47.6-179.4-167.9-93.5000112.9D18 L19 F20 F26 R363D18-N22 WeakPolarHBondContact O-CB 2.93Å; D18-N22 PolarHBondContact O-N 3.25Å; L19-N22 PolarHBondContact O-N 3.41Å; F20-N22 VanDerWaalsContact C-N 3.33Å; F20-N22 PolarHBondContact O-N 3.23Å; N22-F26 PolarHBondContact O-N 3.19Å; N22-F26 VanDerWaalsContact O-N 3.1Å; N22-R363 WeakPolarHBondContact OD1-CB 3.31Å; N22-R363 PolarHBondContact OD1-N 3.4Å
23F91.1Very high88.7Confident0 Ų028.5 Ų28.50%016%0.158CC..Hα-helixtrans-74.1-36.2-179.2-84.2-102000112.7L19 F20 E21 F26 F27 F84 T89 E92 L93 C96 R363 M366L19-F23 HydrophobicContact CD1-CD2 4.14Å; L19-F23 HydrophobicContact CD1-CE2 3.79Å; L19-F23 HydrophobicContact CG-CD2 4.15Å; L19-F23 HydrophobicContact CG-CE2 4.11Å; L19-F23 VanDerWaalsContact O-CD2 3.3Å; L19-F23 WeakPolarHBondContact O-CD2 3.29Å; L19-F23 PolarHBondContact O-N 2.84Å; F20-F23 PolarHBondContact O-N 3.19Å; E21-F23 PolarHBondContact O-N 2.91Å; F23-F26 PolarHBondContact O-N 3.34Å; F23-F27 WeakPolarHBondContact O-CB 3.42Å; F23-F27 PolarHBondContact O-N 2.98Å; F23-F84 HydrophobicContact CB-CZ 4.24Å; F23-T89 HydrophobicContact CB-CG2 4.24Å; F23-T89 HydrophobicContact CD1-CG2 3.79Å; F23-T89 VanDerWaalsContact CD1-O 3.27Å; F23-T89 WeakPolarHBondContact CD1-O 3.4Å; F23-T89 HydrophobicContact CG-CG2 4.5Å; F23-T89 WeakPolarHBondContact O-CG2 3.22Å; F23-E92 HydrophobicContact CD1-CB 4.47Å; F23-E92 HydrophobicContact CE1-CB 3.69Å; F23-L93 HydrophobicContact CB-CB 4.15Å; F23-L93 HydrophobicContact CB-CD1 4.17Å; F23-L93 HydrophobicContact CB-CD2 4.2Å; F23-L93 HydrophobicContact CB-CG 4.4Å; F23-L93 HydrophobicContact CD1-CB 3.77Å; F23-L93 HydrophobicContact CD2-CB 4.38Å; F23-L93 HydrophobicContact CD2-CD1 3.71Å; F23-L93 HydrophobicContact CE1-CB 4.19Å; F23-L93 HydrophobicContact CE2-CD1 4.17Å; F23-L93 HydrophobicContact CG-CB 3.85Å; F23-L93 HydrophobicContact CG-CD1 3.92Å; F23-L93 HydrophobicContact CG-CG 4.35Å; F23-C96 HydrophobicContact CE2-CB 4.45Å; F23-C96 HydrophobicContact CZ-CB 4.14Å; F23-R363 HydrophobicContact CD1-CB 4.12Å; F23-R363 HydrophobicContact CD1-CG 3.96Å; F23-R363 HydrophobicContact CD2-CB 4.01Å; F23-R363 HydrophobicContact CE1-CB 3.83Å; F23-R363 HydrophobicContact CE1-CG 3.55Å; F23-R363 HydrophobicContact CE2-CB 3.75Å; F23-R363 HydrophobicContact CE2-CG 4.39Å; F23-R363 HydrophobicContact CG-CB 4.23Å; F23-R363 HydrophobicContact CZ-CB 3.67Å; F23-R363 HydrophobicContact CZ-CG 3.83Å; F23-M366 HydrophobicContact CZ-CB 4.01Å; F23-M366 HydrophobicContact CZ-CG 4.32Å
24F92.4Very high88.6Confident0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-68.7-42176-167-112.7000111.6L10 L14 F20 E21 F26 F27 L28 F46 R80 F84L10-F24 HydrophobicContact CD2-CE1 4.5Å; L10-F24 HydrophobicContact CD2-CZ 4.21Å; L14-F24 HydrophobicContact CD1-CD1 4.38Å; L14-F24 HydrophobicContact CD1-CE1 4.31Å; L14-F24 HydrophobicContact CD2-CB 4.21Å; L14-F24 HydrophobicContact CD2-CD1 3.64Å; L14-F24 HydrophobicContact CD2-CE1 4.35Å; L14-F24 HydrophobicContact CD2-CG 4.21Å; F20-F24 HydrophobicContact CD1-CB 4.44Å; F20-F24 HydrophobicContact CE1-CB 4.27Å; F20-F24 HydrophobicContact CE1-CG 4.36Å; F20-F24 VanDerWaalsContact O-CB 3.23Å; F20-F24 WeakPolarHBondContact O-CB 3.48Å; F20-F24 PolarHBondContact O-N 3.18Å; E21-F24 PolarHBondContact O-N 2.89Å; F24-F26 VanDerWaalsContact C-N 3.34Å; F24-F26 PolarHBondContact O-N 3.15Å; F24-F27 HydrophobicContact CD2-CD1 4.21Å; F24-F27 HydrophobicContact CE2-CD1 4.21Å; F24-F27 HydrophobicContact CE2-CE1 4.41Å; F24-F27 WeakPolarHBondContact O-CB 3.33Å; F24-F27 PolarHBondContact O-N 3Å; F24-F27 VanDerWaalsContact O-N 3.14Å; F24-L28 HydrophobicContact CD1-CD1 3.73Å; F24-L28 HydrophobicContact CD1-CG 4.22Å; F24-L28 HydrophobicContact CE1-CD1 3.64Å; F24-L28 HydrophobicContact CE1-CD2 4.39Å; F24-L28 HydrophobicContact CE1-CG 4.14Å; F24-L28 HydrophobicContact CZ-CD1 4.41Å; F24-L28 HydrophobicContact CZ-CD2 4.38Å; F24-L28 HydrophobicContact CZ-CG 4.49Å; F24-L28 WeakPolarHBondContact O-CG 3.47Å; F24-L28 PolarHBondContact O-N 2.96Å; F24-F46 HydrophobicContact CE1-CE1 4.47Å; F24-R80 HydrophobicContact CZ-CB 4.28Å; F24-F84 HydrophobicContact CB-CE1 4.46Å; F24-F84 HydrophobicContact CB-CZ 4.24Å; F24-F84 HydrophobicContact CD2-CB 4.21Å; F24-F84 AromaticContact CD2-CD1 3.65Å; F24-F84 HydrophobicContact CD2-CD1 3.65Å; F24-F84 HydrophobicContact CD2-CD2 4.07Å; F24-F84 AromaticContact CD2-CE1 3.91Å; F24-F84 HydrophobicContact CD2-CE1 3.91Å; F24-F84 HydrophobicContact CD2-CE2 4.3Å; F24-F84 AromaticContact CD2-CG 3.72Å; F24-F84 HydrophobicContact CD2-CG 3.72Å; F24-F84 HydrophobicContact CD2-CZ 4.22Å; F24-F84 HydrophobicContact CE2-CB 4.07Å; F24-F84 HydrophobicContact CE2-CD1 4.14Å; F24-F84 HydrophobicContact CE2-CG 4.09Å
25N91.9Very high88.4Confident20 Ų2029.4 Ų29.411%0.10716%0.163CC..Hα-helixtrans-63.9-36.3173.4-82.3-27.4000112.7E21 S29 Q38 Y39E21-N25 WeakPolarHBondContact CG-ND2 3.42Å; E21-N25 VanDerWaalsContact O-CB 3.23Å; E21-N25 WeakPolarHBondContact O-CB 3.33Å; E21-N25 PolarHBondContact O-N 2.95Å; E21-N25 PolarHBondContact O-ND2 3.03Å; N25-S29 PolarHBondContact O-N 2.73Å; N25-Q38 HydrophobicContact CB-CG 4.43Å; N25-Q38 WeakPolarHBondContact OD1-CA 3.48Å; N25-Y39 PolarHBondContact ND2-O 2.83Å; N25-Y39 WeakPolarHBondContact OD1-CB 3.48Å; N25-Y39 PolarHBondContact OD1-N 3.02Å; N25-Y39 PolarHBondContact OD1-O 3.48Å
26F89.3Confident88.4Confident59 Ų5928.2 Ų28.226%0.25916%0.155SC..Hα-helixtrans-62.4-47.4169.8175.2-92.7000111.3N22 F23 F24 L28 S29 L30 T89 R363N22-F26 PolarHBondContact O-N 3.19Å; N22-F26 VanDerWaalsContact O-N 3.1Å; F23-F26 PolarHBondContact O-N 3.34Å; F24-F26 VanDerWaalsContact C-N 3.34Å; F24-F26 PolarHBondContact O-N 3.15Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.4Å; F26-S29 WeakPolarHBondContact O-CA 3.32Å; F26-S29 WeakPolarHBondContact O-CB 3.31Å; F26-S29 PolarHBondContact O-N 3.11Å; F26-S29 PolarHBondContact O-OG 3.28Å; F26-L30 HydrophobicContact CE1-CD2 3.57Å; F26-L30 HydrophobicContact CE1-CG 3.98Å; F26-L30 HydrophobicContact CZ-CD2 3.67Å; F26-L30 HydrophobicContact CZ-CG 4.36Å; F26-L30 PolarHBondContact O-N 3.18Å; F26-T89 HydrophobicContact CD1-CG2 3.92Å; F26-R363 VanDerWaalsContact CD1-CZ 3.45Å; F26-R363 VanDerWaalsContact CE1-CZ 3.42Å; F26-R363 VanDerWaalsContact CE2-NH1 3.28Å
27F92.3Very high88.5Confident0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-57.3-44.7179.4164-96.5000112.3F23 F24 S29 L30 F33 R80 F84 T89 A692F23-F27 WeakPolarHBondContact O-CB 3.42Å; F23-F27 PolarHBondContact O-N 2.98Å; F24-F27 HydrophobicContact CD2-CD1 4.21Å; F24-F27 HydrophobicContact CE2-CD1 4.21Å; F24-F27 HydrophobicContact CE2-CE1 4.41Å; F24-F27 WeakPolarHBondContact O-CB 3.33Å; F24-F27 PolarHBondContact O-N 3Å; F24-F27 VanDerWaalsContact O-N 3.14Å; F27-S29 PolarHBondContact O-N 2.85Å; F27-L30 HydrophobicContact CD2-CD1 3.76Å; F27-L30 HydrophobicContact CE2-CD1 4.43Å; F27-L30 HydrophobicContact CG-CD1 4.46Å; F27-L30 VanDerWaalsContact O-CB 3.27Å; F27-L30 WeakPolarHBondContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CG 3.37Å; F27-L30 PolarHBondContact O-N 3.47Å; F27-L30 VanDerWaalsContact O-N 3.09Å; F27-F33 HydrophobicContact CD1-CE2 4.33Å; F27-F33 HydrophobicContact CD2-CE2 4.39Å; F27-F33 AromaticContact CE1-CE2 3.9Å; F27-F33 HydrophobicContact CE1-CE2 3.9Å; F27-F33 AromaticContact CE1-CZ 3.95Å; F27-F33 HydrophobicContact CE1-CZ 3.95Å; F27-F33 AromaticContact CE2-CE2 3.98Å; F27-F33 HydrophobicContact CE2-CE2 3.98Å; F27-F33 AromaticContact CE2-CZ 3.97Å; F27-F33 HydrophobicContact CE2-CZ 3.97Å; F27-F33 AromaticContact CZ-CE2 3.71Å; F27-F33 HydrophobicContact CZ-CE2 3.71Å; F27-F33 AromaticContact CZ-CZ 3.48Å; F27-F33 HydrophobicContact CZ-CZ 3.48Å; F27-F33 VanDerWaalsContact CZ-CZ 3.48Å; F27-F33 WeakPolarHBondContact O-CE2 3.29Å; F27-R80 HydrophobicContact CE1-CB 4.21Å; F27-R80 WeakPolarHBondContact CE1-O 3.37Å; F27-R80 WeakPolarHBondContact CZ-O 3.47Å; F27-F84 HydrophobicContact CB-CD2 3.62Å; F27-F84 HydrophobicContact CB-CE2 3.86Å; F27-F84 HydrophobicContact CD1-CB 3.95Å; F27-F84 AromaticContact CD1-CD2 3.84Å; F27-F84 HydrophobicContact CD1-CD2 3.84Å; F27-F84 HydrophobicContact CD1-CG 4.22Å; F27-F84 HydrophobicContact CD2-CB 4.38Å; F27-F84 AromaticContact CD2-CD2 3.85Å; F27-F84 HydrophobicContact CD2-CD2 3.85Å; F27-F84 HydrophobicContact CE1-CB 3.75Å; F27-F84 HydrophobicContact CE1-CD2 4.47Å; F27-F84 HydrophobicContact CE2-CB 4.2Å; F27-F84 HydrophobicContact CE2-CD2 4.47Å; F27-F84 HydrophobicContact CG-CB 4.27Å; F27-F84 AromaticContact CG-CD2 3.49Å; F27-F84 HydrophobicContact CG-CD2 3.49Å; F27-F84 VanDerWaalsContact CG-CD2 3.49Å; F27-F84 HydrophobicContact CG-CE2 4.25Å; F27-F84 HydrophobicContact CG-CG 4.28Å; F27-F84 HydrophobicContact CZ-CB 3.87Å; F27-T89 HydrophobicContact CB-CG2 4.22Å; F27-A692 HydrophobicContact CE2-CB 4.21Å
28L91.5Very high88.6Confident1 Ų126.9 Ų26.91%0.00514%0.14CC..Hα-helixtrans-65.2-15175.2-68.6176.1000114.4F24 F26 L37 F46 R80F24-L28 HydrophobicContact CD1-CD1 3.73Å; F24-L28 HydrophobicContact CD1-CG 4.22Å; F24-L28 HydrophobicContact CE1-CD1 3.64Å; F24-L28 HydrophobicContact CE1-CD2 4.39Å; F24-L28 HydrophobicContact CE1-CG 4.14Å; F24-L28 HydrophobicContact CZ-CD1 4.41Å; F24-L28 HydrophobicContact CZ-CD2 4.38Å; F24-L28 HydrophobicContact CZ-CG 4.49Å; F24-L28 WeakPolarHBondContact O-CG 3.47Å; F24-L28 PolarHBondContact O-N 2.96Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.4Å; L28-L37 CarbonylContact C-O 3.59Å; L28-L37 HydrophobicContact CB-CB 4.19Å; L28-L37 WeakPolarHBondContact CB-O 3.34Å; L28-L37 PolarHBondContact O-N 3.34Å; L28-F46 HydrophobicContact CD1-CD1 4.17Å; L28-F46 HydrophobicContact CD1-CE1 3.79Å; L28-R80 HydrophobicContact CD2-CB 4.19Å; L28-R80 HydrophobicContact CD2-CG 3.85Å
29S87.8Confident88.8Confident37 Ų3722.2 Ų22.226%0.25912%0.115SC..THydrogen-bonded Turntrans-95.10.4174.779.20000114.2N25 F26 F27N25-S29 PolarHBondContact O-N 2.73Å; F26-S29 WeakPolarHBondContact O-CA 3.32Å; F26-S29 WeakPolarHBondContact O-CB 3.31Å; F26-S29 PolarHBondContact O-N 3.11Å; F26-S29 PolarHBondContact O-OG 3.28Å; F27-S29 PolarHBondContact O-N 2.85Å
30L87Confident88.7Confident8 Ų824.1 Ų24.14%0.04213%0.125CC..SBendtrans-61.8141.7179-77.8170.2000111.6F26 F27 V32 F33 A692F26-L30 HydrophobicContact CE1-CD2 3.57Å; F26-L30 HydrophobicContact CE1-CG 3.98Å; F26-L30 HydrophobicContact CZ-CD2 3.67Å; F26-L30 HydrophobicContact CZ-CG 4.36Å; F26-L30 PolarHBondContact O-N 3.18Å; F27-L30 HydrophobicContact CD2-CD1 3.76Å; F27-L30 HydrophobicContact CE2-CD1 4.43Å; F27-L30 HydrophobicContact CG-CD1 4.46Å; F27-L30 VanDerWaalsContact O-CB 3.27Å; F27-L30 WeakPolarHBondContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CG 3.37Å; F27-L30 PolarHBondContact O-N 3.47Å; F27-L30 VanDerWaalsContact O-N 3.09Å; L30-V32 HydrophobicContact CB-CG1 4.08Å; L30-V32 PolarHBondContact O-N 2.54Å; L30-F33 HydrophobicContact CB-CD2 4.31Å; L30-F33 HydrophobicContact CB-CE2 4.5Å; L30-F33 PolarHBondContact O-N 2.81Å; L30-F33 VanDerWaalsContact O-N 3.09Å; L30-A692 HydrophobicContact CD1-CB 3.87Å
31P84.1Confident88.4Confident46 Ų4627.6 Ų27.630%0.29914%0.138SC..THydrogen-bonded Turntrans-72.23.2-178.432.8-36.3000113.7F33 T685P31-F33 VanDerWaalsContact C-N 3.29Å; P31-T685 HydrophobicContact CB-CG2 4.09Å
32V85.7Confident87.9Confident0 Ų034.1 Ų34.10%017%0.173CC..THydrogen-bonded Turntrans-71.7-26.6167.8790000111.8L30 S688 D689 A692 P695 W796 Y799L30-V32 HydrophobicContact CB-CG1 4.08Å; L30-V32 PolarHBondContact O-N 2.54Å; V32-S688 WeakPolarHBondContact CB-OG 3.43Å; V32-S688 PolarHBondContact N-OG 3.32Å; V32-S688 VanDerWaalsContact N-OG 3.16Å; V32-D689 HydrophobicContact CG2-CB 4.07Å; V32-A692 HydrophobicContact CB-CB 4.3Å; V32-A692 HydrophobicContact CG1-CB 3.64Å; V32-P695 HydrophobicContact CG1-CG 4.08Å; V32-P695 HydrophobicContact CG2-CG 3.71Å; V32-W796 HydrophobicContact CB-CH2 4.44Å; V32-W796 HydrophobicContact CG2-CH2 3.81Å; V32-W796 HydrophobicContact CG2-CZ3 4.25Å; V32-Y799 WeakPolarHBondContact O-CE1 3.41Å
33F88.6Confident87.4Confident5 Ų533.7 Ų33.72%0.02218%0.176CC..SBendtrans-93.8142.2-175.1-64-56.5000111.2F27 L30 P31 L35 R80 P695F27-F33 HydrophobicContact CD1-CE2 4.33Å; F27-F33 HydrophobicContact CD2-CE2 4.39Å; F27-F33 AromaticContact CE1-CE2 3.9Å; F27-F33 HydrophobicContact CE1-CE2 3.9Å; F27-F33 AromaticContact CE1-CZ 3.95Å; F27-F33 HydrophobicContact CE1-CZ 3.95Å; F27-F33 AromaticContact CE2-CE2 3.98Å; F27-F33 HydrophobicContact CE2-CE2 3.98Å; F27-F33 AromaticContact CE2-CZ 3.97Å; F27-F33 HydrophobicContact CE2-CZ 3.97Å; F27-F33 AromaticContact CZ-CE2 3.71Å; F27-F33 HydrophobicContact CZ-CE2 3.71Å; F27-F33 AromaticContact CZ-CZ 3.48Å; F27-F33 HydrophobicContact CZ-CZ 3.48Å; F27-F33 VanDerWaalsContact CZ-CZ 3.48Å; F27-F33 WeakPolarHBondContact O-CE2 3.29Å; L30-F33 HydrophobicContact CB-CD2 4.31Å; L30-F33 HydrophobicContact CB-CE2 4.5Å; L30-F33 PolarHBondContact O-N 2.81Å; L30-F33 VanDerWaalsContact O-N 3.09Å; P31-F33 VanDerWaalsContact C-N 3.29Å; F33-L35 PolarHBondContact O-N 3.39Å; F33-R80 VanDerWaalsContact CD1-NH2 3.32Å; F33-P695 HydrophobicContact CE1-CB 4.19Å; F33-P695 HydrophobicContact CE1-CG 4.09Å; F33-P695 HydrophobicContact CZ-CG 4.38Å
34S85.2Confident87Confident8 Ų834 Ų346%0.05618%0.178CC..SBendtrans-61.9-27.6-178.7640000113.4M800 D803 A804 V840S34-M800 WeakPolarHBondContact CB-O 3.25Å; S34-D803 VanDerWaalsContact CB-OD2 3.3Å; S34-D803 WeakPolarHBondContact CB-OD2 3.08Å; S34-D803 PolarHBondContact N-OD2 2.89Å; S34-D803 PolarHBondContact OG-OD2 3.34Å; S34-A804 VanDerWaalsContact OG-CA 3.28Å; S34-A804 WeakPolarHBondContact OG-CA 3.49Å; S34-A804 PolarHBondContact OG-N 3.34Å; S34-V840 WeakPolarHBondContact O-CG2 3.32Å
35L84.3Confident86.5Confident19 Ų1935.4 Ų35.410%0.09919%0.185CC..SBendtrans-134.8124-178-62.5172.5000108.4F33 L37 L48 F807 F808 V840F33-L35 PolarHBondContact O-N 3.39Å; L35-L37 HydrophobicContact CB-CG 4.43Å; L35-L37 PolarHBondContact O-N 2.92Å; L35-L48 HydrophobicContact CB-CD2 3.89Å; L35-L48 HydrophobicContact CD2-CD2 4.1Å; L35-L48 HydrophobicContact CG-CD2 4.39Å; L35-F807 HydrophobicContact CD1-CB 4.2Å; L35-F807 HydrophobicContact CD1-CD1 3.38Å; L35-F807 HydrophobicContact CD1-CE1 4.06Å; L35-F807 HydrophobicContact CD1-CG 4.04Å; L35-F808 HydrophobicContact CD1-CD2 4.18Å; L35-F808 HydrophobicContact CD1-CE2 3.84Å; L35-V840 HydrophobicContact CD2-CB 4.31Å
36K86.2Confident86.1Confident56 Ų5634.8 Ų34.824%0.24318%0.182CC..  trans-80.1108.4175.9-60.7177-1561610108.6T49 D50K36-T49 PolarHBondContact O-N 2.8Å; K36-T49 PolarHBondContact O-OG1 2.89Å; K36-D50 VanDerWaalsContact CD-OD2 3.31Å; K36-D50 WeakPolarHBondContact CD-OD2 3.45Å; K36-D50 WeakPolarHBondContact CE-OD2 3.41Å; K36-D50 IonicContact NZ-OD2 2.94Å; K36-D50 PolarHBondContact NZ-OD2 3.5Å
37L87.8Confident85.8Confident1 Ų134.3 Ų34.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-106.6150.6-174-64.7169.3000111.3L28 L35 T47 L48 W75 F807L28-L37 CarbonylContact C-O 3.59Å; L28-L37 HydrophobicContact CB-CB 4.19Å; L28-L37 WeakPolarHBondContact CB-O 3.34Å; L28-L37 PolarHBondContact O-N 3.34Å; L35-L37 HydrophobicContact CB-CG 4.43Å; L35-L37 PolarHBondContact O-N 2.92Å; L37-T47 CarbonylContact C-O 3.24Å; L37-T47 WeakPolarHBondContact CA-O 3.46Å; L37-L48 HydrophobicContact CD2-CD2 3.71Å; L37-L48 HydrophobicContact CD2-CG 4.17Å; L37-W75 HydrophobicContact CD1-CH2 3.73Å; L37-W75 HydrophobicContact CD1-CZ3 3.98Å; L37-F807 HydrophobicContact CD1-CD2 3.68Å; L37-F807 HydrophobicContact CD1-CE2 3.6Å; L37-F807 HydrophobicContact CD1-CG 4.35Å; L37-F807 HydrophobicContact CD1-CZ 4.21Å; L37-F807 HydrophobicContact CD2-CE1 4.09Å; L37-F807 HydrophobicContact CD2-CE2 3.84Å; L37-F807 HydrophobicContact CD2-CZ 3.58Å; L37-F807 HydrophobicContact CG-CE2 4.4Å
38Q89.5Confident85.3Confident83 Ų8336.4 Ų36.439%0.38819%0.194SC..EExtended strand (participates in β ladder)trans-138.2116.7171.2176.1175.6-0.600109.2N25 T47 T49N25-Q38 HydrophobicContact CB-CG 4.43Å; N25-Q38 WeakPolarHBondContact OD1-CA 3.48Å; Q38-T47 PolarHBondContact N-O 3.05Å; Q38-T47 PolarHBondContact O-N 2.95Å; Q38-T47 PolarHBondContact O-OG1 3.35Å; Q38-T49 WeakPolarHBondContact CB-OG1 3.43Å
39Y89.6Confident84.4Confident0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-65.7136.8164.8-178.8-98.2000109.9L14 N25 R41 G44 F46L14-Y39 HydrophobicContact CB-CD1 3.98Å; L14-Y39 HydrophobicContact CB-CE1 3.58Å; L14-Y39 HydrophobicContact CD1-CD1 4.15Å; L14-Y39 HydrophobicContact CD1-CD2 4.08Å; L14-Y39 HydrophobicContact CD1-CE1 4.25Å; L14-Y39 HydrophobicContact CD1-CE2 4.17Å; L14-Y39 HydrophobicContact CD1-CG 4.05Å; L14-Y39 HydrophobicContact CD2-CD1 4.29Å; L14-Y39 HydrophobicContact CG-CD1 4.38Å; L14-Y39 HydrophobicContact CG-CE1 4.4Å; N25-Y39 PolarHBondContact ND2-O 2.83Å; N25-Y39 WeakPolarHBondContact OD1-CB 3.48Å; N25-Y39 PolarHBondContact OD1-N 3.02Å; N25-Y39 PolarHBondContact OD1-O 3.48Å; Y39-R41 HydrophobicContact CD1-CB 4.47Å; Y39-R41 HydrophobicContact CE1-CB 3.97Å; Y39-G44 WeakPolarHBondContact CE2-O 3.21Å; Y39-F46 HydrophobicContact CD2-CD1 4.46Å; Y39-F46 AromaticContact CD2-CD2 3.98Å; Y39-F46 HydrophobicContact CD2-CD2 3.98Å; Y39-F46 HydrophobicContact CD2-CE1 4.16Å; Y39-F46 AromaticContact CD2-CE2 3.65Å; Y39-F46 HydrophobicContact CD2-CE2 3.65Å; Y39-F46 HydrophobicContact CD2-CG 4.38Å; Y39-F46 AromaticContact CD2-CZ 3.75Å; Y39-F46 HydrophobicContact CD2-CZ 3.75Å; Y39-F46 HydrophobicContact CE2-CE2 4.21Å; Y39-F46 HydrophobicContact CG-CZ 4.46Å
40N86.3Confident83.1Confident62 Ų6239.9 Ų39.933%0.33221%0.212SC..EExtended strand (participates in β ladder)trans-117.8101.3176.2179.1-11.4000109.9L42 S43 G44 E45N40-L42 PolarHBondContact O-N 2.94Å; N40-L42 WeakPolarHBondContact OD1-CB 3.37Å; N40-L42 PolarHBondContact OD1-N 2.96Å; N40-S43 PolarHBondContact O-N 3.16Å; N40-S43 PolarHBondContact O-OG 3.36Å; N40-G44 PolarHBondContact O-N 3.38Å; N40-E45 PolarHBondContact N-O 3.4Å
41R84.4Confident81.2Confident77 Ų7744.7 Ų44.729%0.29125%0.247SC..THydrogen-bonded Turntrans-55.2-18.6179.4179.6177.9175.6-154.417.4115.8L14 I15 D18 E21 Y39L14-R41 WeakPolarHBondContact O-CD 3.42Å; I15-R41 VanDerWaalsContact O-CZ 3.26Å; I15-R41 PolarHBondContact O-NE 3.42Å; I15-R41 PolarHBondContact O-NH2 3.04Å; D18-R41 IonicContact OD1-CZ 3.22Å; D18-R41 VanDerWaalsContact OD1-CZ 3.23Å; D18-R41 IonicContact OD1-NH1 3.49Å; D18-R41 PolarHBondContact OD1-NH1 3.45Å; D18-R41 IonicContact OD1-NH2 3.5Å; D18-R41 PolarHBondContact OD1-NH2 3.13Å; D18-R41 IonicContact OD2-CZ 3.48Å; D18-R41 IonicContact OD2-NH1 2.79Å; D18-R41 PolarHBondContact OD2-NH1 3.3Å; D18-R41 IonicContact OD2-NH2 3.22Å; E21-R41 VanDerWaalsContact OE1-CB 3.22Å; E21-R41 WeakPolarHBondContact OE1-CB 3.49Å; E21-R41 PolarHBondContact OE1-N 3.37Å; E21-R41 WeakPolarHBondContact OE2-CD 3.3Å; E21-R41 IonicContact OE2-NH1 2.71Å; Y39-R41 HydrophobicContact CD1-CB 4.47Å; Y39-R41 HydrophobicContact CE1-CB 3.97Å
42L81.6Confident79.2Confident171 Ų17145.2 Ų45.290%0.89525%0.25SS*.THydrogen-bonded Turntrans-83.9-20.3176.5-63.1180000114.1N40N40-L42 PolarHBondContact O-N 2.94Å; N40-L42 WeakPolarHBondContact OD1-CB 3.37Å; N40-L42 PolarHBondContact OD1-N 2.96Å
43S79.5Confident77Confident55 Ų5554.6 Ų54.639%0.38529%0.294SS..THydrogen-bonded Turntrans-112-19.7172.3590000113.5N40 E45N40-S43 PolarHBondContact O-N 3.16Å; N40-S43 PolarHBondContact O-OG 3.36Å; S43-E45 PolarHBondContact O-N 3.44Å; S43-E45 WeakPolarHBondContact OG-CB 3.24Å; S43-E45 PolarHBondContact OG-N 2.95Å
44G81.2Confident74.9Confident6 Ų657.7 Ų57.76%0.06231%0.311CS..THydrogen-bonded Turntrans72.17.6-16800000113.5Y39 N40 R69Y39-G44 WeakPolarHBondContact CE2-O 3.21Å; N40-G44 PolarHBondContact O-N 3.38Å; G44-R69 VanDerWaalsContact O-CG 3.31Å; G44-R69 WeakPolarHBondContact O-CG 3.33Å
45E82.4Confident72.8Confident30 Ų3064.3 Ų64.314%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-95.3147.3-174.3-63.4-175.5129.200111.9N40 S43 L62 L64N40-E45 PolarHBondContact N-O 3.4Å; S43-E45 PolarHBondContact O-N 3.44Å; S43-E45 WeakPolarHBondContact OG-CB 3.24Å; S43-E45 PolarHBondContact OG-N 2.95Å; E45-L62 VanDerWaalsContact CB-O 3.23Å; E45-L62 WeakPolarHBondContact CB-O 3.23Å; E45-L62 VanDerWaalsContact CG-O 3.24Å; E45-L62 WeakPolarHBondContact CG-O 3.33Å; E45-L64 PolarHBondContact OE1-N 2.84Å
46F84.7Confident70.8Confident7 Ų766.8 Ų66.83%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-88.4121166.9-72.6-98000109.7F24 L28 Y39 V72 I73 A76F24-F46 HydrophobicContact CE1-CE1 4.47Å; L28-F46 HydrophobicContact CD1-CD1 4.17Å; L28-F46 HydrophobicContact CD1-CE1 3.79Å; Y39-F46 HydrophobicContact CD2-CD1 4.46Å; Y39-F46 AromaticContact CD2-CD2 3.98Å; Y39-F46 HydrophobicContact CD2-CD2 3.98Å; Y39-F46 HydrophobicContact CD2-CE1 4.16Å; Y39-F46 AromaticContact CD2-CE2 3.65Å; Y39-F46 HydrophobicContact CD2-CE2 3.65Å; Y39-F46 HydrophobicContact CD2-CG 4.38Å; Y39-F46 AromaticContact CD2-CZ 3.75Å; Y39-F46 HydrophobicContact CD2-CZ 3.75Å; Y39-F46 HydrophobicContact CE2-CE2 4.21Å; Y39-F46 HydrophobicContact CG-CZ 4.46Å; F46-V72 HydrophobicContact CB-CG1 4.15Å; F46-V72 HydrophobicContact CD2-CB 4.23Å; F46-V72 HydrophobicContact CD2-CG1 3.41Å; F46-V72 VanDerWaalsContact CD2-CG1 3.41Å; F46-V72 HydrophobicContact CE2-CG1 3.91Å; F46-V72 HydrophobicContact CG-CG1 3.86Å; F46-I73 HydrophobicContact CE2-CG1 3.99Å; F46-A76 HydrophobicContact CE1-CB 4.41Å; F46-A76 HydrophobicContact CZ-CB 3.92Å
47T83.2Confident68.6Low49 Ų4974.1 Ų74.130%0.30139%0.39SS..EExtended strand (participates in β ladder)trans-109.4151.5-177.1630000111.2L37 Q38L37-T47 CarbonylContact C-O 3.24Å; L37-T47 WeakPolarHBondContact CA-O 3.46Å; Q38-T47 PolarHBondContact N-O 3.05Å; Q38-T47 PolarHBondContact O-N 2.95Å; Q38-T47 PolarHBondContact O-OG1 3.35Å
48L80.8Confident66.4Low44 Ų4481.8 Ų81.823%0.2343%0.426CS..EExtended strand (participates in β ladder)trans-88.2115.5175.6-75.1159.3000109.4L35 L37L35-L48 HydrophobicContact CB-CD2 3.89Å; L35-L48 HydrophobicContact CD2-CD2 4.1Å; L35-L48 HydrophobicContact CG-CD2 4.39Å; L37-L48 HydrophobicContact CD2-CD2 3.71Å; L37-L48 HydrophobicContact CD2-CG 4.17Å
49T71.9Confident64.2Low53 Ų5382.8 Ų82.833%0.32544%0.442SS..SBendtrans-73.2-38.7-172.1-400000112.8K36 Q38K36-T49 PolarHBondContact O-N 2.8Å; K36-T49 PolarHBondContact O-OG1 2.89Å; Q38-T49 WeakPolarHBondContact CB-OG1 3.43Å
50D61.1Low62.3Low57 Ų5785.4 Ų85.431%0.30546%0.459SS..SBendtrans-96.397.4176.7-79.74.3000108.8K36 C52K36-D50 VanDerWaalsContact CD-OD2 3.31Å; K36-D50 WeakPolarHBondContact CD-OD2 3.45Å; K36-D50 WeakPolarHBondContact CE-OD2 3.41Å; K36-D50 IonicContact NZ-OD2 2.94Å; K36-D50 PolarHBondContact NZ-OD2 3.5Å; D50-C52 PolarHBondContact O-N 3.49Å
51S47.8Very low60.5Low110 Ų11090.6 Ų90.677%0.76947%0.474SS*.  trans-7454175.6-44.40000112.5
52C42.4Very low59Low56 Ų5688.2 Ų88.238%0.37847%0.467SS..  trans-59.2142.2162.3-70.40000108.8D50 L54 I839D50-C52 PolarHBondContact O-N 3.49Å; C52-L54 VanDerWaalsContact C-N 3.3Å; C52-L54 PolarHBondContact O-N 2.87Å; C52-I839 HydrophobicContact CB-CD1 4.14Å; C52-I839 HydrophobicContact CB-CG1 4.27Å
53E37.8Very low57.6Low197 Ų19780.6 Ų80.692%0.92143%0.429SS*.  trans-70.478.6-165-62.9-179.614600113.2D55E53-D55 PolarHBondContact O-N 2.99Å
54L45.7Very low56.7Low70 Ų7083.3 Ų83.337%0.36644%0.439SS..  trans-60114.6149-74174.1000106.7C52 I56C52-L54 VanDerWaalsContact C-N 3.3Å; C52-L54 PolarHBondContact O-N 2.87Å; L54-I56 HydrophobicContact CB-CD1 4.3Å; L54-I56 HydrophobicContact CB-CG1 4.34Å; L54-I56 PolarHBondContact O-N 2.92Å
55D40.9Very low56Low147 Ų14784.3 Ų84.379%0.78645%0.445SS*.SBendtrans-73.950.6-171.8-157.50.6000112.1E53E53-D55 PolarHBondContact O-N 2.99Å
56I42.7Very low55.7Low72 Ų7288.9 Ų88.937%0.36947%0.467SS..  trans-121.5111.1-174.6-49.7177.1000106.1L54 E58L54-I56 HydrophobicContact CB-CD1 4.3Å; L54-I56 HydrophobicContact CB-CG1 4.34Å; L54-I56 PolarHBondContact O-N 2.92Å; I56-E58 VanDerWaalsContact CG2-O 3.31Å; I56-E58 WeakPolarHBondContact CG2-O 3.37Å; I56-E58 PolarHBondContact O-N 3.19Å
57K39.7Very low55.5Low210 Ų21092.9 Ų92.991%0.91349%0.485SS*.SBendtrans-67.40.1-174-73.9-178174.91760115.3
58E40.8Very low55.3Low161 Ų16191.2 Ų91.275%0.75247%0.474SS*.SBendtrans-129115166.1-60.8-172.6159.200107.4I56 P60I56-E58 VanDerWaalsContact CG2-O 3.31Å; I56-E58 WeakPolarHBondContact CG2-O 3.37Å; I56-E58 PolarHBondContact O-N 3.19Å; E58-P60 WeakPolarHBondContact O-CD 3.43Å; E58-P60 VanDerWaalsContact O-N 3.1Å
59S43.6Very low55.3Low104 Ų10491.7 Ų91.773%0.72747%0.473SS*.  trans-55.4118.9164.1175.80000106.9R61S59-R61 PolarHBondContact O-N 3.2Å; S59-R61 VanDerWaalsContact O-N 3.07Å
60P49Very low55.9Low55 Ų5593.8 Ų93.836%0.35748%0.479SS..  trans-61.6120.7-171.223.7-33.2000108.7E58 L62E58-P60 WeakPolarHBondContact O-CD 3.43Å; E58-P60 VanDerWaalsContact O-N 3.1Å; P60-L62 HydrophobicContact CB-CD2 4.46Å; P60-L62 HydrophobicContact CB-CG 4.18Å; P60-L62 HydrophobicContact CG-CD1 4.24Å; P60-L62 HydrophobicContact CG-CG 4.27Å; P60-L62 WeakPolarHBondContact O-CG 3.47Å; P60-L62 PolarHBondContact O-N 3.46Å
61R50Low57.1Low172 Ų17294.9 Ų94.965%0.64948%0.479SS*.  trans-73.794.7172.6-64.9-176-179.9-173.80.7108S59 L64 K813S59-R61 PolarHBondContact O-N 3.2Å; S59-R61 VanDerWaalsContact O-N 3.07Å; R61-L64 HydrophobicContact CB-CD1 3.62Å; R61-L64 HydrophobicContact CB-CD2 4.08Å; R61-L64 HydrophobicContact CB-CG 3.64Å; R61-L64 HydrophobicContact CG-CD1 4.46Å; R61-K813 WeakPolarHBondContact O-CE 3.39Å; R61-K813 PolarHBondContact O-NZ 3.46Å
62L53Low59Low26 Ų2690 Ų9014%0.13645%0.445CS..THydrogen-bonded Turntrans-89.499.5-170.2-75.5164.6000109.7E45 P60 F807 A811E45-L62 VanDerWaalsContact CB-O 3.23Å; E45-L62 WeakPolarHBondContact CB-O 3.23Å; E45-L62 VanDerWaalsContact CG-O 3.24Å; E45-L62 WeakPolarHBondContact CG-O 3.33Å; P60-L62 HydrophobicContact CB-CD2 4.46Å; P60-L62 HydrophobicContact CB-CG 4.18Å; P60-L62 HydrophobicContact CG-CD1 4.24Å; P60-L62 HydrophobicContact CG-CG 4.27Å; P60-L62 WeakPolarHBondContact O-CG 3.47Å; P60-L62 PolarHBondContact O-N 3.46Å; L62-F807 HydrophobicContact CD1-CE1 4.45Å; L62-F807 HydrophobicContact CD1-CZ 4.28Å; L62-A811 HydrophobicContact CD2-CB 3.87Å
63G51.3Low61.2Low11 Ų1187.8 Ų87.811%0.11343%0.429CS..THydrogen-bonded Turntrans120.95.9-179.200000115.9S65G63-S65 PolarHBondContact O-N 3.1Å; G63-S65 VanDerWaalsContact O-N 3.12Å
64L60.2Low63.6Low113 Ų11383.6 Ų83.659%0.59241%0.408SS*.SBendtrans-57.1-23.5176.5-69.9-176.7000115.4E45 R61E45-L64 PolarHBondContact OE1-N 2.84Å; R61-L64 HydrophobicContact CB-CD1 3.62Å; R61-L64 HydrophobicContact CB-CD2 4.08Å; R61-L64 HydrophobicContact CB-CG 3.64Å; R61-L64 HydrophobicContact CG-CD1 4.46Å
65S68.1Low65.8Low26 Ų2681 Ų8118%0.18239%0.393CS..SBendtrans-98.9136.8170-139.60000108G63 E67 D68 R69 K815G63-S65 PolarHBondContact O-N 3.1Å; G63-S65 VanDerWaalsContact O-N 3.12Å; S65-E67 VanDerWaalsContact CB-OE2 3.23Å; S65-E67 WeakPolarHBondContact CB-OE2 3.49Å; S65-E67 PolarHBondContact O-N 3.09Å; S65-E67 PolarHBondContact OG-OE2 2.99Å; S65-D68 VanDerWaalsContact CB-CG 3.47Å; S65-D68 VanDerWaalsContact CB-OD2 3.27Å; S65-D68 WeakPolarHBondContact CB-OD2 3.32Å; S65-D68 WeakPolarHBondContact O-CA 3.26Å; S65-D68 VanDerWaalsContact O-CB 3.3Å; S65-D68 WeakPolarHBondContact O-CB 3.39Å; S65-D68 PolarHBondContact O-N 3.49Å; S65-R69 PolarHBondContact O-N 3.3Å; S65-K815 PolarHBondContact OG-NZ 3.09Å
66E76Confident68.2Low127 Ų12774 Ų7459%0.59336%0.356SS*.Hα-helixtrans-58.3-36.7178.8178.9143.7-111.400111.6D68 R69 E70E66-D68 VanDerWaalsContact C-N 3.26Å; E66-D68 PolarHBondContact O-N 3.36Å; E66-R69 WeakPolarHBondContact O-CB 3.34Å; E66-R69 PolarHBondContact O-N 3.18Å; E66-R69 IonicContact OE1-CZ 2.79Å; E66-R69 IonicContact OE1-NH1 4Å; E66-R69 PolarHBondContact OE1-NH1 3.02Å; E66-R69 IonicContact OE1-NH2 3.12Å; E66-R69 PolarHBondContact OE1-NH2 3.17Å; E66-E70 WeakPolarHBondContact O-CB 3.39Å; E66-E70 PolarHBondContact O-N 2.93Å
67E80.3Confident70.5Confident91 Ų9173.5 Ų73.543%0.42535%0.352SS..Hα-helixtrans-64.7-29174.3-39.194.7112.700112.2S65 R71 K815S65-E67 VanDerWaalsContact CB-OE2 3.23Å; S65-E67 WeakPolarHBondContact CB-OE2 3.49Å; S65-E67 PolarHBondContact O-N 3.09Å; S65-E67 PolarHBondContact OG-OE2 2.99Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 2.84Å; E67-R71 PolarHBondContact O-NH1 3.35Å; E67-K815 IonicContact OE1-NZ 3.83Å; E67-K815 PolarHBondContact OE1-NZ 2.99Å
68D79.2Confident72.8Confident13 Ų1366.7 Ų66.77%0.0733%0.331CS..Hα-helixtrans-75.2-42.1176.2-59.5-16.9000110.5S65 E66 R71 V72S65-D68 VanDerWaalsContact CB-CG 3.47Å; S65-D68 VanDerWaalsContact CB-OD2 3.27Å; S65-D68 WeakPolarHBondContact CB-OD2 3.32Å; S65-D68 WeakPolarHBondContact O-CA 3.26Å; S65-D68 VanDerWaalsContact O-CB 3.3Å; S65-D68 WeakPolarHBondContact O-CB 3.39Å; S65-D68 PolarHBondContact O-N 3.49Å; E66-D68 VanDerWaalsContact C-N 3.26Å; E66-D68 PolarHBondContact O-N 3.36Å; D68-R71 PolarHBondContact O-N 3.33Å; D68-R71 IonicContact OD1-CZ 3.52Å; D68-R71 VanDerWaalsContact OD1-CZ 3.28Å; D68-R71 IonicContact OD1-NH1 2.84Å; D68-R71 PolarHBondContact OD1-NH1 2.99Å; D68-R71 IonicContact OD1-NH2 3.92Å; D68-R71 PolarHBondContact OD1-NH2 3.23Å; D68-V72 PolarHBondContact O-N 2.9Å
69R80.8Confident75.1Confident54 Ų5460.5 Ų60.520%0.20430%0.302CS..Hα-helixtrans-58-50.1174.8-158.4-176.880.8-116.6-1.4110.7E11 G44 S65 E66 R71 V72 I73E11-R69 IonicContact OE1-CZ 2.65Å; E11-R69 IonicContact OE1-NE 3.38Å; E11-R69 PolarHBondContact OE1-NE 3.04Å; E11-R69 IonicContact OE1-NH2 3.5Å; E11-R69 PolarHBondContact OE1-NH2 3.39Å; E11-R69 IonicContact OE2-CZ 2.81Å; E11-R69 IonicContact OE2-NE 3.03Å; E11-R69 PolarHBondContact OE2-NE 3.42Å; E11-R69 IonicContact OE2-NH2 2.6Å; E11-R69 PolarHBondContact OE2-NH2 3.22Å; G44-R69 VanDerWaalsContact O-CG 3.31Å; G44-R69 WeakPolarHBondContact O-CG 3.33Å; S65-R69 PolarHBondContact O-N 3.3Å; E66-R69 WeakPolarHBondContact O-CB 3.34Å; E66-R69 PolarHBondContact O-N 3.18Å; E66-R69 IonicContact OE1-CZ 2.79Å; E66-R69 IonicContact OE1-NH1 4Å; E66-R69 PolarHBondContact OE1-NH1 3.02Å; E66-R69 IonicContact OE1-NH2 3.12Å; E66-R69 PolarHBondContact OE1-NH2 3.17Å; R69-R71 VanDerWaalsContact C-N 3.34Å; R69-R71 PolarHBondContact O-N 2.89Å; R69-V72 PolarHBondContact O-N 3.42Å; R69-I73 HydrophobicContact CG-CD1 3.88Å; R69-I73 WeakPolarHBondContact O-CG1 3.13Å; R69-I73 PolarHBondContact O-N 2.81Å
70E84.7Confident77.4Confident97 Ų9755.8 Ų55.845%0.45327%0.268SS..Hα-helixtrans-58.9-40.3179.3-166.7-168.3167.800112.6E66 K74E66-E70 WeakPolarHBondContact O-CB 3.39Å; E66-E70 PolarHBondContact O-N 2.93Å; E70-K74 HydrophobicContact CG-CD 4.21Å; E70-K74 WeakPolarHBondContact O-CB 3.44Å; E70-K74 WeakPolarHBondContact O-CG 3.42Å; E70-K74 PolarHBondContact O-N 3.41Å; E70-K74 WeakPolarHBondContact OE1-CE 3.42Å; E70-K74 IonicContact OE1-NZ 3.27Å; E70-K74 PolarHBondContact OE1-NZ 3.45Å
71R85.1Confident79.3Confident80 Ų8054.2 Ų54.230%0.30226%0.256SS..Hα-helixtrans-65.5-42.2177.1-73.5-170-44.1-81.911.3112.8E67 D68 R69 W75 H812E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 2.84Å; E67-R71 PolarHBondContact O-NH1 3.35Å; D68-R71 PolarHBondContact O-N 3.33Å; D68-R71 IonicContact OD1-CZ 3.52Å; D68-R71 VanDerWaalsContact OD1-CZ 3.28Å; D68-R71 IonicContact OD1-NH1 2.84Å; D68-R71 PolarHBondContact OD1-NH1 2.99Å; D68-R71 IonicContact OD1-NH2 3.92Å; D68-R71 PolarHBondContact OD1-NH2 3.23Å; R69-R71 VanDerWaalsContact C-N 3.34Å; R69-R71 PolarHBondContact O-N 2.89Å; R71-W75 PolarHBondContact O-N 2.88Å; R71-H812 PolarHBondContact NH2-O 3.35Å
72V88.1Confident81.2Confident9 Ų948.8 Ų48.86%0.05524%0.243CC..Hα-helixtrans-72.7-34.6179.4-176.30000111.2F46 D68 R69 W75 A76 F807 A811F46-V72 HydrophobicContact CB-CG1 4.15Å; F46-V72 HydrophobicContact CD2-CB 4.23Å; F46-V72 HydrophobicContact CD2-CG1 3.41Å; F46-V72 VanDerWaalsContact CD2-CG1 3.41Å; F46-V72 HydrophobicContact CE2-CG1 3.91Å; F46-V72 HydrophobicContact CG-CG1 3.86Å; D68-V72 PolarHBondContact O-N 2.9Å; R69-V72 PolarHBondContact O-N 3.42Å; V72-W75 HydrophobicContact CG1-CE3 4.26Å; V72-W75 PolarHBondContact O-N 3.4Å; V72-A76 PolarHBondContact O-N 3.07Å; V72-F807 HydrophobicContact CG1-CE2 4.15Å; V72-A811 HydrophobicContact CG2-CB 4.36Å
73I88.5Confident82.9Confident8 Ų848.2 Ų48.24%0.04124%0.24CC..Hα-helixtrans-64.6-47173.5-69163.9000110.7L10 E11 F46 R69 W75 A76 E77L10-I73 HydrophobicContact CB-CG2 4.47Å; E11-I73 HydrophobicContact CB-CD1 4.05Å; E11-I73 HydrophobicContact CB-CG2 4.45Å; E11-I73 VanDerWaalsContact CD-CD1 3.44Å; E11-I73 HydrophobicContact CG-CD1 4.03Å; E11-I73 WeakPolarHBondContact OE1-CD1 3.19Å; F46-I73 HydrophobicContact CE2-CG1 3.99Å; R69-I73 HydrophobicContact CG-CD1 3.88Å; R69-I73 WeakPolarHBondContact O-CG1 3.13Å; R69-I73 PolarHBondContact O-N 2.81Å; I73-W75 VanDerWaalsContact C-N 3.27Å; I73-W75 PolarHBondContact O-N 3.31Å; I73-A76 CarbonylContact O-C 3.58Å; I73-A76 WeakPolarHBondContact O-CA 3.47Å; I73-A76 WeakPolarHBondContact O-CB 3.4Å; I73-A76 PolarHBondContact O-N 3.2Å; I73-E77 WeakPolarHBondContact O-CG 3.45Å; I73-E77 PolarHBondContact O-N 3.3Å
74K88.3Confident84.8Confident110 Ų11047.7 Ų47.748%0.47823%0.234SC..Hα-helixtrans-63.3-30.2176-75174.3173.9176.20113.7E70 S78E70-K74 HydrophobicContact CG-CD 4.21Å; E70-K74 WeakPolarHBondContact O-CB 3.44Å; E70-K74 WeakPolarHBondContact O-CG 3.42Å; E70-K74 PolarHBondContact O-N 3.41Å; E70-K74 WeakPolarHBondContact OE1-CE 3.42Å; E70-K74 IonicContact OE1-NZ 3.27Å; E70-K74 PolarHBondContact OE1-NZ 3.45Å; K74-S78 PolarHBondContact O-N 2.89Å; K74-S78 PolarHBondContact O-OG 2.67Å
75W91.9Very high86Confident15 Ų1544.2 Ų44.26%0.05722%0.216CC..Hα-helixtrans-68.3-41.2168.8167.385.8000112L37 R71 V72 I73 E77 S78 E79 R80 F807 A810L37-W75 HydrophobicContact CD1-CH2 3.73Å; L37-W75 HydrophobicContact CD1-CZ3 3.98Å; R71-W75 PolarHBondContact O-N 2.88Å; V72-W75 HydrophobicContact CG1-CE3 4.26Å; V72-W75 PolarHBondContact O-N 3.4Å; I73-W75 VanDerWaalsContact C-N 3.27Å; I73-W75 PolarHBondContact O-N 3.31Å; W75-E77 VanDerWaalsContact C-N 3.35Å; W75-S78 PolarHBondContact O-N 2.79Å; W75-S78 PolarHBondContact O-OG 3.04Å; W75-E79 PolarHBondContact O-N 2.89Å; W75-R80 HydrophobicContact CH2-CG 3.75Å; W75-R80 HydrophobicContact CZ2-CG 4.23Å; W75-R80 HydrophobicContact CZ3-CG 3.96Å; W75-F807 HydrophobicContact CD2-CD2 4.44Å; W75-F807 HydrophobicContact CE3-CD2 4.1Å; W75-F807 HydrophobicContact CH2-CB 4.25Å; W75-F807 AromaticContact CH2-CD2 3.62Å; W75-F807 HydrophobicContact CH2-CD2 3.62Å; W75-F807 HydrophobicContact CH2-CE2 4.48Å; W75-F807 HydrophobicContact CH2-CG 4.36Å; W75-F807 HydrophobicContact CZ2-CB 3.83Å; W75-F807 AromaticContact CZ2-CD2 3.98Å; W75-F807 HydrophobicContact CZ2-CD2 3.98Å; W75-F807 HydrophobicContact CZ2-CG 4.4Å; W75-F807 AromaticContact CZ3-CD2 3.69Å; W75-F807 HydrophobicContact CZ3-CD2 3.69Å; W75-F807 HydrophobicContact CZ3-CE2 4.23Å; W75-A810 HydrophobicContact CB-CB 3.46Å; W75-A810 VanDerWaalsContact CB-CB 3.46Å; W75-A810 HydrophobicContact CD2-CB 4.4Å; W75-A810 HydrophobicContact CG-CB 3.6Å
76A91.3Very high86.7Confident0 Ų048.9 Ų48.90%023%0.229CC..Hα-helixtrans-65.5-37.617500000111.8L10 F46 V72 I73 S78 R80 L81L10-A76 HydrophobicContact CD2-CB 3.84Å; F46-A76 HydrophobicContact CE1-CB 4.41Å; F46-A76 HydrophobicContact CZ-CB 3.92Å; V72-A76 PolarHBondContact O-N 3.07Å; I73-A76 CarbonylContact O-C 3.58Å; I73-A76 WeakPolarHBondContact O-CA 3.47Å; I73-A76 WeakPolarHBondContact O-CB 3.4Å; I73-A76 PolarHBondContact O-N 3.2Å; A76-S78 VanDerWaalsContact C-N 3.33Å; A76-S78 PolarHBondContact O-N 3.12Å; A76-R80 HydrophobicContact CB-CB 4.5Å; A76-R80 CarbonylContact O-C 3.53Å; A76-R80 WeakPolarHBondContact O-CA 3.41Å; A76-R80 WeakPolarHBondContact O-CB 3.3Å; A76-R80 PolarHBondContact O-N 2.79Å; A76-R80 VanDerWaalsContact O-N 3.13Å; A76-L81 WeakPolarHBondContact O-CB 3.48Å; A76-L81 PolarHBondContact O-N 3.44Å
77E90.2Very high87.2Confident61 Ų6142.9 Ų42.929%0.28520%0.201SC..Hα-helixtrans-62.9-35174.2-72.6178.2150.200113.2L10 I73 W75 P82L10-E77 HydrophobicContact CB-CG 3.5Å; L10-E77 WeakPolarHBondContact CB-OE1 3.47Å; L10-E77 HydrophobicContact CD2-CG 3.7Å; L10-E77 HydrophobicContact CG-CG 4.25Å; L10-E77 PolarHBondContact N-OE1 3.43Å; I73-E77 WeakPolarHBondContact O-CG 3.45Å; I73-E77 PolarHBondContact O-N 3.3Å; W75-E77 VanDerWaalsContact C-N 3.35Å; E77-P82 WeakPolarHBondContact O-CD 2.81Å
78S88.1Confident87.4Confident68 Ų6839.4 Ų39.448%0.47619%0.185SC..Hα-helixtrans-92.8-40-17650.20000114.6K74 W75 A76K74-S78 PolarHBondContact O-N 2.89Å; K74-S78 PolarHBondContact O-OG 2.67Å; W75-S78 PolarHBondContact O-N 2.79Å; W75-S78 PolarHBondContact O-OG 3.04Å; A76-S78 VanDerWaalsContact C-N 3.33Å; A76-S78 PolarHBondContact O-N 3.12Å
79E89.7Confident87.8Confident30 Ų3038.8 Ų38.814%0.1418%0.182CC..Hα-helixtrans-119.610-171.7-64.1-73.8-158.700114.2W75 Y83 R702W75-E79 PolarHBondContact O-N 2.89Å; E79-Y83 WeakPolarHBondContact O-CD2 3.28Å; E79-Y83 WeakPolarHBondContact O-CE2 3.33Å; E79-R702 VanDerWaalsContact CD-NH1 3.34Å; E79-R702 IonicContact OE1-CZ 2.75Å; E79-R702 IonicContact OE1-NH1 3.83Å; E79-R702 PolarHBondContact OE1-NH1 3.05Å; E79-R702 IonicContact OE1-NH2 3.19Å; E79-R702 IonicContact OE2-CZ 2.67Å; E79-R702 IonicContact OE2-NH1 2.96Å; E79-R702 PolarHBondContact OE2-NH1 3.23Å; E79-R702 IonicContact OE2-NH2 2.75Å; E79-R702 PolarHBondContact OE2-NH2 3.47Å
80R91.2Very high88.1Confident5 Ų537 Ų372%0.01918%0.175CC..THydrogen-bonded Turntrans-131.1-48.7171.8-66.6-64.4-173.8-102.99.4113.5F24 F27 L28 F33 W75 A76 Y83 F84 D803F24-R80 HydrophobicContact CZ-CB 4.28Å; F27-R80 HydrophobicContact CE1-CB 4.21Å; F27-R80 WeakPolarHBondContact CE1-O 3.37Å; F27-R80 WeakPolarHBondContact CZ-O 3.47Å; L28-R80 HydrophobicContact CD2-CB 4.19Å; L28-R80 HydrophobicContact CD2-CG 3.85Å; F33-R80 VanDerWaalsContact CD1-NH2 3.32Å; W75-R80 HydrophobicContact CH2-CG 3.75Å; W75-R80 HydrophobicContact CZ2-CG 4.23Å; W75-R80 HydrophobicContact CZ3-CG 3.96Å; A76-R80 HydrophobicContact CB-CB 4.5Å; A76-R80 CarbonylContact O-C 3.53Å; A76-R80 WeakPolarHBondContact O-CA 3.41Å; A76-R80 WeakPolarHBondContact O-CB 3.3Å; A76-R80 PolarHBondContact O-N 2.79Å; A76-R80 VanDerWaalsContact O-N 3.13Å; R80-Y83 PolarHBondContact O-N 3.12Å; R80-F84 PolarHBondContact O-N 3.3Å; R80-D803 IonicContact CZ-OD1 2.99Å; R80-D803 IonicContact CZ-OD2 3.1Å; R80-D803 IonicContact NH1-OD1 3.31Å; R80-D803 PolarHBondContact NH1-OD1 3.06Å; R80-D803 IonicContact NH2-OD1 2.69Å; R80-D803 PolarHBondContact NH2-OD1 2.77Å; R80-D803 IonicContact NH2-OD2 2.91Å; R80-D803 PolarHBondContact NH2-OD2 2.98Å
81L89.8Confident88Confident22 Ų2233 Ų3312%0.11516%0.156CC..Hα-helixtrans-59.1-39.8-177-176.161.2000114.2L10 F20 A76 Y83 F84 M85L10-L81 HydrophobicContact CD1-CD1 4.17Å; L10-L81 HydrophobicContact CD1-CD2 4.32Å; F20-L81 HydrophobicContact CZ-CD1 4.31Å; A76-L81 WeakPolarHBondContact O-CB 3.48Å; A76-L81 PolarHBondContact O-N 3.44Å; L81-Y83 VanDerWaalsContact C-N 3.35Å; L81-Y83 PolarHBondContact O-N 3.01Å; L81-F84 HydrophobicContact CD1-CD1 4.21Å; L81-F84 WeakPolarHBondContact O-CB 3.01Å; L81-F84 PolarHBondContact O-N 3.46Å; L81-M85 HydrophobicContact CD1-CE 4Å; L81-M85 HydrophobicContact CD1-CG 4.4Å; L81-M85 HydrophobicContact CD2-CE 3.94Å; L81-M85 HydrophobicContact CG-CE 3.65Å; L81-M85 WeakPolarHBondContact O-CG 3.38Å; L81-M85 PolarHBondContact O-N 2.87Å
82P88.9Confident88.1Confident58 Ų5831.4 Ų31.438%0.37715%0.152SC..Hα-helixtrans-66.5-36.1178.6-22.335.5000112.9E77 R86E77-P82 WeakPolarHBondContact O-CD 2.81Å; P82-R86 WeakPolarHBondContact O-CG 3.34Å; P82-R86 PolarHBondContact O-N 3.48Å
83Y90Very high88.2Confident15 Ų1531 Ų316%0.05915%0.15CC..Hα-helixtrans-71.9-41.1174.2-54.9-56000110.8E79 R80 L81 M85 R86 S87 A692 P695 S698 R702E79-Y83 WeakPolarHBondContact O-CD2 3.28Å; E79-Y83 WeakPolarHBondContact O-CE2 3.33Å; R80-Y83 PolarHBondContact O-N 3.12Å; L81-Y83 VanDerWaalsContact C-N 3.35Å; L81-Y83 PolarHBondContact O-N 3.01Å; Y83-M85 PolarHBondContact O-N 2.79Å; Y83-R86 CarbonylContact O-C 3.55Å; Y83-R86 PolarHBondContact O-N 2.76Å; Y83-S87 PolarHBondContact O-N 3.36Å; Y83-A692 CarbonylContact C-O 3.55Å; Y83-A692 VanDerWaalsContact O-O 3.12Å; Y83-P695 HydrophobicContact CD1-CB 4.03Å; Y83-P695 HydrophobicContact CD2-CB 3.9Å; Y83-P695 HydrophobicContact CE1-CB 4.21Å; Y83-P695 HydrophobicContact CE2-CB 4.06Å; Y83-P695 HydrophobicContact CG-CB 3.88Å; Y83-S698 WeakPolarHBondContact CE1-OG 3.28Å; Y83-R702 PolarHBondContact OH-NH2 2.7Å
84F90.1Very high88Confident0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-54.7-50.2172.7-178-122.6000111.2F20 F23 F24 F27 R80 L81 R86 S87 T89 Y90 L93F20-F84 HydrophobicContact CD2-CE1 4.24Å; F20-F84 HydrophobicContact CE2-CD1 4.38Å; F20-F84 AromaticContact CE2-CE1 3.69Å; F20-F84 HydrophobicContact CE2-CE1 3.69Å; F20-F84 HydrophobicContact CZ-CD1 4.43Å; F20-F84 HydrophobicContact CZ-CE1 4Å; F23-F84 HydrophobicContact CB-CZ 4.24Å; F24-F84 HydrophobicContact CB-CE1 4.46Å; F24-F84 HydrophobicContact CB-CZ 4.24Å; F24-F84 HydrophobicContact CD2-CB 4.21Å; F24-F84 AromaticContact CD2-CD1 3.65Å; F24-F84 HydrophobicContact CD2-CD1 3.65Å; F24-F84 HydrophobicContact CD2-CD2 4.07Å; F24-F84 AromaticContact CD2-CE1 3.91Å; F24-F84 HydrophobicContact CD2-CE1 3.91Å; F24-F84 HydrophobicContact CD2-CE2 4.3Å; F24-F84 AromaticContact CD2-CG 3.72Å; F24-F84 HydrophobicContact CD2-CG 3.72Å; F24-F84 HydrophobicContact CD2-CZ 4.22Å; F24-F84 HydrophobicContact CE2-CB 4.07Å; F24-F84 HydrophobicContact CE2-CD1 4.14Å; F24-F84 HydrophobicContact CE2-CG 4.09Å; F27-F84 HydrophobicContact CB-CD2 3.62Å; F27-F84 HydrophobicContact CB-CE2 3.86Å; F27-F84 HydrophobicContact CD1-CB 3.95Å; F27-F84 AromaticContact CD1-CD2 3.84Å; F27-F84 HydrophobicContact CD1-CD2 3.84Å; F27-F84 HydrophobicContact CD1-CG 4.22Å; F27-F84 HydrophobicContact CD2-CB 4.38Å; F27-F84 AromaticContact CD2-CD2 3.85Å; F27-F84 HydrophobicContact CD2-CD2 3.85Å; F27-F84 HydrophobicContact CE1-CB 3.75Å; F27-F84 HydrophobicContact CE1-CD2 4.47Å; F27-F84 HydrophobicContact CE2-CB 4.2Å; F27-F84 HydrophobicContact CE2-CD2 4.47Å; F27-F84 HydrophobicContact CG-CB 4.27Å; F27-F84 AromaticContact CG-CD2 3.49Å; F27-F84 HydrophobicContact CG-CD2 3.49Å; F27-F84 VanDerWaalsContact CG-CD2 3.49Å; F27-F84 HydrophobicContact CG-CE2 4.25Å; F27-F84 HydrophobicContact CG-CG 4.28Å; F27-F84 HydrophobicContact CZ-CB 3.87Å; R80-F84 PolarHBondContact O-N 3.3Å; L81-F84 HydrophobicContact CD1-CD1 4.21Å; L81-F84 WeakPolarHBondContact O-CB 3.01Å; L81-F84 PolarHBondContact O-N 3.46Å; F84-R86 PolarHBondContact O-N 3.45Å; F84-R86 VanDerWaalsContact O-N 3.11Å; F84-S87 VanDerWaalsContact O-CB 3.26Å; F84-S87 WeakPolarHBondContact O-CB 3.4Å; F84-S87 PolarHBondContact O-N 3.07Å; F84-S87 PolarHBondContact O-OG 2.83Å; F84-T89 HydrophobicContact CE2-CG2 3.99Å; F84-Y90 HydrophobicContact CD1-CD2 4.02Å; F84-Y90 AromaticContact CE1-CD2 3.64Å; F84-Y90 HydrophobicContact CE1-CD2 3.64Å; F84-Y90 HydrophobicContact CE1-CE2 4.43Å; F84-Y90 HydrophobicContact CE1-CG 4.44Å; F84-Y90 HydrophobicContact CZ-CD2 4.1Å; F84-Y90 WeakPolarHBondContact O-CB 3.35Å; F84-L93 HydrophobicContact CE1-CD2 4.32Å; F84-L93 HydrophobicContact CZ-CD2 4.02Å
85M85.8Confident87.9Confident40 Ų4027.4 Ų27.420%0.19714%0.136CC..Hα-helixtrans-61.5-20.5178.4-66.8-160.8-137.200114.5M1 L4 L81 Y83 Y90M1-M85 HydrophobicContact CE-SD 3.64Å; M1-M85 HydrophobicContact SD-SD 3.96Å; L4-M85 HydrophobicContact CB-CE 4.38Å; L4-M85 HydrophobicContact CD1-CE 3.73Å; L4-M85 HydrophobicContact CD1-CG 3.98Å; L4-M85 HydrophobicContact CD1-SD 3.7Å; L81-M85 HydrophobicContact CD1-CE 4Å; L81-M85 HydrophobicContact CD1-CG 4.4Å; L81-M85 HydrophobicContact CD2-CE 3.94Å; L81-M85 HydrophobicContact CG-CE 3.65Å; L81-M85 WeakPolarHBondContact O-CG 3.38Å; L81-M85 PolarHBondContact O-N 2.87Å; Y83-M85 PolarHBondContact O-N 2.79Å; M85-Y90 HydrophobicContact CB-CD1 4.4Å; M85-Y90 HydrophobicContact CB-CE1 4.39Å; M85-Y90 HydrophobicContact CG-CE1 4.49Å; M85-Y90 WeakPolarHBondContact O-CD1 3.14Å
86R83Confident87.8Confident124 Ų12426.7 Ų26.747%0.46813%0.133SC..Hα-helixtrans-92.4-18.8173.6-68.7171.365.1179.8-3.3113.1P82 Y83 F84 R91 G693P82-R86 WeakPolarHBondContact O-CG 3.34Å; P82-R86 PolarHBondContact O-N 3.48Å; Y83-R86 CarbonylContact O-C 3.55Å; Y83-R86 PolarHBondContact O-N 2.76Å; F84-R86 PolarHBondContact O-N 3.45Å; F84-R86 VanDerWaalsContact O-N 3.11Å; R86-R91 PolarHBondContact O-NH1 3.34Å; R86-G693 PolarHBondContact NE-O 2.94Å
87S87.1Confident87.5Confident0 Ų029.4 Ų29.40%015%0.145CC..SBendtrans-67152.4-174.176.70000113.4Y83 F84 T89 Y90 R91 I691Y83-S87 PolarHBondContact O-N 3.36Å; F84-S87 VanDerWaalsContact O-CB 3.26Å; F84-S87 WeakPolarHBondContact O-CB 3.4Å; F84-S87 PolarHBondContact O-N 3.07Å; F84-S87 PolarHBondContact O-OG 2.83Å; S87-T89 PolarHBondContact O-N 2.98Å; S87-T89 PolarHBondContact OG-N 3.21Å; S87-Y90 PolarHBondContact O-N 2.77Å; S87-Y90 PolarHBondContact OG-N 3.28Å; S87-R91 PolarHBondContact O-N 2.78Å; S87-R91 PolarHBondContact O-NH1 2.96Å; S87-I691 CarbonylContact C-O 3.55Å; S87-I691 VanDerWaalsContact CA-O 3.25Å; S87-I691 WeakPolarHBondContact CA-O 3.33Å; S87-I691 WeakPolarHBondContact CB-O 3.32Å
88D83.6Confident87.2Confident18 Ų1827.7 Ų27.710%0.09614%0.139CC..Hα-helixtrans-58.6-32.9168-76.717.3000110.9Y90 R91 E92 R390 I691D88-Y90 VanDerWaalsContact C-N 3.35Å; D88-Y90 PolarHBondContact O-N 2.86Å; D88-R91 PolarHBondContact O-N 3.28Å; D88-R91 IonicContact OD1-CZ 3.92Å; D88-R91 VanDerWaalsContact OD1-CZ 3.27Å; D88-R91 IonicContact OD1-NH1 2.84Å; D88-R91 PolarHBondContact OD1-NH1 2.89Å; D88-R91 IonicContact OD1-NH2 2.75Å; D88-R91 PolarHBondContact OD1-NH2 3.22Å; D88-R91 IonicContact OD2-NH2 2.6Å; D88-E92 WeakPolarHBondContact O-CG 3.49Å; D88-E92 PolarHBondContact O-N 2.79Å; D88-R390 VanDerWaalsContact CG-NH2 3.34Å; D88-R390 IonicContact OD1-CZ 2.68Å; D88-R390 IonicContact OD1-NH1 2.65Å; D88-R390 PolarHBondContact OD1-NH1 2.82Å; D88-R390 VanDerWaalsContact OD1-NH1 3.12Å; D88-R390 IonicContact OD1-NH2 3.33Å; D88-R390 PolarHBondContact OD1-NH2 2.83Å; D88-R390 IonicContact OD2-CZ 3.83Å; D88-R390 VanDerWaalsContact OD2-CZ 3.22Å; D88-R390 IonicContact OD2-NH1 3.37Å; D88-R390 PolarHBondContact OD2-NH1 3.46Å; D88-R390 IonicContact OD2-NH2 3.04Å; D88-R390 PolarHBondContact OD2-NH2 3.32Å; D88-I691 HydrophobicContact CB-CG2 3.94Å; D88-I691 PolarHBondContact N-O 3.13Å
89T87.4Confident87.1Confident0 Ų024.4 Ų24.40%012%0.117CC..Hα-helixtrans-63.6-36.7179.3-57.90000112.2F23 F26 F27 F84 S87 L93F23-T89 HydrophobicContact CB-CG2 4.24Å; F23-T89 HydrophobicContact CD1-CG2 3.79Å; F23-T89 VanDerWaalsContact CD1-O 3.27Å; F23-T89 WeakPolarHBondContact CD1-O 3.4Å; F23-T89 HydrophobicContact CG-CG2 4.5Å; F23-T89 WeakPolarHBondContact O-CG2 3.22Å; F26-T89 HydrophobicContact CD1-CG2 3.92Å; F27-T89 HydrophobicContact CB-CG2 4.22Å; F84-T89 HydrophobicContact CE2-CG2 3.99Å; S87-T89 PolarHBondContact O-N 2.98Å; S87-T89 PolarHBondContact OG-N 3.21Å; T89-L93 PolarHBondContact O-N 3.12Å
90Y88.2Confident86.8Confident16 Ų1624.2 Ų24.26%0.06312%0.117CC..Hα-helixtrans-74.1-30.7175.3178.9-108.2000112.6L4 F84 M85 S87 D88 L93 L94L4-Y90 HydrophobicContact CD1-CE2 3.93Å; F84-Y90 HydrophobicContact CD1-CD2 4.02Å; F84-Y90 AromaticContact CE1-CD2 3.64Å; F84-Y90 HydrophobicContact CE1-CD2 3.64Å; F84-Y90 HydrophobicContact CE1-CE2 4.43Å; F84-Y90 HydrophobicContact CE1-CG 4.44Å; F84-Y90 HydrophobicContact CZ-CD2 4.1Å; F84-Y90 WeakPolarHBondContact O-CB 3.35Å; M85-Y90 HydrophobicContact CB-CD1 4.4Å; M85-Y90 HydrophobicContact CB-CE1 4.39Å; M85-Y90 HydrophobicContact CG-CE1 4.49Å; M85-Y90 WeakPolarHBondContact O-CD1 3.14Å; S87-Y90 PolarHBondContact O-N 2.77Å; S87-Y90 PolarHBondContact OG-N 3.28Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; D88-Y90 PolarHBondContact O-N 2.86Å; Y90-L93 HydrophobicContact CD2-CD2 4.11Å; Y90-L93 HydrophobicContact CE2-CD2 4.47Å; Y90-L93 WeakPolarHBondContact O-CB 3.42Å; Y90-L93 PolarHBondContact O-N 3.07Å; Y90-L94 HydrophobicContact CD1-CD1 4.01Å; Y90-L94 HydrophobicContact CD1-CG 4.36Å; Y90-L94 HydrophobicContact CE1-CD1 3.57Å; Y90-L94 HydrophobicContact CE1-CD2 4.48Å; Y90-L94 HydrophobicContact CE1-CG 4.03Å; Y90-L94 HydrophobicContact CE2-CG 4.48Å; Y90-L94 WeakPolarHBondContact O-CG 3.33Å; Y90-L94 PolarHBondContact O-N 3.22Å
91R82.6Confident86.2Confident14 Ų1425.1 Ų25.15%0.05313%0.126CC..Hα-helixtrans-74.7-36175.5-55.1-166-44.6-77.5-7.6111.5R86 S87 D88 L93 L94 L95 D386 D389 R390R86-R91 PolarHBondContact O-NH1 3.34Å; S87-R91 PolarHBondContact O-N 2.78Å; S87-R91 PolarHBondContact O-NH1 2.96Å; D88-R91 PolarHBondContact O-N 3.28Å; D88-R91 IonicContact OD1-CZ 3.92Å; D88-R91 VanDerWaalsContact OD1-CZ 3.27Å; D88-R91 IonicContact OD1-NH1 2.84Å; D88-R91 PolarHBondContact OD1-NH1 2.89Å; D88-R91 IonicContact OD1-NH2 2.75Å; D88-R91 PolarHBondContact OD1-NH2 3.22Å; D88-R91 IonicContact OD2-NH2 2.6Å; R91-L93 VanDerWaalsContact C-N 3.35Å; R91-L94 PolarHBondContact O-N 3.09Å; R91-L95 WeakPolarHBondContact O-CB 3.38Å; R91-L95 PolarHBondContact O-N 3.11Å; R91-D386 IonicContact CZ-OD1 3.42Å; R91-D386 VanDerWaalsContact CZ-OD1 3.26Å; R91-D386 IonicContact NE-OD1 3.38Å; R91-D386 PolarHBondContact NE-OD1 3.11Å; R91-D386 IonicContact NH2-OD1 3.41Å; R91-D386 PolarHBondContact NH2-OD1 3.29Å; R91-D386 IonicContact NH2-OD2 3.23Å; R91-D386 PolarHBondContact NH2-OD2 3.09Å; R91-D386 VanDerWaalsContact NH2-OD2 3.16Å; R91-D389 WeakPolarHBondContact CD-OD2 3.38Å; R91-R390 VanDerWaalsContact NH2-NH2 3.12Å
92E87Confident85.2Confident46 Ų4627.8 Ų27.822%0.21514%0.144CC..Hα-helixtrans-57.7-43.7164.1-68.4170.1176.500111.7F23 D88 L95 C96 R363F23-E92 HydrophobicContact CD1-CB 4.47Å; F23-E92 HydrophobicContact CE1-CB 3.69Å; D88-E92 WeakPolarHBondContact O-CG 3.49Å; D88-E92 PolarHBondContact O-N 2.79Å; E92-L95 PolarHBondContact O-N 3.08Å; E92-C96 VanDerWaalsContact O-CB 3.25Å; E92-C96 WeakPolarHBondContact O-CB 3.3Å; E92-C96 PolarHBondContact O-N 2.66Å; E92-R363 VanDerWaalsContact CD-NH2 3.26Å; E92-R363 IonicContact OE1-CZ 3.31Å; E92-R363 IonicContact OE1-NH2 3.17Å; E92-R363 PolarHBondContact OE1-NH2 2.73Å; E92-R363 IonicContact OE2-CZ 3.64Å; E92-R363 IonicContact OE2-NE 2.68Å; E92-R363 PolarHBondContact OE2-NE 3.41Å; E92-R363 IonicContact OE2-NH2 2.74Å; E92-R363 PolarHBondContact OE2-NH2 3.17Å
93L88.7Confident83.6Confident1 Ų127.9 Ų27.91%0.00514%0.141CC..Hα-helixtrans-61.9-45.4175.8174.663.6000112.1L19 F20 F23 F84 T89 Y90 R91 L95 C96 K97L19-L93 HydrophobicContact CB-CD1 4.32Å; L19-L93 HydrophobicContact CD2-CD1 3.74Å; L19-L93 HydrophobicContact CG-CD1 3.61Å; F20-L93 HydrophobicContact CD2-CD2 3.92Å; F23-L93 HydrophobicContact CB-CB 4.15Å; F23-L93 HydrophobicContact CB-CD1 4.17Å; F23-L93 HydrophobicContact CB-CD2 4.2Å; F23-L93 HydrophobicContact CB-CG 4.4Å; F23-L93 HydrophobicContact CD1-CB 3.77Å; F23-L93 HydrophobicContact CD2-CB 4.38Å; F23-L93 HydrophobicContact CD2-CD1 3.71Å; F23-L93 HydrophobicContact CE1-CB 4.19Å; F23-L93 HydrophobicContact CE2-CD1 4.17Å; F23-L93 HydrophobicContact CG-CB 3.85Å; F23-L93 HydrophobicContact CG-CD1 3.92Å; F23-L93 HydrophobicContact CG-CG 4.35Å; F84-L93 HydrophobicContact CE1-CD2 4.32Å; F84-L93 HydrophobicContact CZ-CD2 4.02Å; T89-L93 PolarHBondContact O-N 3.12Å; Y90-L93 HydrophobicContact CD2-CD2 4.11Å; Y90-L93 HydrophobicContact CE2-CD2 4.47Å; Y90-L93 WeakPolarHBondContact O-CB 3.42Å; Y90-L93 PolarHBondContact O-N 3.07Å; R91-L93 VanDerWaalsContact C-N 3.35Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 2.92Å; L93-C96 PolarHBondContact O-N 3.34Å; L93-K97 HydrophobicContact CD1-CD 4.41Å; L93-K97 HydrophobicContact CD1-CG 4.27Å; L93-K97 HydrophobicContact CG-CD 4.48Å; L93-K97 WeakPolarHBondContact O-CB 3.34Å; L93-K97 WeakPolarHBondContact O-CG 3.5Å; L93-K97 PolarHBondContact O-N 3.46Å
94L86Confident81.9Confident39 Ų3931.4 Ų31.420%0.20416%0.158CC..Hα-helixtrans-62.6-39.5176.7-73.4177.6000111.7Y90 R91 S98 W385Y90-L94 HydrophobicContact CD1-CD1 4.01Å; Y90-L94 HydrophobicContact CD1-CG 4.36Å; Y90-L94 HydrophobicContact CE1-CD1 3.57Å; Y90-L94 HydrophobicContact CE1-CD2 4.48Å; Y90-L94 HydrophobicContact CE1-CG 4.03Å; Y90-L94 HydrophobicContact CE2-CG 4.48Å; Y90-L94 WeakPolarHBondContact O-CG 3.33Å; Y90-L94 PolarHBondContact O-N 3.22Å; R91-L94 PolarHBondContact O-N 3.09Å; L94-S98 VanDerWaalsContact O-CB 3.23Å; L94-S98 WeakPolarHBondContact O-CB 3.19Å; L94-S98 PolarHBondContact O-N 2.85Å; L94-S98 PolarHBondContact O-OG 3.5Å; L94-W385 HydrophobicContact CB-CH2 3.92Å
95L86.2Confident79.5Confident4 Ų436.8 Ų36.82%0.02119%0.186CC..Hα-helixtrans-67.5-41.9174.2-174.852.5000111.3R91 E92 L93 S98 L99 M366 V382 W385 L446R91-L95 WeakPolarHBondContact O-CB 3.38Å; R91-L95 PolarHBondContact O-N 3.11Å; E92-L95 PolarHBondContact O-N 3.08Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 2.92Å; L95-S98 CarbonylContact O-C 3.59Å; L95-S98 WeakPolarHBondContact O-CA 3.47Å; L95-S98 WeakPolarHBondContact O-CB 3.25Å; L95-S98 PolarHBondContact O-N 3.25Å; L95-S98 VanDerWaalsContact O-N 3.14Å; L95-L99 HydrophobicContact CD1-CD1 4.12Å; L95-L99 HydrophobicContact CD1-CG 4.05Å; L95-L99 HydrophobicContact CG-CD1 3.92Å; L95-L99 HydrophobicContact CG-CG 4.33Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.11Å; L95-M366 HydrophobicContact CB-CE 4.02Å; L95-M366 HydrophobicContact CD2-CE 3.51Å; L95-M366 HydrophobicContact CG-CE 3.62Å; L95-V382 HydrophobicContact CD2-CB 4.39Å; L95-V382 HydrophobicContact CD2-CG1 3.47Å; L95-V382 VanDerWaalsContact CD2-CG1 3.47Å; L95-V382 HydrophobicContact CD2-CG2 4.13Å; L95-W385 HydrophobicContact CB-CE3 4.15Å; L95-W385 HydrophobicContact CB-CH2 3.73Å; L95-W385 HydrophobicContact CB-CZ2 4.38Å; L95-W385 HydrophobicContact CB-CZ3 3.6Å; L95-W385 HydrophobicContact CD1-CD2 3.99Å; L95-W385 HydrophobicContact CD1-CE3 4.11Å; L95-W385 HydrophobicContact CD1-CH2 4.36Å; L95-W385 HydrophobicContact CD1-CZ2 4.22Å; L95-W385 HydrophobicContact CD1-CZ3 4.31Å; L95-W385 HydrophobicContact CD2-CE3 4.21Å; L95-W385 HydrophobicContact CD2-CZ3 4.44Å; L95-W385 HydrophobicContact CG-CE3 4.39Å; L95-W385 HydrophobicContact CG-CZ3 4.32Å; L95-L446 HydrophobicContact CD1-CD1 4.15Å
96C88.1Confident77.5Confident0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-60.5-51.5177.3-162.70000111.3L19 F23 E92 L93 S98 L99 V100 L360 M366L19-C96 HydrophobicContact CD2-CB 4.36Å; F23-C96 HydrophobicContact CE2-CB 4.45Å; F23-C96 HydrophobicContact CZ-CB 4.14Å; E92-C96 VanDerWaalsContact O-CB 3.25Å; E92-C96 WeakPolarHBondContact O-CB 3.3Å; E92-C96 PolarHBondContact O-N 2.66Å; L93-C96 PolarHBondContact O-N 3.34Å; C96-S98 PolarHBondContact O-N 2.99Å; C96-L99 PolarHBondContact O-N 3.36Å; C96-L99 VanDerWaalsContact O-N 3.14Å; C96-V100 WeakPolarHBondContact O-CB 3.41Å; C96-V100 WeakPolarHBondContact O-CG2 3.24Å; C96-V100 PolarHBondContact O-N 2.89Å; C96-L360 PolarHBondContact SG-O 2.88Å; C96-M366 HydrophobicContact CB-CB 4.46Å; C96-M366 HydrophobicContact CB-CG 4.14Å; C96-M366 HydrophobicContact CB-SD 4Å
97K85.8Confident75.3Confident57 Ų5733.5 Ų33.525%0.24818%0.184CC..Hα-helixtrans-55.1-41.3171.4-74.2-175.1173.1-173.50111.8D17 L19 L93 A101D17-K97 WeakPolarHBondContact OD2-CE 3.38Å; D17-K97 IonicContact OD2-NZ 2.74Å; D17-K97 PolarHBondContact OD2-NZ 3.33Å; L19-K97 HydrophobicContact CD2-CG 3.77Å; L93-K97 HydrophobicContact CD1-CD 4.41Å; L93-K97 HydrophobicContact CD1-CG 4.27Å; L93-K97 HydrophobicContact CG-CD 4.48Å; L93-K97 WeakPolarHBondContact O-CB 3.34Å; L93-K97 WeakPolarHBondContact O-CG 3.5Å; L93-K97 PolarHBondContact O-N 3.46Å; K97-A101 WeakPolarHBondContact O-CB 3.41Å; K97-A101 PolarHBondContact O-N 3.38Å
98S84.2Confident73.1Confident24 Ų2437.8 Ų37.817%0.16821%0.207CC..Hα-helixtrans-67-37.3177.7-63.70000113.1L94 L95 C96 R450L94-S98 VanDerWaalsContact O-CB 3.23Å; L94-S98 WeakPolarHBondContact O-CB 3.19Å; L94-S98 PolarHBondContact O-N 2.85Å; L94-S98 PolarHBondContact O-OG 3.5Å; L95-S98 CarbonylContact O-C 3.59Å; L95-S98 WeakPolarHBondContact O-CA 3.47Å; L95-S98 WeakPolarHBondContact O-CB 3.25Å; L95-S98 PolarHBondContact O-N 3.25Å; L95-S98 VanDerWaalsContact O-N 3.14Å; C96-S98 PolarHBondContact O-N 2.99Å; S98-R450 PolarHBondContact O-NE 2.9Å; S98-R450 PolarHBondContact O-NH2 2.95Å
99L86Confident71.2Confident0 Ų040.2 Ų40.20%022%0.219CC..Hα-helixtrans-76.7-34.8179.6-70.1167.7000112.5L95 C96 L360 M366 F369 L446 L449 R450L95-L99 HydrophobicContact CD1-CD1 4.12Å; L95-L99 HydrophobicContact CD1-CG 4.05Å; L95-L99 HydrophobicContact CG-CD1 3.92Å; L95-L99 HydrophobicContact CG-CG 4.33Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.11Å; C96-L99 PolarHBondContact O-N 3.36Å; C96-L99 VanDerWaalsContact O-N 3.14Å; L99-L360 HydrophobicContact CB-CD1 3.95Å; L99-M366 HydrophobicContact CD1-CE 4.07Å; L99-M366 HydrophobicContact CD1-SD 4.07Å; L99-F369 HydrophobicContact CD1-CD1 3.75Å; L99-F369 HydrophobicContact CD1-CE1 3.4Å; L99-F369 VanDerWaalsContact CD1-CE1 3.4Å; L99-F369 HydrophobicContact CD1-CZ 4.19Å; L99-F369 HydrophobicContact CD2-CE1 4.43Å; L99-L446 HydrophobicContact CD2-CD1 4.2Å; L99-L449 HydrophobicContact CD2-CB 3.98Å; L99-R450 HydrophobicContact CD2-CG 4.08Å
100V83.7Confident69.1Low26 Ų2643.4 Ų43.416%0.15824%0.235CC..Hα-helixtrans-69.8-36.2174.6171.40000111.7C96 Q353 E357 L360C96-V100 WeakPolarHBondContact O-CB 3.41Å; C96-V100 WeakPolarHBondContact O-CG2 3.24Å; C96-V100 PolarHBondContact O-N 2.89Å; V100-Q353 PolarHBondContact O-NE2 2.89Å; V100-E357 HydrophobicContact CG1-CG 3.66Å; V100-L360 HydrophobicContact CG2-CB 3.54Å; V100-L360 HydrophobicContact CG2-CD1 3.86Å; V100-L360 HydrophobicContact CG2-CG 4.36Å
101A78.7Confident66.8Low23 Ų2347.6 Ų47.619%0.1926%0.259CS..SBendtrans-52.5134.9-176.300000112.9K97 R450K97-A101 WeakPolarHBondContact O-CB 3.41Å; K97-A101 PolarHBondContact O-N 3.38Å; A101-R450 PolarHBondContact O-NH1 2.89Å
102P67.9Low65Low79 Ų7954.7 Ų54.751%0.51329%0.287SS..  trans-50.8149.2176.3-30.336.2000113.5E104 R450P102-E104 VanDerWaalsContact C-N 3.29Å; P102-E104 PolarHBondContact O-N 2.99Å; P102-R450 PolarHBondContact O-NH1 3.01Å; P102-R450 VanDerWaalsContact O-NH1 3.09Å
103L56.1Low63.1Low60 Ų6056.9 Ų56.931%0.31429%0.293SS..  trans-80.877.9171.8-71.6173.3000109.3L105 R450 Y451L103-L105 PolarHBondContact O-N 3.01Å; L103-R450 HydrophobicContact CD2-CB 4.1Å; L103-R450 VanDerWaalsContact CD2-CD 3.5Å; L103-R450 HydrophobicContact CD2-CG 4.49Å; L103-Y451 HydrophobicContact CD1-CD2 4.48Å; L103-Y451 HydrophobicContact CD1-CE1 4.14Å; L103-Y451 HydrophobicContact CD1-CE2 4.04Å; L103-Y451 HydrophobicContact CD2-CD2 4.17Å; L103-Y451 HydrophobicContact CD2-CE2 3.55Å; L103-Y451 HydrophobicContact CG-CE2 4.4Å
104E52.8Low60.8Low88 Ų8863.1 Ų63.141%0.41132%0.322SS..  trans-62.4104.3160.3-70.1-170.9-168.600107.4P102 N106 R197P102-E104 VanDerWaalsContact C-N 3.29Å; P102-E104 PolarHBondContact O-N 2.99Å; E104-N106 VanDerWaalsContact C-N 3.33Å; E104-N106 PolarHBondContact O-N 3.23Å; E104-R197 IonicContact OE1-NH1 2.77Å; E104-R197 PolarHBondContact OE1-NH1 3.39Å
105L41.4Very low58.5Low113 Ų11364.9 Ų64.959%0.59234%0.336SS*.  trans-67.995.7166.6-88.881.6000107.7L103 S107L103-L105 PolarHBondContact O-N 3.01Å; L105-S107 PolarHBondContact O-N 2.83Å
106N42Very low56.3Low40 Ų4068.4 Ų68.421%0.21435%0.352CS..  trans-70.278.1162.1-83-16.5000108.9E104 D108 L109 I110 S198E104-N106 VanDerWaalsContact C-N 3.33Å; E104-N106 PolarHBondContact O-N 3.23Å; N106-D108 PolarHBondContact O-N 2.68Å; N106-L109 HydrophobicContact CB-CB 3.76Å; N106-L109 PolarHBondContact O-N 3.33Å; N106-I110 PolarHBondContact O-N 3.04Å; N106-S198 PolarHBondContact ND2-OG 3.37Å
107S38.2Very low53.9Low56 Ų5672.3 Ų72.339%0.39238%0.379SS..Hα-helixtrans-54.2-44.6166.5-55.80000109.7L105 L109 I110 D111L105-S107 PolarHBondContact O-N 2.83Å; S107-L109 CarbonylContact O-C 3.55Å; S107-L109 PolarHBondContact O-N 3.19Å; S107-I110 PolarHBondContact O-N 3.17Å; S107-D111 WeakPolarHBondContact O-CB 3.46Å; S107-D111 PolarHBondContact O-N 3.32Å
108D41.5Very low51.6Low90 Ų9072.4 Ų72.448%0.48139%0.39SS..Hα-helixtrans-46.4-22.8169.6-66.337.7000115.4N106 R195N106-D108 PolarHBondContact O-N 2.68Å; D108-R195 IonicContact OD2-CZ 2.82Å; D108-R195 VanDerWaalsContact OD2-CZ 3.24Å; D108-R195 IonicContact OD2-NE 2.64Å; D108-R195 PolarHBondContact OD2-NE 2.96Å; D108-R195 IonicContact OD2-NH2 2.69Å; D108-R195 PolarHBondContact OD2-NH2 3.06Å
109L42.8Very low49.5Very low69 Ų6974.9 Ų74.936%0.36140%0.401SS..Hα-helixtrans-100.2-36.6174.3-16472000112.1N106 S107 D111 Y112N106-L109 HydrophobicContact CB-CB 3.76Å; N106-L109 PolarHBondContact O-N 3.33Å; S107-L109 CarbonylContact O-C 3.55Å; S107-L109 PolarHBondContact O-N 3.19Å; L109-D111 VanDerWaalsContact C-N 3.34Å; L109-Y112 WeakPolarHBondContact O-CB 3.47Å; L109-Y112 PolarHBondContact O-N 2.79Å; L109-Y112 VanDerWaalsContact O-N 3.15Å
110I42.3Very low47.1Very low66 Ų6679.1 Ų79.134%0.33842%0.424SS..Hα-helixtrans-62.3-43175.4-66.4167.7000110.6N106 S107 Y112 W113 E114N106-I110 PolarHBondContact O-N 3.04Å; S107-I110 PolarHBondContact O-N 3.17Å; I110-Y112 PolarHBondContact O-N 2.93Å; I110-Y112 VanDerWaalsContact O-N 3.13Å; I110-W113 CarbonylContact O-C 3.56Å; I110-W113 PolarHBondContact O-N 3.39Å; I110-E114 PolarHBondContact O-N 3.33Å
111D41.1Very low44.9Very low105 Ų10581.3 Ų81.356%0.56144%0.444SS*.THydrogen-bonded Turntrans-59.7-23.4176.1-57.1-11.8000112S107 L109S107-D111 WeakPolarHBondContact O-CB 3.46Å; S107-D111 PolarHBondContact O-N 3.32Å; L109-D111 VanDerWaalsContact C-N 3.34Å
112Y45Very low42.8Very low163 Ų16383.5 Ų83.564%0.63946%0.458SS*.THydrogen-bonded Turntrans-82.2-15.7175.2-148.7-90.6000113.3L109 I110 F116L109-Y112 WeakPolarHBondContact O-CB 3.47Å; L109-Y112 PolarHBondContact O-N 2.79Å; L109-Y112 VanDerWaalsContact O-N 3.15Å; I110-Y112 PolarHBondContact O-N 2.93Å; I110-Y112 VanDerWaalsContact O-N 3.13Å; Y112-F116 WeakPolarHBondContact O-CD2 3.02Å
113W46.9Very low41.5Very low92 Ų9282.3 Ų82.335%0.34845%0.45SS..THydrogen-bonded Turntrans-118-8.3-174.7-67.4110.9000114.8I110 F116 S117I110-W113 CarbonylContact O-C 3.56Å; I110-W113 PolarHBondContact O-N 3.39Å; W113-F116 HydrophobicContact CD2-CD2 4.27Å; W113-F116 HydrophobicContact CE3-CB 3.78Å; W113-F116 HydrophobicContact CE3-CD1 4.23Å; W113-F116 AromaticContact CE3-CD2 3.42Å; W113-F116 HydrophobicContact CE3-CD2 3.42Å; W113-F116 VanDerWaalsContact CE3-CD2 3.42Å; W113-F116 AromaticContact CE3-CE2 4Å; W113-F116 HydrophobicContact CE3-CE2 4Å; W113-F116 AromaticContact CE3-CG 3.55Å; W113-F116 HydrophobicContact CE3-CG 3.55Å; W113-F116 HydrophobicContact CZ3-CB 4.28Å; W113-F116 AromaticContact CZ3-CD1 3.91Å; W113-F116 HydrophobicContact CZ3-CD1 3.91Å; W113-F116 AromaticContact CZ3-CD2 3.72Å; W113-F116 HydrophobicContact CZ3-CD2 3.72Å; W113-F116 HydrophobicContact CZ3-CE1 4.11Å; W113-F116 AromaticContact CZ3-CE2 3.93Å; W113-F116 HydrophobicContact CZ3-CE2 3.93Å; W113-F116 AromaticContact CZ3-CG 3.71Å; W113-F116 HydrophobicContact CZ3-CG 3.71Å; W113-F116 HydrophobicContact CZ3-CZ 4.12Å; W113-F116 PolarHBondContact O-N 2.9Å; W113-S117 PolarHBondContact O-N 3.4Å; W113-S117 PolarHBondContact O-OG 2.86Å
114E40Very low40.6Very low131 Ų13186.3 Ų86.361%0.61247%0.471SS*.Hα-helixtrans-55.5-44.9166.9-72.2-155.2144.300112.7I110 F116 S117 A118I110-E114 PolarHBondContact O-N 3.33Å; E114-F116 PolarHBondContact O-N 3.21Å; E114-S117 PolarHBondContact O-N 3.43Å; E114-S117 VanDerWaalsContact O-N 3.16Å; E114-A118 PolarHBondContact O-N 3.43Å
115P37.6Very low39.7Very low77 Ų7786.8 Ų86.850%0.548%0.476SS..Hα-helixtrans-59.3-44.6177.6-24.735.2000112.5S117 A118 D119P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 3Å; P115-A118 PolarHBondContact O-N 3.43Å; P115-D119 WeakPolarHBondContact O-CB 3.35Å; P115-D119 PolarHBondContact O-N 3.45Å
116F39.8Very low39.3Very low78 Ų7885.7 Ų85.734%0.34248%0.477SS..Hα-helixtrans-64.6-34.1178.1-71.5-90.4000112.7Y112 W113 E114 L120 F414Y112-F116 WeakPolarHBondContact O-CD2 3.02Å; W113-F116 HydrophobicContact CD2-CD2 4.27Å; W113-F116 HydrophobicContact CE3-CB 3.78Å; W113-F116 HydrophobicContact CE3-CD1 4.23Å; W113-F116 AromaticContact CE3-CD2 3.42Å; W113-F116 HydrophobicContact CE3-CD2 3.42Å; W113-F116 VanDerWaalsContact CE3-CD2 3.42Å; W113-F116 AromaticContact CE3-CE2 4Å; W113-F116 HydrophobicContact CE3-CE2 4Å; W113-F116 AromaticContact CE3-CG 3.55Å; W113-F116 HydrophobicContact CE3-CG 3.55Å; W113-F116 HydrophobicContact CZ3-CB 4.28Å; W113-F116 AromaticContact CZ3-CD1 3.91Å; W113-F116 HydrophobicContact CZ3-CD1 3.91Å; W113-F116 AromaticContact CZ3-CD2 3.72Å; W113-F116 HydrophobicContact CZ3-CD2 3.72Å; W113-F116 HydrophobicContact CZ3-CE1 4.11Å; W113-F116 AromaticContact CZ3-CE2 3.93Å; W113-F116 HydrophobicContact CZ3-CE2 3.93Å; W113-F116 AromaticContact CZ3-CG 3.71Å; W113-F116 HydrophobicContact CZ3-CG 3.71Å; W113-F116 HydrophobicContact CZ3-CZ 4.12Å; W113-F116 PolarHBondContact O-N 2.9Å; E114-F116 PolarHBondContact O-N 3.21Å; F116-L120 WeakPolarHBondContact O-CB 3.36Å; F116-L120 WeakPolarHBondContact O-CD1 3.22Å; F116-L120 PolarHBondContact O-N 3.03Å; F116-F414 HydrophobicContact CD1-CZ 4.5Å; F116-F414 HydrophobicContact CE1-CE1 4.5Å
117S37.7Very low38.8Very low81 Ų8192.8 Ų92.857%0.56651%0.508SS*.Hα-helixtrans-69.2-40.7178.3-55.90000111.3W113 E114 P115 A121W113-S117 PolarHBondContact O-N 3.4Å; W113-S117 PolarHBondContact O-OG 2.86Å; E114-S117 PolarHBondContact O-N 3.43Å; E114-S117 VanDerWaalsContact O-N 3.16Å; P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 3Å; S117-A121 WeakPolarHBondContact O-CB 3.33Å; S117-A121 PolarHBondContact O-N 3.33Å
118A37.8Very low38.5Very low59 Ų5995.2 Ų95.249%0.48853%0.531SS..Hα-helixtrans-72.5-42.1175.200000112.9E114 P115 A121 S122E114-A118 PolarHBondContact O-N 3.43Å; P115-A118 PolarHBondContact O-N 3.43Å; A118-A121 PolarHBondContact O-N 3.04Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 3.01Å; A118-S122 PolarHBondContact O-OG 3.29Å
119D39.9Very low37.9Very low76 Ų7694.4 Ų94.441%0.40654%0.544SS..Hα-helixtrans-67.6-39.5178.9-102.739.9000111.8P115 S122 T123 K417P115-D119 WeakPolarHBondContact O-CB 3.35Å; P115-D119 PolarHBondContact O-N 3.45Å; D119-S122 PolarHBondContact O-OG 3.11Å; D119-T123 WeakPolarHBondContact O-CB 3.45Å; D119-T123 PolarHBondContact O-N 3.37Å; D119-T123 PolarHBondContact O-OG1 2.65Å; D119-K417 IonicContact OD2-NZ 2.8Å; D119-K417 PolarHBondContact OD2-NZ 3.4Å
120L36.2Very low37.3Very low90 Ų9097.8 Ų97.847%0.47157%0.568SS.*Hα-helixtrans-65-46.9173.2-98.477.4000111.2F116 S122 L124 F414F116-L120 WeakPolarHBondContact O-CB 3.36Å; F116-L120 WeakPolarHBondContact O-CD1 3.22Å; F116-L120 PolarHBondContact O-N 3.03Å; L120-S122 PolarHBondContact O-N 2.97Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.18Å; L120-L124 WeakPolarHBondContact O-CD1 3.47Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.74Å; L120-L124 VanDerWaalsContact O-N 3.12Å; L120-F414 HydrophobicContact CD1-CZ 4.49Å
121A36.9Very low36.5Very low71 Ų71100 Ų10059%0.58759%0.589SS**Hα-helixtrans-62.7-41.5-179.100000112.6S117 A118S117-A121 WeakPolarHBondContact O-CB 3.33Å; S117-A121 PolarHBondContact O-N 3.33Å; A118-A121 PolarHBondContact O-N 3.04Å
122S35.9Very low35.9Very low70 Ų70104.5 Ų104.549%0.4960%0.598SS.*Hα-helixtrans-79.6-31.9-178.557.80000114.1A118 D119 L120A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 3.01Å; A118-S122 PolarHBondContact O-OG 3.29Å; D119-S122 PolarHBondContact O-OG 3.11Å; L120-S122 PolarHBondContact O-N 2.97Å
123T40.5Very low35.2Very low54 Ų54105.1 Ų105.133%0.33161%0.607SS.*Hα-helixtrans-92.5-10.9-178-23.70000114D119 Y413D119-T123 WeakPolarHBondContact O-CB 3.45Å; D119-T123 PolarHBondContact O-N 3.37Å; D119-T123 PolarHBondContact O-OG1 2.65Å; T123-Y413 WeakPolarHBondContact CB-OH 3.5Å; T123-Y413 WeakPolarHBondContact CG2-OH 3.35Å
124L36Very low34.6Very low143 Ų143106.3 Ų106.375%0.74962%0.624SS**THydrogen-bonded Turntrans-78.4-13169.2-82.7164000114.2L120 C126L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.18Å; L120-L124 WeakPolarHBondContact O-CD1 3.47Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.74Å; L120-L124 VanDerWaalsContact O-N 3.12Å; L124-C126 PolarHBondContact O-N 2.87Å
125D35.2Very low34.1Very low98 Ų98108.4 Ų108.452%0.52463%0.632SS.*THydrogen-bonded Turntrans-81.97.6178.3-141-15.6000112.9R132D125-R132 IonicContact OD1-CZ 2.67Å; D125-R132 IonicContact OD1-NH1 3.42Å; D125-R132 PolarHBondContact OD1-NH1 3.46Å; D125-R132 IonicContact OD1-NH2 3.7Å; D125-R132 PolarHBondContact OD1-NH2 2.77Å
126C32.3Very low33.8Very low90 Ų90110.5 Ų110.561%0.60864%0.643SS**  trans-114.244.1-165.2-76.90000115.7L124L124-C126 PolarHBondContact O-N 2.87Å
127H31.9Very low33.2Very low190 Ų190111.1 Ų111.188%0.8866%0.657SS**  trans-144.482.9155.2-107.9-61.7000112.1G129H127-G129 PolarHBondContact O-N 3.01Å
128A31.5Very low32.7Very low106 Ų106118.6 Ų118.688%0.87667%0.673SS**  trans-66.1116.7171.700000110.5
129G28.2Very low32.5Very low73 Ų73121.8 Ų121.875%0.75369%0.687SS**  trans-155.9-12.7-176.700000116.3H127H127-G129 PolarHBondContact O-N 3.01Å
130V29.9Very low32.1Very low140 Ų140123.5 Ų123.585%0.84870%0.7SS**SBendtrans-136.8112.3171.1-175.80000108.5
131S27.2Very low31.9Very low114 Ų114125.3 Ų125.380%0.79771%0.71SS**  trans31.285.9171.3-62.70000119.4
132R28.3Very low31.7Very low198 Ų198128.6 Ų128.675%0.74772%0.718SS**  trans-113.194.6141.9-81.4-168.8-175.2156.47.6109.2D125D125-R132 IonicContact OD1-CZ 2.67Å; D125-R132 IonicContact OD1-NH1 3.42Å; D125-R132 PolarHBondContact OD1-NH1 3.46Å; D125-R132 IonicContact OD1-NH2 3.7Å; D125-R132 PolarHBondContact OD1-NH2 2.77Å
133H30.6Very low31.6Very low176 Ų176130.6 Ų130.682%0.81573%0.731SS**  trans-149139.5168.9-77.2-58000106.1
134T33Very low31.3Very low118 Ų118133.8 Ų133.872%0.72475%0.746SS**  cis-141.5158.922.741.10000113.4
135F30.8Very low31.5Very low174 Ų174137.8 Ų137.876%0.76375%0.753SS**  trans24.2120.3145.1-69.5-107.6000119.2
136T29.5Very low31.8Very low121 Ų121138.8 Ų138.874%0.74276%0.758SS**  66.1126.554.975.10000117.3
137S27.6Very low32.4Very low91 Ų91141.7 Ų141.764%0.63677%0.768SS**  trans89.2105.5145.3-147.40000121.3
138W27.5Very low32.8Very low238 Ų238140.1 Ų140.190%0.90276%0.761SS**  trans68131.7143.4-56.6-5.6000120.6
139T32.9Very low33.3Very low126 Ų126140.7 Ų140.777%0.77375%0.753SS**  -177.8149.1106.9270000111.7
140T32.4Very low33.8Very low112 Ų112145.5 Ų145.569%0.68776%0.756SS**  trans33.8144147.655.30000122
141D32.8Very low34.1Very low128 Ų128143.9 Ų143.968%0.68475%0.751SS**  cis-163.21599.2-115.9-19.8000115
142L30.9Very low34.7Very low141 Ų141143.5 Ų143.574%0.73875%0.749SS**  trans31.1125.4144.6-62.6163000122.3
143S34.4Very low35Very low111 Ų111144.7 Ų144.778%0.77676%0.755SS**  -173.9121.696.760.90000115.2
144N35Very low35.6Very low121 Ų121144.2 Ų144.265%0.64776%0.758SS**  trans30.2128.3147.2-51.624.2000122.1
145Y39.6Very low35.9Very low228 Ų228148.3 Ų148.389%0.89476%0.762SS**  -157.2155.2100-122.8-83.8000111.5
146D41.1Very low36.4Very low118 Ų118144.6 Ų144.663%0.63176%0.758SS**  trans-108.7158.2-157.7-48.8-82.2000115.8
147D44.6Very low37Very low151 Ų151143.4 Ų143.481%0.80775%0.754SS**  trans153.9114.6144-85.8-17.9000108.4
148E40.9Very low37.6Very low158 Ų158145.5 Ų145.574%0.73875%0.754SS**  60.6116.770.2-62.2-71-175.400111.4
149T41.4Very low38.3Very low117 Ų117141.3 Ų141.372%0.71874%0.742SS**  cis-158.6166.232.59.20000114
150E38.3Very low38.7Very low174 Ų174141.3 Ų141.381%0.81374%0.737SS**  trans-11.1158.7140.6-71.3-170.9154.600120.1
151S37.2Very low39.1Very low106 Ų106140.6 Ų140.674%0.74174%0.737SS**  cis-174.1-169.6-8.558.30000111.4
152S38.9Very low39.4Very low107 Ų107143.4 Ų143.475%0.74874%0.743SS**  trans85.5126158.7-156.80000120.4
153Y36.5Very low39.9Very low222 Ų222141 Ų14187%0.87174%0.738SS**  trans-70.9164.8166.7-48.4-96.7000112.4
154D42.2Very low40.1Very low167 Ų167142.4 Ų142.489%0.89374%0.742SS**  -154179118.8-141.4-26.7000112.5
155Y39.1Very low40.4Very low204 Ų204142 Ų14280%0.875%0.746SS**  trans-127.2166.4-153.5-172.9-92.7000113.9
156S40.5Very low40.4Very low96 Ų96139.2 Ų139.267%0.67175%0.745SS**  trans120.2124.7172.3-59.80000112.2
157S42.2Very low40Very low95 Ų95137.9 Ų137.966%0.66475%0.745SS**  cis71.6137.747.9102.10000112.3
158E40.3Very low39.7Very low135 Ų135135.2 Ų135.263%0.63174%0.738SS**  cis-166161.135.9-126.2-174165.200113
159K44Very low39.7Very low150 Ų150136 Ų13665%0.65274%0.739SS**  trans65.9154.1147.7-71168.5-176.2148.60119.3
160N40Very low39.8Very low127 Ų127137.5 Ų137.568%0.67974%0.738SS**  cis-163.3138.5-8.5-121.4-16000112.9
161S41Very low39.8Very low97 Ų97133.8 Ų133.868%0.67873%0.731SS**  trans53.1156.2136.981.20000122
162K39.7Very low40Very low187 Ų187134.9 Ų134.981%0.81373%0.729SS**  cis-168.2148.118.6-143.9165.5-174.51760114.2
163S41.6Very low40.1Very low90 Ų90136.8 Ų136.863%0.62973%0.725SS**  trans55.8101.9143.158.80000124.7
164T37.6Very low40.3Very low141 Ų141134 Ų13487%0.86572%0.721SS**  47.1156.1108.746.80000125.3
165P41.5Very low39.9Very low113 Ų113132.3 Ų132.373%0.73472%0.716SS**  trans-117.3177.1-164.944.6-34.1000116.8
166I39.2Very low39.8Very low168 Ų168127.5 Ų127.586%0.86271%0.71SS**  trans178.8166.4160.3-99.6150.7000109.1
167S32.9Very low39.3Very low90 Ų90130 Ų13063%0.62972%0.716SS**  -166.3152.5-60.776.70000111.3
168S38.7Very low38.9Very low95 Ų95132.8 Ų132.866%0.66472%0.722SS**  trans79.5150.1150.886.80000123.3
169K41.2Very low38.5Very low175 Ų175132 Ų13276%0.76173%0.726SS**  trans75.6144.2154.1-67.2175.8176.9178.80119
170Q43Very low38.1Very low148 Ų148132.1 Ų132.169%0.69273%0.734SS**  cis-166.7145.7-13.2-127.1173.4-79.300111.1
171S39.5Very low37.7Very low97 Ų97134.8 Ų134.868%0.67874%0.742SS**  trans63.3155.6147.571.40000119.2
172N40.5Very low37.3Very low128 Ų128135.4 Ų135.468%0.68475%0.747SS**  cis-168.8152.1-1.8-123.921.9000111.9
173H41.9Very low36.9Very low147 Ų147133 Ų13368%0.68175%0.747SS**  trans58.6152.6164.1-62-84.9000117.7
174E39.1Very low36.4Very low165 Ų165133.6 Ų133.677%0.77175%0.751SS**  cis-152.5162.4-5.7-133150.8-141.900112.3
175T34.4Very low36.4Very low130 Ų130137.7 Ų137.780%0.79875%0.752SS**  trans-90173177.2360000112.6
176P36.2Very low35.9Very low103 Ų103140.9 Ų140.967%0.66976%0.757SS**  cis-145.3178.421.244.1-24.7000119.4
177N31.9Very low35.6Very low150 Ų150138.1 Ų138.180%0.80275%0.753SS**  trans80.7145.8144-81.7-11.1000123.2
178I33Very low35.7Very low153 Ų153141.2 Ų141.279%0.78576%0.756SS**  trans79.891.9162.9-60.5155.5000118
179V32.2Very low35.5Very low119 Ų119142.1 Ų142.172%0.72175%0.753SS**  36.6113.8126.4-174.20000118.9
180N34.3Very low35.4Very low152 Ų152139.4 Ų139.481%0.81375%0.751SS**  -162.6157.3114-106.9-41.8000114
181E32.4Very low35Very low182 Ų182136.7 Ų136.785%0.8574%0.74SS**  trans-71.9155.2-174.2-65.1171.3109.800114.5
182S32.5Very low34.8Very low111 Ų111138.3 Ų138.378%0.77674%0.735SS**  trans-152.5116146.242.20000113.2
183V31.9Very low34.6Very low137 Ų137135.2 Ų135.283%0.8372%0.723SS**  trans50.5106.6141.1-168.60000118.8
184S31.6Very low34.2Very low101 Ų101130 Ų13071%0.70670%0.704SS**  167.2155.7108.153.80000115.7
185Y36.7Very low33.9Very low227 Ų227129.3 Ų129.389%0.8969%0.694SS**  trans65.6141.1163.2-83.8-76.4000122
186E30Very low34.2Very low180 Ų180131.9 Ų131.984%0.84169%0.689SS**  trans-98.2-178.4-174-59.6169.2107.400112.5
187S33.6Very low34.2Very low110 Ų110133 Ų13377%0.76968%0.68SS**  trans71.170.6160.2-174.20000118.7
188F34.2Very low34.4Very low156 Ų156128.1 Ų128.168%0.68466%0.658SS**  trans-144.4-9162.2-101.9-68.2000119.1I191F188-I191 HydrophobicContact CD1-CD1 4.5Å; F188-I191 HydrophobicContact CE1-CD1 4.5Å
189D36.2Very low34.7Very low114 Ų114130.6 Ų130.661%0.6166%0.657SS**Hα-helixtrans-85.7-17.9-167.9-75.8-39.7000116.6I191 K192D189-I191 VanDerWaalsContact C-N 3.27Å; D189-I191 PolarHBondContact O-N 3.21Å; D189-K192 PolarHBondContact O-N 3.18Å; D189-K192 IonicContact OD1-NZ 3.89Å; D189-K192 PolarHBondContact OD1-NZ 2.96Å
190T38.1Very low35.1Very low118 Ų118128.4 Ų128.472%0.72464%0.639SS**Hα-helixtrans-60.2-38.2176.3-32.90000111.8K192 S193 S194T190-K192 PolarHBondContact O-N 2.68Å; T190-S193 VanDerWaalsContact O-CB 3.24Å; T190-S193 WeakPolarHBondContact O-CB 3.41Å; T190-S193 PolarHBondContact O-N 2.9Å; T190-S193 VanDerWaalsContact O-N 3.12Å; T190-S194 PolarHBondContact O-N 3.06Å
191I34.4Very low35Very low90 Ų90127.3 Ų127.346%0.46262%0.624SS.*Hα-helixtrans-68.9-32.9-177.1-59.6173.1000111.5F188 D189 S193 R195F188-I191 HydrophobicContact CD1-CD1 4.5Å; F188-I191 HydrophobicContact CE1-CD1 4.5Å; D189-I191 VanDerWaalsContact C-N 3.27Å; D189-I191 PolarHBondContact O-N 3.21Å; I191-S193 PolarHBondContact O-N 2.96Å; I191-R195 WeakPolarHBondContact O-CB 3.25Å; I191-R195 WeakPolarHBondContact O-CG 3.48Å; I191-R195 PolarHBondContact O-N 3.27Å; I191-R195 VanDerWaalsContact O-N 3.13Å
192K35.6Very low35.2Very low132 Ų132122.9 Ų122.957%0.57461%0.613SS**Hα-helixtrans-69.7-22174.6-66.3177.9-164147.80112.7D189 T190D189-K192 PolarHBondContact O-N 3.18Å; D189-K192 IonicContact OD1-NZ 3.89Å; D189-K192 PolarHBondContact OD1-NZ 2.96Å; T190-K192 PolarHBondContact O-N 2.68Å
193S36Very low35.6Very low62 Ų62124.3 Ų124.343%0.43461%0.606SS.*Hα-helixtrans-70.7-55.1173.6-1670000111.1T190 I191 R195 R196 R197T190-S193 VanDerWaalsContact O-CB 3.24Å; T190-S193 WeakPolarHBondContact O-CB 3.41Å; T190-S193 PolarHBondContact O-N 2.9Å; T190-S193 VanDerWaalsContact O-N 3.12Å; I191-S193 PolarHBondContact O-N 2.96Å; S193-R195 VanDerWaalsContact C-N 3.31Å; S193-R195 PolarHBondContact O-N 2.86Å; S193-R196 WeakPolarHBondContact O-CB 3.41Å; S193-R196 PolarHBondContact O-N 3.39Å; S193-R197 PolarHBondContact O-N 3.16Å
194S33.2Very low35.8Very low39 Ų39120.5 Ų120.527%0.27358%0.577SS.*Hα-helixtrans-61.5-36.6178.4-60.20000112.7T190 R196 R197 S198T190-S194 PolarHBondContact O-N 3.06Å; S194-R196 PolarHBondContact O-N 3.43Å; S194-R196 VanDerWaalsContact O-N 3.17Å; S194-R197 PolarHBondContact O-N 3.46Å; S194-R197 VanDerWaalsContact O-N 3.11Å; S194-S198 PolarHBondContact O-N 2.76Å
195R34.6Very low36Very low150 Ų150119.2 Ų119.257%0.56656%0.559SS**Hα-helixtrans-65.5-13.4174.8-75.3-177.1172173.50.4114.7D108 I191 S193D108-R195 IonicContact OD2-CZ 2.82Å; D108-R195 VanDerWaalsContact OD2-CZ 3.24Å; D108-R195 IonicContact OD2-NE 2.64Å; D108-R195 PolarHBondContact OD2-NE 2.96Å; D108-R195 IonicContact OD2-NH2 2.69Å; D108-R195 PolarHBondContact OD2-NH2 3.06Å; I191-R195 WeakPolarHBondContact O-CB 3.25Å; I191-R195 WeakPolarHBondContact O-CG 3.48Å; I191-R195 PolarHBondContact O-N 3.27Å; I191-R195 VanDerWaalsContact O-N 3.13Å; S193-R195 VanDerWaalsContact C-N 3.31Å; S193-R195 PolarHBondContact O-N 2.86Å
196R38.9Very low36Very low184 Ų184113.9 Ų113.969%0.69454%0.54SS*.Hα-helixtrans-79.7-50.9165-75.1-174.3171.8-179.2-2.7111.4S193 S194 S198 R199 E200S193-R196 WeakPolarHBondContact O-CB 3.41Å; S193-R196 PolarHBondContact O-N 3.39Å; S194-R196 PolarHBondContact O-N 3.43Å; S194-R196 VanDerWaalsContact O-N 3.17Å; R196-S198 VanDerWaalsContact C-N 3.31Å; R196-S198 PolarHBondContact O-N 3.06Å; R196-R199 WeakPolarHBondContact O-CA 3.45Å; R196-R199 WeakPolarHBondContact O-CB 3.4Å; R196-R199 PolarHBondContact O-N 2.94Å; R196-E200 PolarHBondContact O-N 3.21Å
197R36.5Very low36.4Very low127 Ų127107.3 Ų107.348%0.47951%0.512SS..Hα-helixtrans-54.2-42.6178.4-66.1-179.4179.5167.1-1.3113.2E104 S193 S194 R199 E200 Y201E104-R197 IonicContact OE1-NH1 2.77Å; E104-R197 PolarHBondContact OE1-NH1 3.39Å; S193-R197 PolarHBondContact O-N 3.16Å; S194-R197 PolarHBondContact O-N 3.46Å; S194-R197 VanDerWaalsContact O-N 3.11Å; R197-R199 VanDerWaalsContact C-N 3.26Å; R197-R199 PolarHBondContact O-N 2.74Å; R197-E200 WeakPolarHBondContact CA-OE2 3.33Å; R197-E200 WeakPolarHBondContact O-CB 3.49Å; R197-E200 PolarHBondContact O-N 2.85Å; R197-E200 VanDerWaalsContact O-N 3.12Å; R197-Y201 WeakPolarHBondContact O-CD2 3.31Å; R197-Y201 PolarHBondContact O-N 2.84Å
198S35.9Very low36.5Very low47 Ų47104 Ų10433%0.32948%0.483SS..Hα-helixtrans-67.5-24.1178.5-164.50000113.8N106 S194 R196N106-S198 PolarHBondContact ND2-OG 3.37Å; S194-S198 PolarHBondContact O-N 2.76Å; R196-S198 VanDerWaalsContact C-N 3.31Å; R196-S198 PolarHBondContact O-N 3.06Å
199R39.3Very low36.6Very low204 Ų20499.4 Ų99.477%0.7747%0.465SS*.Hα-helixtrans-81.9-29.6170.7-89.7-176.5165.8-174.2-3.9112.5R196 R197 K203R196-R199 WeakPolarHBondContact O-CA 3.45Å; R196-R199 WeakPolarHBondContact O-CB 3.4Å; R196-R199 PolarHBondContact O-N 2.94Å; R197-R199 VanDerWaalsContact C-N 3.26Å; R197-R199 PolarHBondContact O-N 2.74Å; R199-K203 PolarHBondContact O-N 2.74Å
200E41Very low36.7Very low74 Ų7497.6 Ų97.635%0.34646%0.458SS..Hα-helixtrans-66.1-40.9172.4-70.8149.7-165.500110.6R196 R197 S202 K203 Y204R196-E200 PolarHBondContact O-N 3.21Å; R197-E200 WeakPolarHBondContact CA-OE2 3.33Å; R197-E200 WeakPolarHBondContact O-CB 3.49Å; R197-E200 PolarHBondContact O-N 2.85Å; R197-E200 VanDerWaalsContact O-N 3.12Å; E200-S202 PolarHBondContact O-N 2.95Å; E200-K203 CarbonylContact O-C 3.51Å; E200-K203 WeakPolarHBondContact O-CA 3.39Å; E200-K203 WeakPolarHBondContact O-CB 3.46Å; E200-K203 PolarHBondContact O-N 2.77Å; E200-Y204 HydrophobicContact CB-CE1 4.38Å; E200-Y204 HydrophobicContact CB-CE2 4Å; E200-Y204 WeakPolarHBondContact O-CD2 3.45Å; E200-Y204 VanDerWaalsContact O-CG 3.27Å; E200-Y204 PolarHBondContact O-N 3.37Å
201Y33.4Very low36.6Very low128 Ų12896.5 Ų96.550%0.50245%0.446SS..Hα-helixtrans-56.2-42.6174.8-96.1-82.8000114.6R197 K203 Y204R197-Y201 WeakPolarHBondContact O-CD2 3.31Å; R197-Y201 PolarHBondContact O-N 2.84Å; Y201-K203 VanDerWaalsContact C-N 3.32Å; Y201-K203 PolarHBondContact O-N 2.81Å; Y201-Y204 HydrophobicContact CD1-CD2 4.47Å; Y201-Y204 HydrophobicContact CG-CD2 4.41Å
202S35.8Very low36.8Very low89 Ų8999.7 Ų99.762%0.62246%0.457SS*.Hα-helixtrans-69.4-30175.5177.60000112.6E200E200-S202 PolarHBondContact O-N 2.95Å
203K40.1Very low36.8Very low142 Ų142100.5 Ų100.562%0.61746%0.463SS*.Hα-helixtrans-73.7-42.3174.2-76.8-173.6168.8-166.90113R199 E200 Y201 F205 K206 T207R199-K203 PolarHBondContact O-N 2.74Å; E200-K203 CarbonylContact O-C 3.51Å; E200-K203 WeakPolarHBondContact O-CA 3.39Å; E200-K203 WeakPolarHBondContact O-CB 3.46Å; E200-K203 PolarHBondContact O-N 2.77Å; Y201-K203 VanDerWaalsContact C-N 3.32Å; Y201-K203 PolarHBondContact O-N 2.81Å; K203-F205 CarbonylContact O-C 3.51Å; K203-F205 PolarHBondContact O-N 3.25Å; K203-K206 PolarHBondContact O-N 2.67Å; K203-T207 PolarHBondContact O-N 3.42Å; K203-T207 PolarHBondContact O-OG1 2.74Å
204Y36Very low36.5Very low56 Ų56102.5 Ų102.522%0.2248%0.475CS..Hα-helixtrans-52.9-32.2-173.8-68.9-38.7000113.9M1 D2 E200 Y201M1-Y204 PolarHBondContact N-O 3.04Å; D2-Y204 HydrophobicContact CB-CD1 3.64Å; D2-Y204 HydrophobicContact CB-CE1 3.84Å; E200-Y204 HydrophobicContact CB-CE1 4.38Å; E200-Y204 HydrophobicContact CB-CE2 4Å; E200-Y204 WeakPolarHBondContact O-CD2 3.45Å; E200-Y204 VanDerWaalsContact O-CG 3.27Å; E200-Y204 PolarHBondContact O-N 3.37Å; Y201-Y204 HydrophobicContact CD1-CD2 4.47Å; Y201-Y204 HydrophobicContact CG-CD2 4.41Å
205F35.4Very low36.5Very low74 Ų74107 Ų10733%0.32550%0.502SS..Hα-helixtrans-82-48.3171.9-72.1-91.9000112.6K203 T207 R208 N439K203-F205 CarbonylContact O-C 3.51Å; K203-F205 PolarHBondContact O-N 3.25Å; F205-T207 VanDerWaalsContact C-N 3.33Å; F205-T207 PolarHBondContact O-N 3.09Å; F205-R208 WeakPolarHBondContact O-CA 3.44Å; F205-R208 WeakPolarHBondContact O-CB 3.18Å; F205-R208 PolarHBondContact O-N 3.29Å; F205-N439 WeakPolarHBondContact CG-OD1 3.48Å
206K38.7Very low36.3Very low116 Ų116107.3 Ų107.350%0.50451%0.513SS..Hα-helixtrans-64-32.9-176.5-150.9165.8-173.8174.30113.2K203 R208 E432K203-K206 PolarHBondContact O-N 2.67Å; K206-R208 VanDerWaalsContact C-N 3.26Å; K206-R208 PolarHBondContact O-N 3.4Å; K206-E432 WeakPolarHBondContact CE-OE1 3.23Å; K206-E432 IonicContact NZ-OE1 2.77Å; K206-E432 PolarHBondContact NZ-OE1 3.01Å; K206-E432 IonicContact NZ-OE2 3.22Å; K206-E432 PolarHBondContact NZ-OE2 2.74Å
207T36.7Very low36.1Very low42 Ų42103.6 Ų103.626%0.25851%0.513SS..Hα-helixtrans-68.1-21.9171.1-36.40000112.8D2 K203 F205 T210 M211D2-T207 VanDerWaalsContact OD1-CB 3.25Å; D2-T207 WeakPolarHBondContact OD1-CB 3.18Å; D2-T207 PolarHBondContact OD1-OG1 3.1Å; D2-T207 PolarHBondContact OD2-OG1 3.17Å; D2-T207 VanDerWaalsContact OD2-OG1 3.11Å; K203-T207 PolarHBondContact O-N 3.42Å; K203-T207 PolarHBondContact O-OG1 2.74Å; F205-T207 VanDerWaalsContact C-N 3.33Å; F205-T207 PolarHBondContact O-N 3.09Å; T207-T210 PolarHBondContact O-OG1 3.07Å; T207-M211 HydrophobicContact CG2-CE 3.98Å
208R35.9Very low35.9Very low41 Ų41107 Ų10716%0.15553%0.532CS..Hα-helixtrans-73-33.4-177.1-157.7179-170.9-147.4-4111.9M1 F205 K206 F212 E388 D389M1-R208 HydrophobicContact CG-CG 4.41Å; F205-R208 WeakPolarHBondContact O-CA 3.44Å; F205-R208 WeakPolarHBondContact O-CB 3.18Å; F205-R208 PolarHBondContact O-N 3.29Å; K206-R208 VanDerWaalsContact C-N 3.26Å; K206-R208 PolarHBondContact O-N 3.4Å; R208-F212 WeakPolarHBondContact O-CD2 3.36Å; R208-E388 IonicContact NH1-OE1 3.91Å; R208-E388 PolarHBondContact NH1-OE1 2.83Å; R208-E388 VanDerWaalsContact NH1-OE1 3.09Å; R208-D389 IonicContact CZ-OD1 3.13Å; R208-D389 VanDerWaalsContact CZ-OD1 3.31Å; R208-D389 IonicContact CZ-OD2 2.6Å; R208-D389 VanDerWaalsContact CZ-OD2 3.31Å; R208-D389 IonicContact NH1-OD1 2.88Å; R208-D389 PolarHBondContact NH1-OD1 3.06Å; R208-D389 IonicContact NH1-OD2 2.79Å; R208-D389 PolarHBondContact NH1-OD2 3.27Å; R208-D389 VanDerWaalsContact NH2-CG 3.33Å; R208-D389 IonicContact NH2-OD1 2.69Å; R208-D389 PolarHBondContact NH2-OD1 3.29Å; R208-D389 VanDerWaalsContact NH2-OD1 3.17Å; R208-D389 IonicContact NH2-OD2 3.91Å; R208-D389 PolarHBondContact NH2-OD2 3.34Å
209L37.2Very low35.8Very low59 Ų59112.1 Ų112.131%0.30956%0.555SS.*Hα-helixtrans-68.8-50.9176.3-111.855.3000112.1M211 F212 Y431L209-M211 PolarHBondContact O-N 3.45Å; L209-M211 VanDerWaalsContact O-N 3.12Å; L209-F212 PolarHBondContact O-N 3.44Å; L209-Y431 HydrophobicContact CD2-CE1 3.99Å; L209-Y431 VanDerWaalsContact CD2-OH 3.25Å; L209-Y431 WeakPolarHBondContact CD2-OH 3.4Å
210T38.4Very low35.4Very low76 Ų76109.7 Ų109.747%0.46656%0.557SS.*Hα-helixtrans-65.4-19.9-17154.10000114.4T207 C214T207-T210 PolarHBondContact O-OG1 3.07Å; T210-C214 PolarHBondContact O-SG 2.79Å
211M35.7Very low35.1Very low94 Ų94113.3 Ų113.346%0.46358%0.578SS.*THydrogen-bonded Turntrans-74.9-25.8174.5-66.8-169.6-170.300113.4M1 A5 T207 L209 E213M1-M211 HydrophobicContact CB-CE 3.94Å; M1-M211 HydrophobicContact CB-SD 4.11Å; M1-M211 HydrophobicContact CG-CE 4.41Å; M1-M211 HydrophobicContact CG-SD 3.92Å; A5-M211 HydrophobicContact CB-CE 4.29Å; T207-M211 HydrophobicContact CG2-CE 3.98Å; L209-M211 PolarHBondContact O-N 3.45Å; L209-M211 VanDerWaalsContact O-N 3.12Å; M211-E213 VanDerWaalsContact C-N 3.32Å
212F38Very low35.3Very low158 Ų158112.3 Ų112.369%0.69359%0.586SS**THydrogen-bonded Turntrans-80.1-11.6179.9-78.6-73.4000113.8R208 L209R208-F212 WeakPolarHBondContact O-CD2 3.36Å; L209-F212 PolarHBondContact O-N 3.44Å
213E36.1Very low35.1Very low149 Ų149114.6 Ų114.670%0.69659%0.591SS**THydrogen-bonded Turntrans-92.6-2.6178.7-60.8-174.6129.500113.3M211 T215M211-E213 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 3.01Å
214C29.7Very low34.9Very low103 Ų103116.9 Ų116.970%0.69660%0.603SS**  trans-96.831.1-168.9-73.50000116.4T210T210-C214 PolarHBondContact O-SG 2.79Å
215T32.7Very low34.6Very low134 Ų134119.5 Ų119.582%0.82263%0.627SS**  trans-137.242.6170.143.80000114.6E213E213-T215 PolarHBondContact O-N 3.01Å
216L31.2Very low34.2Very low156 Ų156121 Ų12182%0.81765%0.647SS**  trans-99.6113.5162.6-100.8166.2000110.6K218L216-K218 PolarHBondContact O-N 3.48Å
217P34.2Very low34Very low106 Ų106121.4 Ų121.469%0.68866%0.661SS**  trans-63125.6174.7-21.733.5000111L219P217-L219 PolarHBondContact O-N 3.05Å
218K31.9Very low33.8Very low199 Ų199126.1 Ų126.187%0.86568%0.684SS**  trans-7474.9171.3-71.2-176.6176.9179.10110.5L216 N220L216-K218 PolarHBondContact O-N 3.48Å; K218-N220 PolarHBondContact O-N 2.74Å
219L35.2Very low33.5Very low155 Ų155131 Ų13181%0.81271%0.712SS**  trans-72.579.5164.7-84.5167.8000109.4P217 D221P217-L219 PolarHBondContact O-N 3.05Å; L219-D221 PolarHBondContact O-N 3.11Å
220N30.9Very low33.4Very low152 Ų152136.6 Ų136.681%0.81374%0.736SS**  trans-67.2101.4153.1-73.7-4.9000107.1K218K218-N220 PolarHBondContact O-N 2.74Å
221D34.5Very low32.9Very low150 Ų150141.8 Ų141.880%0.80276%0.755SS**  trans-130.3151.5156-146.7-19.7000109.9L219L219-D221 PolarHBondContact O-N 3.11Å
222V36Very low32.9Very low108 Ų108143.4 Ų143.466%0.65577%0.771SS**  trans-111.2139.4-159.3-173.60000110.2
223N33.4Very low32.6Very low137 Ų137140.8 Ų140.873%0.73377%0.772SS**  trans75.9106.3-177.6-40-76.8000114.9
224H35Very low32.5Very low190 Ų190138.8 Ų138.888%0.8877%0.773SS**  -164151.5116.6-96.6-65.8000109.6
225P30.7Very low33Very low111 Ų111140.5 Ų140.572%0.72178%0.776SS**PPolyproline II helixtrans-92.8154.6-165.135.8-36000114.9
226S27.2Very low33.2Very low105 Ų105141.3 Ų141.373%0.73477%0.77SS**PPolyproline II helixtrans-81.4140.7173.5-43.20000113.4
227P34.5Very low33.5Very low125 Ų125139.6 Ų139.681%0.81276%0.762SS**PPolyproline II helixtrans-95.9118.8143.532.7-23.9000108.2
228L31.2Very low33.6Very low141 Ų141138 Ų13874%0.73875%0.753SS**  cis69.386.325.6-128.3177.6000113.6
229I30.3Very low33.9Very low144 Ų144138.3 Ų138.374%0.73875%0.75SS**  trans21.3117.9151-53.7165.2000117.1
230E34.8Very low34Very low176 Ų176136.9 Ų136.982%0.82275%0.748SS**  trans-120.7114.3149.6-69.8-164.6144.800110.7
231Q27.8Very low34.3Very low185 Ų185134.3 Ų134.386%0.86474%0.742SS**  trans-100.5118.3150.5-75.2-176.2-40.700106.8
232T35.4Very low34.3Very low128 Ų128133.5 Ų133.579%0.78574%0.737SS**  trans-139.2151.3168.645.20000110.3
233S31.6Very low34.4Very low103 Ų103134 Ų13472%0.7274%0.736SS**  trans-134.1-172.3-173.160.50000110.4
234C35.3Very low34.6Very low107 Ų107133.6 Ų133.672%0.72373%0.734SS**  trans74.7140.8173.2-57.20000114.9
235D39Very low34.7Very low139 Ų139130.6 Ų130.674%0.74373%0.725SS**  cis-153.7-163.5-16-121.4-74.4000106.9
236E38.2Very low35Very low150 Ų150132.4 Ų132.470%0.70173%0.728SS**  cis-155.917416.6-158.1-176-131.800109.7
237N36.2Very low35.6Very low121 Ų121131.1 Ų131.165%0.64772%0.724SS**  trans77.9137.9158.1-69.7-62.3000120.8
238S36.9Very low35.8Very low71 Ų71134.6 Ų134.650%0.49773%0.726SS.*  cis-170.5161.6-29.934.50000110.7
239Y38.5Very low36.3Very low207 Ų207136 Ų13681%0.81273%0.727SS**  trans70.3140.7168-53.1-72.4000118.5
240T37.4Very low36.9Very low125 Ų125135.1 Ų135.177%0.76772%0.719SS**  cis-165.6158.3-26.611.20000110.9
241S35.9Very low37.1Very low98 Ų98135.2 Ų135.269%0.68571%0.714SS**  trans83.3103.9147.9-133.50000122.2
242N35.9Very low37.5Very low132 Ų132134.6 Ų134.671%0.70670%0.703SS**  80125.5119.8-77.9-7.4000125.2
243N37.2Very low37.7Very low118 Ų118139.4 Ų139.463%0.63171%0.707SS**  88.296.2127.4-72.8-18.6000122.3
244N37Very low37.9Very low129 Ų129140.2 Ų140.269%0.6970%0.7SS**  77.3130.3108.9-73.8-13.1000122.6
245N38.1Very low37.8Very low128 Ų128139.7 Ų139.768%0.68470%0.697SS**  trans86.2113.5135.6-70-16000121.6
246N37Very low37.6Very low148 Ų148141.6 Ų141.679%0.79170%0.701SS**  86.3116.9125.6-76-31.2000121.8
247A38.9Very low37.5Very low79 Ų79139.6 Ų139.665%0.65370%0.701SS**  108.4112.7118.300000120.3
248K39.1Very low37.1Very low197 Ų197139.1 Ų139.186%0.85771%0.708SS**  trans58.8124.1131.4-58173.2-178.8175.30118.7
249K40.9Very low36.8Very low171 Ų171147.2 Ų147.274%0.74373%0.727SS**  -174.2129.997.7-95.3176.3-179.8176.70110.2
250Q43.3Very low36.2Very low125 Ų125142.3 Ų142.358%0.58472%0.723SS**  67.7141.9102.4-66.7176.2-36.300113.9
251Y40.3Very low35.9Very low179 Ų179144.5 Ų144.570%0.70272%0.722SS**  cis-168.7175.42-109-27.6000107.2
252R36Very low35.4Very low172 Ų172146.6 Ų146.665%0.64973%0.726SS**  cis-173149.9-18-165.1173.2178.8-170.9-2.8104
253R38.3Very low35.3Very low228 Ų228149.6 Ų149.686%0.8673%0.729SS**  cis-138.7179.142.3-49.2-173.6-176.1-159.92.7109.6
254Q35.9Very low34.8Very low121 Ų121151 Ų15157%0.56574%0.737SS**  cis75.110022.8-54.6179.4-70.500114
255S33.5Very low34.6Very low96 Ų96151.4 Ų151.467%0.67174%0.738SS**  76.8144.372.270.10000112.8
256E34.8Very low34Very low178 Ų178152.9 Ų152.983%0.83275%0.746SS**  -158.3179.555.4-89.2-172.2179.800114.6
257P36.1Very low33.8Very low108 Ų108155.1 Ų155.170%0.70174%0.744SS**  trans-119.1-174-159.244.7-34.9000117
258S27.5Very low33.1Very low111 Ų111160.3 Ų160.378%0.77676%0.755SS**  trans71.6120.7150.772.90000121.5
259R31.1Very low32.7Very low241 Ų241159.3 Ų159.391%0.90975%0.751SS**  trans-159.7140.9130.4-111.9170.7-170.7-174.52111.6
260S26.5Very low32.1Very low104 Ų104156.2 Ų156.273%0.72775%0.751SS**  trans-89.7143.5177.852.90000111.8
261F30.7Very low31.5Very low171 Ų171160.5 Ų160.575%0.7576%0.763SS**  trans-138.5115.7157.2-89.6-79.8000109.7Y263F261-Y263 HydrophobicContact CD1-CE2 4.07Å
262N26.4Very low31.3Very low142 Ų142157.9 Ų157.976%0.75977%0.768SS**  trans-78.4141.1159.5-74.26.4000108.2
263Y32.3Very low31.3Very low195 Ų195156.1 Ų156.177%0.76577%0.772SS**  trans-140.197.6156.2-92.7-77.9000108.4F261F261-Y263 HydrophobicContact CD1-CE2 4.07Å
264D27.5Very low31.3Very low149 Ų149152.7 Ų152.780%0.79777%0.765SS**  trans-67.7129.4158.2-67-61.7000108.2
265L32.2Very low31.6Very low136 Ų136150.7 Ų150.771%0.71276%0.758SS**  trans-160.9103.2166.7-117.6157.9000110Y267L265-Y267 HydrophobicContact CD2-CD2 4.33Å; L265-Y267 HydrophobicContact CD2-CE2 4.26Å; L265-Y267 PolarHBondContact O-N 3.32Å
266D26.2Very low31.9Very low160 Ų160153.1 Ų153.186%0.85676%0.759SS**  trans-58127.3171.9-72.7-66.5000111
267Y31.7Very low32.2Very low195 Ų195148.7 Ų148.777%0.76574%0.744SS**  trans-141.2113.4161.9-106.8-77.6000112.4L265 F269L265-Y267 HydrophobicContact CD2-CD2 4.33Å; L265-Y267 HydrophobicContact CD2-CE2 4.26Å; L265-Y267 PolarHBondContact O-N 3.32Å; Y267-F269 HydrophobicContact CD1-CD2 4.21Å; Y267-F269 AromaticContact CD1-CE2 3.87Å; Y267-F269 HydrophobicContact CD1-CE2 3.87Å; Y267-F269 HydrophobicContact CE1-CE2 4.16Å
268Q25.4Very low32.6Very low187 Ų187148.9 Ų148.987%0.87474%0.738SS**  trans-86114.7173.5-65.4176.6-23.800110.6
269F29.6Very low33.8Very low177 Ų177148.4 Ų148.478%0.77672%0.722SS**  trans-141.1108.1154.8-79.7-79.1000107.5Y267Y267-F269 HydrophobicContact CD1-CD2 4.21Å; Y267-F269 AromaticContact CD1-CE2 3.87Å; Y267-F269 HydrophobicContact CD1-CE2 3.87Å; Y267-F269 HydrophobicContact CE1-CE2 4.16Å
270S28.8Very low34.8Very low105 Ų105140 Ų14073%0.73470%0.698SS**  75.29876.2-168.70000111.4
271Y31.2Very low35.9Very low216 Ų216139.2 Ų139.285%0.84769%0.685SS**PPolyproline II helixtrans-63.1137.4175.5-68.4-95.4000111.1N273Y271-N273 PolarHBondContact O-N 3.42Å
272P36.5Very low37.3Very low123 Ų123136.6 Ų136.680%0.79968%0.675SS**PPolyproline II helixtrans-68.6128.2157.730-31.4000108.9
273N35.2Very low39.1Very low136 Ų136136.1 Ų136.173%0.72767%0.668SS**PPolyproline II helixtrans-62142.4-174.4-72.3-39.7000112.8Y271 D275Y271-N273 PolarHBondContact O-N 3.42Å; N273-D275 HydrophobicContact CB-CB 4.1Å; N273-D275 PolarHBondContact O-N 3.05Å
274H37.6Very low40.3Very low155 Ų155131.4 Ų131.472%0.71866%0.655SS**THydrogen-bonded Turntrans-59.4-1.1171.5-91.9-76.8000115.3H276 T277 L278H274-H276 VanDerWaalsContact C-N 3.31Å; H274-H276 PolarHBondContact O-N 3.31Å; H274-T277 PolarHBondContact O-N 3.31Å; H274-L278 PolarHBondContact O-N 3.03Å
275D42.8Very low41.8Very low80 Ų80129.5 Ų129.543%0.42864%0.641SS.*Hα-helixtrans-60.5-34.2-176.1-129.344.5000113.2N273 K279N273-D275 HydrophobicContact CB-CB 4.1Å; N273-D275 PolarHBondContact O-N 3.05Å; D275-K279 VanDerWaalsContact O-CB 3.26Å; D275-K279 WeakPolarHBondContact O-CB 3.34Å; D275-K279 VanDerWaalsContact O-CG 3.28Å; D275-K279 WeakPolarHBondContact O-CG 3.3Å; D275-K279 PolarHBondContact O-N 3.47Å; D275-K279 WeakPolarHBondContact OD2-CE 3.31Å; D275-K279 IonicContact OD2-NZ 3.84Å; D275-K279 PolarHBondContact OD2-NZ 3.32Å
276H39.2Very low43.4Very low147 Ų147126.4 Ų126.468%0.68163%0.625SS**Hα-helixtrans-72.6-37.8-178.6-101.8-81.7000113.3H274 T280H274-H276 VanDerWaalsContact C-N 3.31Å; H274-H276 PolarHBondContact O-N 3.31Å; H276-T280 WeakPolarHBondContact O-CB 3.23Å; H276-T280 PolarHBondContact O-N 3.01Å; H276-T280 PolarHBondContact O-OG1 3.44Å
277T40.8Very low45.2Very low84 Ų84122.1 Ų122.152%0.51561%0.608SS.*Hα-helixtrans-67.6-43.7176.7-28.10000110.5H274 T280 I281H274-T277 PolarHBondContact O-N 3.31Å; T277-T280 PolarHBondContact O-N 3.06Å; T277-I281 WeakPolarHBondContact O-CG1 2.88Å; T277-I281 PolarHBondContact O-N 3.1Å
278L44.5Very low46Very low112 Ų112117.8 Ų117.859%0.58660%0.598SS**Hα-helixtrans-64.1-46.1175.7-75.1168.9000112H274 T280 I281 E282H274-L278 PolarHBondContact O-N 3.03Å; L278-T280 VanDerWaalsContact C-N 3.28Å; L278-T280 PolarHBondContact O-N 3.22Å; L278-I281 PolarHBondContact O-N 2.89Å; L278-E282 WeakPolarHBondContact O-CB 3.39Å; L278-E282 PolarHBondContact O-N 3.02Å
279K54.2Low47.8Very low101 Ų101114.8 Ų114.844%0.43958%0.582SS.*Hα-helixtrans-62-33.1174.8-78.8167.3175.6161.20113D275 Q283D275-K279 VanDerWaalsContact O-CB 3.26Å; D275-K279 WeakPolarHBondContact O-CB 3.34Å; D275-K279 VanDerWaalsContact O-CG 3.28Å; D275-K279 WeakPolarHBondContact O-CG 3.3Å; D275-K279 PolarHBondContact O-N 3.47Å; D275-K279 WeakPolarHBondContact OD2-CE 3.31Å; D275-K279 IonicContact OD2-NZ 3.84Å; D275-K279 PolarHBondContact OD2-NZ 3.32Å; K279-Q283 VanDerWaalsContact O-CB 3.24Å; K279-Q283 WeakPolarHBondContact O-CB 3.47Å; K279-Q283 WeakPolarHBondContact O-CG 3.13Å; K279-Q283 PolarHBondContact O-N 3.11Å
280T51.3Low49Very low66 Ų66112.1 Ų112.141%0.40557%0.572SS.*Hα-helixtrans-69.5-43175.8-55.80000111.1H276 T277 L278 Q283 I284H276-T280 WeakPolarHBondContact O-CB 3.23Å; H276-T280 PolarHBondContact O-N 3.01Å; H276-T280 PolarHBondContact O-OG1 3.44Å; T277-T280 PolarHBondContact O-N 3.06Å; L278-T280 VanDerWaalsContact C-N 3.28Å; L278-T280 PolarHBondContact O-N 3.22Å; T280-Q283 PolarHBondContact O-N 3.33Å; T280-I284 HydrophobicContact CG2-CD1 4.12Å; T280-I284 VanDerWaalsContact O-CG1 3.27Å; T280-I284 WeakPolarHBondContact O-CG1 3.41Å; T280-I284 PolarHBondContact O-N 2.83Å
281I50Low49.7Very low87 Ų87112.6 Ų112.645%0.44657%0.565SS.*Hα-helixtrans-65.1-42.4175.2-67.4165.8000110.9T277 L278 I284 Q285T277-I281 WeakPolarHBondContact O-CG1 2.88Å; T277-I281 PolarHBondContact O-N 3.1Å; L278-I281 PolarHBondContact O-N 2.89Å; I281-I284 PolarHBondContact O-N 3.18Å; I281-Q285 WeakPolarHBondContact O-CG 3.25Å; I281-Q285 PolarHBondContact O-N 3.12Å
282E60.5Low50.3Low116 Ų116109.6 Ų109.654%0.54256%0.564SS.*Hα-helixtrans-67.6-38.1177.1-174.2173.2-139.500112.2L278 Q285 N286L278-E282 WeakPolarHBondContact O-CB 3.39Å; L278-E282 PolarHBondContact O-N 3.02Å; E282-Q285 PolarHBondContact O-N 3.36Å; E282-N286 VanDerWaalsContact O-CB 3.32Å; E282-N286 WeakPolarHBondContact O-CB 3.35Å; E282-N286 VanDerWaalsContact O-CG 3.32Å; E282-N286 PolarHBondContact O-N 3.41Å; E282-N286 PolarHBondContact O-ND2 3.13Å; E282-N286 VanDerWaalsContact O-ND2 3.11Å
283Q64Low50.9Low131 Ų131111.3 Ų111.361%0.61256%0.561SS**Hα-helixtrans-62.2-45.5170.5-80.1176.8-11.200111.3K279 T280 Q285 N286 S287K279-Q283 VanDerWaalsContact O-CB 3.24Å; K279-Q283 WeakPolarHBondContact O-CB 3.47Å; K279-Q283 WeakPolarHBondContact O-CG 3.13Å; K279-Q283 PolarHBondContact O-N 3.11Å; T280-Q283 PolarHBondContact O-N 3.33Å; Q283-Q285 PolarHBondContact O-N 3.42Å; Q283-N286 PolarHBondContact O-N 2.92Å; Q283-S287 WeakPolarHBondContact O-CB 3.44Å; Q283-S287 PolarHBondContact O-N 2.91Å; Q283-S287 PolarHBondContact O-OG 3.14Å; Q283-S287 VanDerWaalsContact O-OG 3.13Å
284I57.4Low51.3Low97 Ų97112.3 Ų112.350%0.49756%0.559SS.*Hα-helixtrans-61.4-44.1176.1-70.4165.2000111.1T280 I281 N286 S287 L288T280-I284 HydrophobicContact CG2-CD1 4.12Å; T280-I284 VanDerWaalsContact O-CG1 3.27Å; T280-I284 WeakPolarHBondContact O-CG1 3.41Å; T280-I284 PolarHBondContact O-N 2.83Å; I281-I284 PolarHBondContact O-N 3.18Å; I284-N286 PolarHBondContact O-N 3.08Å; I284-S287 PolarHBondContact O-N 2.9Å; I284-L288 HydrophobicContact CG2-CD1 4.04Å; I284-L288 WeakPolarHBondContact O-CB 3.24Å; I284-L288 WeakPolarHBondContact O-CG 3.41Å; I284-L288 PolarHBondContact O-N 2.98Å
285Q59.4Low51.3Low109 Ų109112.5 Ų112.551%0.50957%0.565SS.*Hα-helixtrans-63.8-37.7175.7-74.1-174.1200112.8I281 E282 Q283 K289I281-Q285 WeakPolarHBondContact O-CG 3.25Å; I281-Q285 PolarHBondContact O-N 3.12Å; E282-Q285 PolarHBondContact O-N 3.36Å; Q283-Q285 PolarHBondContact O-N 3.42Å; Q285-K289 WeakPolarHBondContact O-CG 3.22Å; Q285-K289 PolarHBondContact O-N 3.07Å
286N65Low51.1Low70 Ų70115.8 Ų115.837%0.37458%0.582SS.*Hα-helixtrans-74.9-33176.8-74.6-37.2000112.6E282 Q283 I284 K289 Q290E282-N286 VanDerWaalsContact O-CB 3.32Å; E282-N286 WeakPolarHBondContact O-CB 3.35Å; E282-N286 VanDerWaalsContact O-CG 3.32Å; E282-N286 PolarHBondContact O-N 3.41Å; E282-N286 PolarHBondContact O-ND2 3.13Å; E282-N286 VanDerWaalsContact O-ND2 3.11Å; Q283-N286 PolarHBondContact O-N 2.92Å; I284-N286 PolarHBondContact O-N 3.08Å; N286-K289 PolarHBondContact O-N 3Å; N286-Q290 WeakPolarHBondContact O-CG 3.44Å; N286-Q290 PolarHBondContact O-N 3.41Å
287S63.5Low51Low71 Ų71116 Ų11650%0.49759%0.588SS.*Hα-helixtrans-64.9-41.4170-67.90000111.8Q283 I284 Q290 L291Q283-S287 WeakPolarHBondContact O-CB 3.44Å; Q283-S287 PolarHBondContact O-N 2.91Å; Q283-S287 PolarHBondContact O-OG 3.14Å; Q283-S287 VanDerWaalsContact O-OG 3.13Å; I284-S287 PolarHBondContact O-N 2.9Å; S287-Q290 PolarHBondContact O-N 2.92Å; S287-L291 WeakPolarHBondContact O-CG 3.46Å; S287-L291 PolarHBondContact O-N 3.16Å; S287-L291 VanDerWaalsContact O-N 3.1Å
288L49.9Very low50.7Low104 Ų104116.6 Ų116.655%0.54560%0.596SS.*Hα-helixtrans-63.9-44.3174.1-72.2167000111.7I284 Q290 L291 D292I284-L288 HydrophobicContact CG2-CD1 4.04Å; I284-L288 WeakPolarHBondContact O-CB 3.24Å; I284-L288 WeakPolarHBondContact O-CG 3.41Å; I284-L288 PolarHBondContact O-N 2.98Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 2.9Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 PolarHBondContact O-N 3.42Å; L288-L291 VanDerWaalsContact O-N 3.08Å; L288-D292 PolarHBondContact O-N 3.49Å; L288-D292 VanDerWaalsContact O-N 3.15Å
289K61.9Low50Low123 Ų123118.7 Ų118.754%0.53561%0.608SS.*Hα-helixtrans-61.3-30.2173.3-75.6172.1-179.6169.90113.7Q285 N286 Q293Q285-K289 WeakPolarHBondContact O-CG 3.22Å; Q285-K289 PolarHBondContact O-N 3.07Å; N286-K289 PolarHBondContact O-N 3Å; K289-Q293 WeakPolarHBondContact O-CG 3.44Å
290Q54.4Low49.1Very low122 Ų122123.1 Ų123.157%0.5763%0.627SS**Hα-helixtrans-80-18.5175-75.9-175.141.900113.8N286 S287 L288N286-Q290 WeakPolarHBondContact O-CG 3.44Å; N286-Q290 PolarHBondContact O-N 3.41Å; S287-Q290 PolarHBondContact O-N 2.92Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 2.9Å
291L44.6Very low48.4Very low115 Ų115124.9 Ų124.960%0.60264%0.638SS**Hα-helixtrans-76.9-48.8171.1-74.4162.5000110.4S287 L288 Q293 K294S287-L291 WeakPolarHBondContact O-CG 3.46Å; S287-L291 PolarHBondContact O-N 3.16Å; S287-L291 VanDerWaalsContact O-N 3.1Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 PolarHBondContact O-N 3.42Å; L288-L291 VanDerWaalsContact O-N 3.08Å; L291-Q293 PolarHBondContact O-N 3.43Å; L291-K294 PolarHBondContact O-N 2.83Å; L291-K294 VanDerWaalsContact O-N 3.08Å
292D43.5Very low47.6Very low152 Ų152127.9 Ų127.981%0.81366%0.655SS**THydrogen-bonded Turntrans-59.2-14.1176.2-90.3-12.7000114.5L288L288-D292 PolarHBondContact O-N 3.49Å; L288-D292 VanDerWaalsContact O-N 3.15Å
293Q48.9Very low46.1Very low159 Ų159129.6 Ų129.674%0.74367%0.667SS**THydrogen-bonded Turntrans-105.5-0.7179-70.1-171.4-9.800114.8K289 L291K289-Q293 WeakPolarHBondContact O-CG 3.44Å; L291-Q293 PolarHBondContact O-N 3.43Å
294K43Very low44.7Very low157 Ų157128.9 Ų128.968%0.68367%0.671SS**THydrogen-bonded Turntrans-98.9-16.4-174.4-100177.8176172.20116.4L291 L296L291-K294 PolarHBondContact O-N 2.83Å; L291-K294 VanDerWaalsContact O-N 3.08Å; K294-L296 PolarHBondContact O-N 2.85Å; K294-L296 VanDerWaalsContact O-N 3.17Å
295D39.4Very low43.4Very low159 Ų159129.5 Ų129.585%0.8568%0.68SS**SBendtrans-81.514.2-179.8-73.2-18.1000114.5
296L37.8Very low42.3Very low149 Ų149131.1 Ų131.178%0.7869%0.692SS**  trans-127.962.6178.3-76.6171.2000112.8K294K294-L296 PolarHBondContact O-N 2.85Å; K294-L296 VanDerWaalsContact O-N 3.17Å
297N36.6Very low40.7Very low151 Ų151134.2 Ų134.281%0.80771%0.708SS**SBendtrans-164.896.7150.2-98.3-40.6000114.9
298S35.9Very low39.4Very low97 Ų97137 Ų13768%0.67872%0.718SS**  trans27.3107147.262.60000121.9
299N29.7Very low38.7Very low156 Ų156137.1 Ų137.183%0.83472%0.723SS**  38.5116.1122.6-57.3-19.7000120.7
300K34.4Very low37.3Very low194 Ų194137.2 Ų137.284%0.84373%0.734SS**  -173.6137.2119-108.9179.6178.3177.90117.2
301T36.4Very low36.2Very low103 Ų103137.4 Ų137.463%0.63274%0.744SS**  trans60.2113.5146.150.80000123.5
302N32.9Very low35.5Very low150 Ų150137 Ų13780%0.80275%0.751SS**  trans72.4161.8132-51.1-5.2000120
303L29.3Very low35Very low153 Ų153135.5 Ų135.580%0.80175%0.752SS**  cis179.3168.7-38.9-16863.8000106.4
304V34.1Very low34.2Very low116 Ų116132.9 Ų132.970%0.70375%0.751SS**  trans76.999.3170.9-1720000113.5
305T31.7Very low33.8Very low110 Ų110133.4 Ų133.468%0.67576%0.76SS**  78.6113.75669.80000116
306N35Very low33.4Very low143 Ų143133.4 Ų133.477%0.76576%0.759SS**  163.6104.3125.3-81.30.7000113.8
307D32.7Very low33.1Very low134 Ų134131.7 Ų131.772%0.71776%0.76SS**  48.9125109-71.232.1000123.4
308N36.3Very low33.1Very low130 Ų130129.2 Ų129.270%0.69575%0.754SS**  117.2111.1122.2-76.9-19.7000123.5
309T33.3Very low33Very low107 Ų107131.6 Ų131.666%0.65676%0.76SS**  78.3128.6125.558.60000124.5
310T33.2Very low33.5Very low124 Ų124131.7 Ų131.776%0.76176%0.76SS**  trans70.5150.4139.953.20000119.5
311T32.6Very low33.9Very low127 Ų127127.6 Ų127.678%0.77975%0.748SS**  cis-147.4163.15.4-12.80000113
312S29.7Very low34.1Very low107 Ų107127.6 Ų127.675%0.74874%0.744SS**  trans-46.4147.2171.953.30000119.2
313S33Very low34.5Very low120 Ų120128.4 Ų128.484%0.83974%0.742SS**  -159.4126.8124.961.10000113.3
314S30.5Very low35Very low103 Ų103127.5 Ų127.572%0.7274%0.737SS**  trans-59.6155.6177.150.40000117.5
315I34.9Very low35.2Very low169 Ų169126.5 Ų126.587%0.86772%0.724SS**  -157.9145.7129.1-98.6149.8000108.6
316N31.8Very low35.5Very low158 Ų158125.6 Ų125.685%0.84572%0.715SS**  trans-100.5151.1-175.1-62.7-23.8000112.3
317S32.1Very low35.5Very low114 Ų114122.9 Ų122.980%0.79771%0.707SS**  trans-154.7151.5155.9-160.50000112.2
318S35.8Very low35.6Very low98 Ų98121.7 Ų121.769%0.68570%0.7SS**  trans-42.4130.5-179.244.60000115
319N33.8Very low35.8Very low148 Ų148119.4 Ų119.479%0.79169%0.688SS**  62.896.474.1-76.7-5.7000114.3
320D40.2Very low36.5Very low158 Ų158119 Ų11985%0.84568%0.681SS**  trans-170.8-23.4149.9-107.6-23.4000114N322D320-N322 PolarHBondContact O-N 3.27Å
321D42.8Very low37.1Very low108 Ų108118 Ų11858%0.57867%0.668SS**THydrogen-bonded Turntrans-52.4-10.9-174.2-77.8-18.4000119.2H323 L324 K325D321-H323 VanDerWaalsContact C-N 3.27Å; D321-H323 PolarHBondContact O-N 3.18Å; D321-H323 VanDerWaalsContact O-N 3.11Å; D321-L324 PolarHBondContact O-N 2.95Å; D321-K325 HydrophobicContact CB-CD 3.87Å; D321-K325 VanDerWaalsContact CB-CE 3.46Å; D321-K325 PolarHBondContact O-N 3.17Å; D321-K325 WeakPolarHBondContact OD2-CE 3.5Å; D321-K325 IonicContact OD2-NZ 3.31Å; D321-K325 PolarHBondContact OD2-NZ 3.36Å
322N41.5Very low37.8Very low103 Ų103117.4 Ų117.455%0.55166%0.658SS**Hα-helixtrans-65.7-24.5-158.2-73.3-21000114.4D320 N326D320-N322 PolarHBondContact O-N 3.27Å; N322-N326 PolarHBondContact O-N 3.49Å
323H40.7Very low39.4Very low166 Ų166115.3 Ų115.377%0.76964%0.639SS**Hα-helixtrans-74.8-38.2-178.8-120.2-80.8000113.8D321 N326D321-H323 VanDerWaalsContact C-N 3.27Å; D321-H323 PolarHBondContact O-N 3.18Å; D321-H323 VanDerWaalsContact O-N 3.11Å; H323-N326 PolarHBondContact O-N 2.85Å
324L38.6Very low40.8Very low134 Ų134111.2 Ų111.270%0.70261%0.612SS**Hα-helixtrans-70.9-39.4175.1-108.3151.9000111.1D321 N326 S327 L328D321-L324 PolarHBondContact O-N 2.95Å; L324-N326 VanDerWaalsContact C-N 3.26Å; L324-N326 PolarHBondContact O-N 3.21Å; L324-S327 PolarHBondContact O-N 2.95Å; L324-L328 PolarHBondContact O-N 3.31Å
325K39.3Very low42.5Very low95 Ų95112.1 Ų112.141%0.41360%0.603SS.*Hα-helixtrans-57.5-37.1174.3-72.7171.6-177.8162.20111.9D321 S327 N329D321-K325 HydrophobicContact CB-CD 3.87Å; D321-K325 VanDerWaalsContact CB-CE 3.46Å; D321-K325 PolarHBondContact O-N 3.17Å; D321-K325 WeakPolarHBondContact OD2-CE 3.5Å; D321-K325 IonicContact OD2-NZ 3.31Å; D321-K325 PolarHBondContact OD2-NZ 3.36Å; K325-S327 PolarHBondContact O-N 3.18Å; K325-N329 WeakPolarHBondContact O-CB 3.48Å; K325-N329 PolarHBondContact O-N 3.42Å; K325-N329 PolarHBondContact O-ND2 3.1Å
326N38.4Very low44.2Very low92 Ų92107.8 Ų107.849%0.49258%0.581SS.*Hα-helixtrans-68.3-31.5178.2-80.8-22.2000114.8N322 H323 L324 N330N322-N326 PolarHBondContact O-N 3.49Å; H323-N326 PolarHBondContact O-N 2.85Å; L324-N326 VanDerWaalsContact C-N 3.26Å; L324-N326 PolarHBondContact O-N 3.21Å; N326-N330 PolarHBondContact O-N 3.2Å; N326-N330 PolarHBondContact O-ND2 2.86Å; N326-N330 VanDerWaalsContact O-ND2 3.09Å
327S35.1Very low45.9Very low86 Ų86100.7 Ų100.760%0.60154%0.543SS*.Hα-helixtrans-70.7-51174.5-163.90000110.9L324 K325 N329 N330 E331L324-S327 PolarHBondContact O-N 2.95Å; K325-S327 PolarHBondContact O-N 3.18Å; S327-N329 VanDerWaalsContact C-N 3.32Å; S327-N329 PolarHBondContact O-N 3.12Å; S327-N330 PolarHBondContact O-N 3.23Å; S327-N330 VanDerWaalsContact O-N 3.09Å; S327-E331 PolarHBondContact O-N 3.37Å
328L34Very low47.5Very low109 Ų109100 Ų10057%0.57153%0.526SS*.Hα-helixtrans-58.2-41.5175.2-83.1157.5000112.3L324 N330 E331 M332L324-L328 PolarHBondContact O-N 3.31Å; L328-N330 VanDerWaalsContact C-N 3.29Å; L328-N330 PolarHBondContact O-N 3.26Å; L328-E331 PolarHBondContact O-N 2.94Å; L328-M332 VanDerWaalsContact O-CB 3.22Å; L328-M332 WeakPolarHBondContact O-CB 3.48Å; L328-M332 PolarHBondContact O-N 3.28Å
329N41.5Very low49.2Very low82 Ų82100.9 Ų100.944%0.43952%0.519SS..Hα-helixtrans-60.9-34.8176.3-79.3-21.3000112.6K325 S327 N333K325-N329 WeakPolarHBondContact O-CB 3.48Å; K325-N329 PolarHBondContact O-N 3.42Å; K325-N329 PolarHBondContact O-ND2 3.1Å; S327-N329 VanDerWaalsContact C-N 3.32Å; S327-N329 PolarHBondContact O-N 3.12Å; N329-N333 WeakPolarHBondContact O-CB 3.49Å; N329-N333 PolarHBondContact O-N 3.13Å; N329-N333 PolarHBondContact O-ND2 3.01Å
330N46.9Very low50.8Low97 Ų9797.4 Ų97.452%0.51950%0.498SS..Hα-helixtrans-70.7-41.2177.5-77.8-38.9000111.8N326 S327 L328 N333 A334N326-N330 PolarHBondContact O-N 3.2Å; N326-N330 PolarHBondContact O-ND2 2.86Å; N326-N330 VanDerWaalsContact O-ND2 3.09Å; S327-N330 PolarHBondContact O-N 3.23Å; S327-N330 VanDerWaalsContact O-N 3.09Å; L328-N330 VanDerWaalsContact C-N 3.29Å; L328-N330 PolarHBondContact O-N 3.26Å; N330-N333 PolarHBondContact O-N 3.46Å; N330-A334 PolarHBondContact O-N 2.99Å
331E46.8Very low52.2Low103 Ų10390.6 Ų90.648%0.48146%0.461SS..Hα-helixtrans-70.2-41.2176.9-155.7-160.613700112.1S327 L328 N333 A334 K335S327-E331 PolarHBondContact O-N 3.37Å; L328-E331 PolarHBondContact O-N 2.94Å; E331-N333 VanDerWaalsContact C-N 3.34Å; E331-N333 PolarHBondContact O-N 3.24Å; E331-A334 WeakPolarHBondContact O-CB 3.26Å; E331-A334 PolarHBondContact O-N 3.42Å; E331-K335 PolarHBondContact O-N 3.23Å; E331-K335 VanDerWaalsContact OE1-CE 3.23Å; E331-K335 WeakPolarHBondContact OE1-CE 3.48Å; E331-K335 IonicContact OE1-NZ 3.03Å; E331-K335 PolarHBondContact OE1-NZ 2.88Å
332M47.5Very low53.4Low116 Ų11690.5 Ų90.557%0.57146%0.458SS*.Hα-helixtrans-61.2-42173.3-160.973.9165.200110.9L328 K335 N336L328-M332 VanDerWaalsContact O-CB 3.22Å; L328-M332 WeakPolarHBondContact O-CB 3.48Å; L328-M332 PolarHBondContact O-N 3.28Å; M332-K335 PolarHBondContact O-N 2.98Å; M332-N336 WeakPolarHBondContact O-CB 3.29Å; M332-N336 PolarHBondContact O-N 2.97Å; M332-N336 PolarHBondContact O-ND2 3.02Å
333N63.5Low54.8Low63 Ų6387.4 Ų87.434%0.33744%0.443SS..Hα-helixtrans-62.5-42.8172.3-88.6-63.3000112.1N329 N330 E331 N336 I337N329-N333 WeakPolarHBondContact O-CB 3.49Å; N329-N333 PolarHBondContact O-N 3.13Å; N329-N333 PolarHBondContact O-ND2 3.01Å; N330-N333 PolarHBondContact O-N 3.46Å; E331-N333 VanDerWaalsContact C-N 3.34Å; E331-N333 PolarHBondContact O-N 3.24Å; N333-N336 PolarHBondContact O-N 2.66Å; N333-I337 WeakPolarHBondContact O-CB 3.21Å; N333-I337 WeakPolarHBondContact O-CD1 3.33Å; N333-I337 WeakPolarHBondContact O-CG1 3.45Å; N333-I337 PolarHBondContact O-N 3.16Å
334A61.1Low55.9Low33 Ų3379.7 Ų79.727%0.27341%0.407SS..Hα-helixtrans-60.3-48177.100000111.4N330 E331 N336 I337 F338N330-A334 PolarHBondContact O-N 2.99Å; E331-A334 WeakPolarHBondContact O-CB 3.26Å; E331-A334 PolarHBondContact O-N 3.42Å; A334-N336 PolarHBondContact O-N 2.61Å; A334-I337 PolarHBondContact O-N 3.06Å; A334-I337 VanDerWaalsContact O-N 3.17Å; A334-F338 VanDerWaalsContact O-CD2 3.28Å; A334-F338 WeakPolarHBondContact O-CD2 3.28Å; A334-F338 PolarHBondContact O-N 3.28Å
335K67.1Low57.3Low123 Ų12376.8 Ų76.854%0.53539%0.39SS..Hα-helixtrans-59.1-44.1175.1-73167170.6169.40111.9E331 M332 I337 F338 H339E331-K335 PolarHBondContact O-N 3.23Å; E331-K335 VanDerWaalsContact OE1-CE 3.23Å; E331-K335 WeakPolarHBondContact OE1-CE 3.48Å; E331-K335 IonicContact OE1-NZ 3.03Å; E331-K335 PolarHBondContact OE1-NZ 2.88Å; M332-K335 PolarHBondContact O-N 2.98Å; K335-I337 VanDerWaalsContact C-N 3.33Å; K335-I337 PolarHBondContact O-N 3.47Å; K335-F338 PolarHBondContact O-N 3.48Å; K335-H339 PolarHBondContact O-N 3.49Å
336N70.8Confident58.7Low78 Ų7878.8 Ų78.842%0.41740%0.401SS..Hα-helixtrans-65.6-31.5175.8-71.7-20000113.5M332 N333 A334 Q340M332-N336 WeakPolarHBondContact O-CB 3.29Å; M332-N336 PolarHBondContact O-N 2.97Å; M332-N336 PolarHBondContact O-ND2 3.02Å; N333-N336 PolarHBondContact O-N 2.66Å; A334-N336 PolarHBondContact O-N 2.61Å; N336-Q340 WeakPolarHBondContact O-CB 3.27Å; N336-Q340 WeakPolarHBondContact O-CG 3.39Å; N336-Q340 PolarHBondContact O-N 3.1Å; N336-Q340 VanDerWaalsContact O-N 3.13Å; N336-Q340 PolarHBondContact O-NE2 2.73Å
337I66.3Low59.9Low8 Ų880.9 Ų80.94%0.04141%0.405CS..Hα-helixtrans-71.8-44.9174.5-72.8160.8000110.3N333 A334 K335 H339 Q340 I341 Y452 P455 R456 L459N333-I337 WeakPolarHBondContact O-CB 3.21Å; N333-I337 WeakPolarHBondContact O-CD1 3.33Å; N333-I337 WeakPolarHBondContact O-CG1 3.45Å; N333-I337 PolarHBondContact O-N 3.16Å; A334-I337 PolarHBondContact O-N 3.06Å; A334-I337 VanDerWaalsContact O-N 3.17Å; K335-I337 VanDerWaalsContact C-N 3.33Å; K335-I337 PolarHBondContact O-N 3.47Å; I337-H339 PolarHBondContact O-N 2.93Å; I337-Q340 PolarHBondContact O-N 3.07Å; I337-I341 HydrophobicContact CG2-CD1 4.44Å; I337-I341 WeakPolarHBondContact O-CB 3.01Å; I337-I341 PolarHBondContact O-N 3.34Å; I337-Y452 HydrophobicContact CD1-CD2 4.11Å; I337-Y452 HydrophobicContact CD1-CE2 4.06Å; I337-P455 HydrophobicContact CG2-CB 3.46Å; I337-P455 VanDerWaalsContact CG2-CB 3.46Å; I337-R456 HydrophobicContact CD1-CG 3.96Å; I337-L459 HydrophobicContact CG2-CD1 4.16Å
338F66.9Low61.2Low101 Ų10179.1 Ų79.144%0.44339%0.387SS..Hα-helixtrans-61.5-42.1175.8-85-68000112.5A334 K335 I341 Q342 Y451A334-F338 VanDerWaalsContact O-CD2 3.28Å; A334-F338 WeakPolarHBondContact O-CD2 3.28Å; A334-F338 PolarHBondContact O-N 3.28Å; K335-F338 PolarHBondContact O-N 3.48Å; F338-I341 WeakPolarHBondContact O-CB 3.23Å; F338-I341 PolarHBondContact O-N 3.25Å; F338-Q342 PolarHBondContact O-N 2.81Å; F338-Y451 AromaticContact CZ-CD1 3.98Å; F338-Y451 HydrophobicContact CZ-CD1 3.98Å; F338-Y451 HydrophobicContact CZ-CE1 4.35Å
339H70.1Confident62.7Low115 Ų11581 Ų8153%0.53240%0.398SS..Hα-helixtrans-65.6-41.3175.7-173.960.9000112.3K335 I337 I341 Q342 V343K335-H339 PolarHBondContact O-N 3.49Å; I337-H339 PolarHBondContact O-N 2.93Å; H339-I341 VanDerWaalsContact C-N 3.3Å; H339-I341 PolarHBondContact O-N 3.17Å; H339-Q342 PolarHBondContact O-N 3.03Å; H339-V343 WeakPolarHBondContact O-CB 3.43Å; H339-V343 WeakPolarHBondContact O-CG2 3.39Å; H339-V343 PolarHBondContact O-N 3.2Å
340Q68.3Low63.9Low76 Ų7679.3 Ų79.336%0.35539%0.389SS..Hα-helixtrans-61.4-36.9172.1-81.3169.793.200112.5N336 I337 M344 L459N336-Q340 WeakPolarHBondContact O-CB 3.27Å; N336-Q340 WeakPolarHBondContact O-CG 3.39Å; N336-Q340 PolarHBondContact O-N 3.1Å; N336-Q340 VanDerWaalsContact O-N 3.13Å; N336-Q340 PolarHBondContact O-NE2 2.73Å; I337-Q340 PolarHBondContact O-N 3.07Å; Q340-M344 VanDerWaalsContact O-CB 3.32Å; Q340-M344 WeakPolarHBondContact O-CB 3.47Å; Q340-M344 PolarHBondContact O-N 2.99Å; Q340-L459 HydrophobicContact CB-CD1 3.78Å; Q340-L459 HydrophobicContact CB-CD2 3.84Å
341I68.9Low65.1Low14 Ų1477.6 Ų77.67%0.07238%0.383CS..Hα-helixtrans-61.7-48.3172.8-91.1175.4000111.5I337 F338 H339 V343 M344 E345 M352 P455I337-I341 HydrophobicContact CG2-CD1 4.44Å; I337-I341 WeakPolarHBondContact O-CB 3.01Å; I337-I341 PolarHBondContact O-N 3.34Å; F338-I341 WeakPolarHBondContact O-CB 3.23Å; F338-I341 PolarHBondContact O-N 3.25Å; H339-I341 VanDerWaalsContact C-N 3.3Å; H339-I341 PolarHBondContact O-N 3.17Å; I341-V343 VanDerWaalsContact C-N 3.32Å; I341-V343 PolarHBondContact O-N 3.01Å; I341-M344 HydrophobicContact CG1-CE 4.46Å; I341-M344 CarbonylContact O-C 3.56Å; I341-M344 WeakPolarHBondContact O-CA 3.37Å; I341-M344 WeakPolarHBondContact O-CB 3.38Å; I341-M344 PolarHBondContact O-N 3.3Å; I341-E345 WeakPolarHBondContact O-CB 3.47Å; I341-E345 PolarHBondContact O-N 2.79Å; I341-M352 HydrophobicContact CB-CE 4.42Å; I341-M352 HydrophobicContact CD1-CE 4.27Å; I341-M352 HydrophobicContact CG1-CE 3.96Å; I341-M352 HydrophobicContact CG2-CE 3.91Å; I341-P455 HydrophobicContact CD1-CB 3.57Å; I341-P455 HydrophobicContact CD1-CG 3.89Å
342Q68.5Low66.3Low106 Ų10674 Ų7450%0.49537%0.366SS..Hα-helixtrans-63.6-41-178.7-167.9178.814.100111.1F338 H339 M344 E345 Q346F338-Q342 PolarHBondContact O-N 2.81Å; H339-Q342 PolarHBondContact O-N 3.03Å; Q342-M344 VanDerWaalsContact C-N 3.28Å; Q342-M344 PolarHBondContact O-N 2.89Å; Q342-E345 PolarHBondContact O-N 3.12Å; Q342-Q346 WeakPolarHBondContact O-CB 3.46Å; Q342-Q346 VanDerWaalsContact O-CG 3.28Å; Q342-Q346 WeakPolarHBondContact O-CG 3.43Å; Q342-Q346 PolarHBondContact O-N 3.08Å
343V69.8Low67.7Low39 Ų3970.6 Ų70.624%0.23635%0.349CS..Hα-helixtrans-65.1-29.8172.9169.30000112.4H339 I341 K347H339-V343 WeakPolarHBondContact O-CB 3.43Å; H339-V343 WeakPolarHBondContact O-CG2 3.39Å; H339-V343 PolarHBondContact O-N 3.2Å; I341-V343 VanDerWaalsContact C-N 3.32Å; I341-V343 PolarHBondContact O-N 3.01Å; V343-K347 HydrophobicContact CG1-CD 4Å; V343-K347 VanDerWaalsContact CG1-NZ 3.29Å; V343-K347 WeakPolarHBondContact O-CB 3.23Å; V343-K347 VanDerWaalsContact O-CD 3.31Å; V343-K347 WeakPolarHBondContact O-CD 3.45Å; V343-K347 WeakPolarHBondContact O-CG 3.25Å; V343-K347 PolarHBondContact O-N 3.43Å
344M65.7Low68.2Low3 Ų372.4 Ų72.42%0.01536%0.355CS..Hα-helixtrans-77-43.7176-177.7-176.67400111.8Q340 I341 Q342 Q346 K347 Q348 M352 L355 L458 L459 D462Q340-M344 VanDerWaalsContact O-CB 3.32Å; Q340-M344 WeakPolarHBondContact O-CB 3.47Å; Q340-M344 PolarHBondContact O-N 2.99Å; I341-M344 HydrophobicContact CG1-CE 4.46Å; I341-M344 CarbonylContact O-C 3.56Å; I341-M344 WeakPolarHBondContact O-CA 3.37Å; I341-M344 WeakPolarHBondContact O-CB 3.38Å; I341-M344 PolarHBondContact O-N 3.3Å; Q342-M344 VanDerWaalsContact C-N 3.28Å; Q342-M344 PolarHBondContact O-N 2.89Å; M344-Q346 VanDerWaalsContact C-N 3.34Å; M344-Q346 PolarHBondContact O-N 3.45Å; M344-K347 PolarHBondContact O-N 3.01Å; M344-Q348 HydrophobicContact CG-CG 4.13Å; M344-Q348 WeakPolarHBondContact O-CG 3.38Å; M344-Q348 PolarHBondContact O-N 3.48Å; M344-M352 HydrophobicContact CE-CE 3.27Å; M344-L355 HydrophobicContact CE-CD2 3.62Å; M344-L355 HydrophobicContact SD-CD2 4.37Å; M344-L458 HydrophobicContact CE-CB 4.25Å; M344-L459 HydrophobicContact CB-CD2 4.48Å; M344-L459 HydrophobicContact SD-CD2 3.92Å; M344-D462 HydrophobicContact CG-CB 3.98Å; M344-D462 HydrophobicContact SD-CB 3.3Å; M344-D462 WeakPolarHBondContact SD-CB 3.4Å
345E67.9Low68.8Low73 Ų7371.7 Ų71.734%0.34135%0.347SS..Hα-helixtrans-58.8-45175.4-175.8164.6-129.700111.1I341 Q342 K347 N349 P351 M352I341-E345 WeakPolarHBondContact O-CB 3.47Å; I341-E345 PolarHBondContact O-N 2.79Å; Q342-E345 PolarHBondContact O-N 3.12Å; E345-K347 VanDerWaalsContact C-N 3.33Å; E345-K347 PolarHBondContact O-N 3.12Å; E345-N349 PolarHBondContact O-N 2.93Å; E345-P351 WeakPolarHBondContact OE1-CA 3.33Å; E345-M352 WeakPolarHBondContact OE1-CB 3.43Å; E345-M352 PolarHBondContact OE1-N 3.45Å
346Q67.3Low69.5Low138 Ų13866.6 Ų66.665%0.64533%0.325SS*.Hα-helixtrans-61.7-34.1171.8-72.8173.2-11.600113.7Q342 M344Q342-Q346 WeakPolarHBondContact O-CB 3.46Å; Q342-Q346 VanDerWaalsContact O-CG 3.28Å; Q342-Q346 WeakPolarHBondContact O-CG 3.43Å; Q342-Q346 PolarHBondContact O-N 3.08Å; M344-Q346 VanDerWaalsContact C-N 3.34Å; M344-Q346 PolarHBondContact O-N 3.45Å
347K63.7Low70Confident136 Ų13667 Ų6759%0.59132%0.324SS*.Hα-helixtrans-82.3-37.5-177.4-81.1171.2-177.6169.60113.9V343 M344 E345V343-K347 HydrophobicContact CG1-CD 4Å; V343-K347 VanDerWaalsContact CG1-NZ 3.29Å; V343-K347 WeakPolarHBondContact O-CB 3.23Å; V343-K347 VanDerWaalsContact O-CD 3.31Å; V343-K347 WeakPolarHBondContact O-CD 3.45Å; V343-K347 WeakPolarHBondContact O-CG 3.25Å; V343-K347 PolarHBondContact O-N 3.43Å; M344-K347 PolarHBondContact O-N 3.01Å; E345-K347 VanDerWaalsContact C-N 3.33Å; E345-K347 PolarHBondContact O-N 3.12Å
348Q62.9Low70.5Confident48 Ų4871.5 Ų71.522%0.22435%0.348CS..Hα-helixtrans-85.8-16.1-179.5-58.4-65.9-9.400111.9M344 I350 D462M344-Q348 HydrophobicContact CG-CG 4.13Å; M344-Q348 WeakPolarHBondContact O-CG 3.38Å; M344-Q348 PolarHBondContact O-N 3.48Å; Q348-I350 PolarHBondContact O-N 2.81Å; Q348-D462 PolarHBondContact NE2-OD1 2.64Å
349N64.5Low71.2Confident148 Ų14868.3 Ų68.379%0.79134%0.335SS*.THydrogen-bonded Turntrans54.829.9-176.7-163.337.9000113.3E345E345-N349 PolarHBondContact O-N 2.93Å
350I66.9Low71.9Confident48 Ų4862.9 Ų62.925%0.24631%0.31CS..SBendtrans-128.5122.9179.1-67.3168.9000106.4Q348 Q354 L355Q348-I350 PolarHBondContact O-N 2.81Å; I350-Q354 HydrophobicContact CG2-CB 3.73Å; I350-L355 HydrophobicContact CG2-CB 4.41Å
351P73Confident72.3Confident61 Ų6162.3 Ų62.340%0.39632%0.315SS..  trans-54.5142.5176.3-27.735.1000112.6E345 Q353 Q354 L355E345-P351 WeakPolarHBondContact OE1-CA 3.33Å; P351-Q353 PolarHBondContact O-N 2.94Å; P351-Q354 WeakPolarHBondContact O-CA 3.28Å; P351-Q354 WeakPolarHBondContact O-CB 3.3Å; P351-Q354 PolarHBondContact O-N 3.41Å; P351-L355 PolarHBondContact O-N 2.88Å
352M71.5Confident73Confident27 Ų2763.2 Ų63.213%0.13332%0.322CS..Hα-helixtrans-49.5-36.2179172.950.945.300113I341 M344 E345 L355 K356 L458I341-M352 HydrophobicContact CB-CE 4.42Å; I341-M352 HydrophobicContact CD1-CE 4.27Å; I341-M352 HydrophobicContact CG1-CE 3.96Å; I341-M352 HydrophobicContact CG2-CE 3.91Å; M344-M352 HydrophobicContact CE-CE 3.27Å; E345-M352 WeakPolarHBondContact OE1-CB 3.43Å; E345-M352 PolarHBondContact OE1-N 3.45Å; M352-L355 HydrophobicContact CE-CD2 4.49Å; M352-L355 PolarHBondContact O-N 2.92Å; M352-K356 WeakPolarHBondContact O-CG 3.42Å; M352-K356 PolarHBondContact O-N 2.95Å; M352-K356 VanDerWaalsContact O-N 3.14Å; M352-K356 HydrophobicContact SD-CG 4.5Å; M352-L458 HydrophobicContact CE-CD1 4.29Å; M352-L458 HydrophobicContact SD-CD1 3.46Å; M352-L458 WeakPolarHBondContact SD-CD1 3.25Å
353Q77.4Confident73.7Confident45 Ų4559.1 Ų59.121%0.2130%0.302CS..Hα-helixtrans-67.2-43.9176.7-174.657.727.500112.6V100 P351 L355 K356 E357V100-Q353 PolarHBondContact O-NE2 2.89Å; P351-Q353 PolarHBondContact O-N 2.94Å; Q353-L355 VanDerWaalsContact C-N 3.34Å; Q353-L355 PolarHBondContact O-N 3.14Å; Q353-K356 WeakPolarHBondContact O-CB 3.49Å; Q353-K356 PolarHBondContact O-N 3.27Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.46Å; Q353-E357 PolarHBondContact NE2-OE1 2.69Å; Q353-E357 WeakPolarHBondContact O-CG 3.11Å; Q353-E357 PolarHBondContact O-N 3.16Å
354Q73.3Confident74.4Confident100 Ų10061 Ų6147%0.46731%0.311SS..Hα-helixtrans-66.9-35.4175.7-70-176.7-600111.6I350 P351 K356 E357 L358I350-Q354 HydrophobicContact CG2-CB 3.73Å; P351-Q354 WeakPolarHBondContact O-CA 3.28Å; P351-Q354 WeakPolarHBondContact O-CB 3.3Å; P351-Q354 PolarHBondContact O-N 3.41Å; Q354-K356 PolarHBondContact O-N 3.07Å; Q354-E357 PolarHBondContact O-N 3.16Å; Q354-L358 WeakPolarHBondContact O-CB 3.46Å; Q354-L358 VanDerWaalsContact O-CG 3.24Å; Q354-L358 WeakPolarHBondContact O-CG 3.32Å; Q354-L358 PolarHBondContact O-N 3.27Å
355L74.9Confident75.3Confident19 Ų1961.4 Ų61.410%0.09932%0.315CS..Hα-helixtrans-64.6-38.8175.6-174.564.7000112.1M344 I350 P351 M352 Q353 L359 L458M344-L355 HydrophobicContact CE-CD2 3.62Å; M344-L355 HydrophobicContact SD-CD2 4.37Å; I350-L355 HydrophobicContact CG2-CB 4.41Å; P351-L355 PolarHBondContact O-N 2.88Å; M352-L355 HydrophobicContact CE-CD2 4.49Å; M352-L355 PolarHBondContact O-N 2.92Å; Q353-L355 VanDerWaalsContact C-N 3.34Å; Q353-L355 PolarHBondContact O-N 3.14Å; L355-L359 HydrophobicContact CD1-CD1 3.83Å; L355-L359 HydrophobicContact CD1-CG 4.22Å; L355-L359 HydrophobicContact CG-CD1 4.01Å; L355-L359 WeakPolarHBondContact O-CB 3.42Å; L355-L359 WeakPolarHBondContact O-CG 3.24Å; L355-L359 PolarHBondContact O-N 3.05Å; L355-L458 HydrophobicContact CD2-CD2 4.37Å; L355-L458 HydrophobicContact CG-CD2 4.28Å
356K81.7Confident76.2Confident15 Ų1558 Ų587%0.06530%0.3CS..Hα-helixtrans-63.2-49.3170.7-68.1169-173.5174.90111.5M352 Q353 Q354 L358 L359 L360 L454 L458M352-K356 WeakPolarHBondContact O-CG 3.42Å; M352-K356 PolarHBondContact O-N 2.95Å; M352-K356 VanDerWaalsContact O-N 3.14Å; M352-K356 HydrophobicContact SD-CG 4.5Å; Q353-K356 WeakPolarHBondContact O-CB 3.49Å; Q353-K356 PolarHBondContact O-N 3.27Å; Q354-K356 PolarHBondContact O-N 3.07Å; K356-L358 VanDerWaalsContact C-N 3.27Å; K356-L358 PolarHBondContact O-N 3.16Å; K356-L359 PolarHBondContact O-N 3.42Å; K356-L360 VanDerWaalsContact O-CB 3.31Å; K356-L360 WeakPolarHBondContact O-CB 3.4Å; K356-L360 PolarHBondContact O-N 3.5Å; K356-L454 HydrophobicContact CD-CD2 4.05Å; K356-L454 HydrophobicContact CG-CD2 4.26Å; K356-L458 HydrophobicContact CG-CD1 3.91Å
357E80.3Confident77.1Confident87 Ų8754.4 Ų54.441%0.40728%0.282SS..Hα-helixtrans-59.6-38.1-179.3-74162.6-175.100111.5V100 Q353 Q354 S361V100-E357 HydrophobicContact CG1-CG 3.66Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.46Å; Q353-E357 PolarHBondContact NE2-OE1 2.69Å; Q353-E357 WeakPolarHBondContact O-CG 3.11Å; Q353-E357 PolarHBondContact O-N 3.16Å; Q354-E357 PolarHBondContact O-N 3.16Å; E357-S361 VanDerWaalsContact O-CA 3.26Å; E357-S361 WeakPolarHBondContact O-CA 3.2Å; E357-S361 WeakPolarHBondContact O-CB 3.34Å; E357-S361 PolarHBondContact O-N 2.85Å
358L77.3Confident78.1Confident102 Ų10250.2 Ų50.253%0.53427%0.266SS..Hα-helixtrans-70.2-50.8174.5-72.8167000112.7Q354 K356 S361Q354-L358 WeakPolarHBondContact O-CB 3.46Å; Q354-L358 VanDerWaalsContact O-CG 3.24Å; Q354-L358 WeakPolarHBondContact O-CG 3.32Å; Q354-L358 PolarHBondContact O-N 3.27Å; K356-L358 VanDerWaalsContact C-N 3.27Å; K356-L358 PolarHBondContact O-N 3.16Å; L358-S361 VanDerWaalsContact O-CB 3.29Å; L358-S361 WeakPolarHBondContact O-CB 3.33Å; L358-S361 PolarHBondContact O-N 3.19Å; L358-S361 PolarHBondContact O-OG 3.44Å
359L81.4Confident79.3Confident34 Ų3448 Ų4818%0.17826%0.255CS..Hα-helixtrans-76.3-23.5-175.2-69.4174.2000113.6L355 K356 G365 W457 L458 W461L355-L359 HydrophobicContact CD1-CD1 3.83Å; L355-L359 HydrophobicContact CD1-CG 4.22Å; L355-L359 HydrophobicContact CG-CD1 4.01Å; L355-L359 WeakPolarHBondContact O-CB 3.42Å; L355-L359 WeakPolarHBondContact O-CG 3.24Å; L355-L359 PolarHBondContact O-N 3.05Å; K356-L359 PolarHBondContact O-N 3.42Å; L359-G365 VanDerWaalsContact O-CA 3.28Å; L359-G365 WeakPolarHBondContact O-CA 3.37Å; L359-W457 HydrophobicContact CB-CH2 3.68Å; L359-W457 HydrophobicContact CB-CZ3 3.94Å; L359-L458 HydrophobicContact CD1-CD2 3.59Å; L359-W461 HydrophobicContact CD1-CB 4.14Å; L359-W461 HydrophobicContact CD1-CG 4.05Å; L359-W461 HydrophobicContact CD2-CD2 4.27Å
360L84.3Confident80.3Confident1 Ų143.1 Ų43.11%0.00523%0.229CC..THydrogen-bonded Turntrans-105.716.2172.7-62.4173.9000112.6L19 C96 L99 V100 K356 S362 M366 F369 L454 W457L19-L360 WeakPolarHBondContact CD1-O 3.25Å; C96-L360 PolarHBondContact SG-O 2.88Å; L99-L360 HydrophobicContact CB-CD1 3.95Å; V100-L360 HydrophobicContact CG2-CB 3.54Å; V100-L360 HydrophobicContact CG2-CD1 3.86Å; V100-L360 HydrophobicContact CG2-CG 4.36Å; K356-L360 VanDerWaalsContact O-CB 3.31Å; K356-L360 WeakPolarHBondContact O-CB 3.4Å; K356-L360 PolarHBondContact O-N 3.5Å; L360-S362 PolarHBondContact O-N 2.99Å; L360-S362 VanDerWaalsContact O-N 3.14Å; L360-M366 HydrophobicContact CD2-SD 4.35Å; L360-F369 HydrophobicContact CD2-CB 4.27Å; L360-L454 HydrophobicContact CD1-CD1 3.96Å; L360-W457 HydrophobicContact CD1-CZ3 4.44Å; L360-W457 HydrophobicContact CD2-CH2 3.54Å; L360-W457 HydrophobicContact CD2-CZ2 4.42Å; L360-W457 HydrophobicContact CD2-CZ3 3.84Å; L360-W457 HydrophobicContact CG-CH2 3.94Å; L360-W457 HydrophobicContact CG-CZ3 3.89Å
361S77.6Confident81.1Confident65 Ų6541.9 Ų41.946%0.45523%0.225SC..SBendtrans-62.3-14.9175.457.40000114.3L19 E357 L358L19-S361 VanDerWaalsContact CD1-C 3.5Å; L19-S361 WeakPolarHBondContact CD1-O 3.3Å; E357-S361 VanDerWaalsContact O-CA 3.26Å; E357-S361 WeakPolarHBondContact O-CA 3.2Å; E357-S361 WeakPolarHBondContact O-CB 3.34Å; E357-S361 PolarHBondContact O-N 2.85Å; L358-S361 VanDerWaalsContact O-CB 3.29Å; L358-S361 WeakPolarHBondContact O-CB 3.33Å; L358-S361 PolarHBondContact O-N 3.19Å; L358-S361 PolarHBondContact O-OG 3.44Å
362S82.6Confident81.8Confident33 Ų3341 Ų4123%0.23122%0.215CC..SBendtrans-145.7158-171.166.60000111.9L360 D364 G365 M366L360-S362 PolarHBondContact O-N 2.99Å; L360-S362 VanDerWaalsContact O-N 3.14Å; S362-D364 PolarHBondContact O-N 3.24Å; S362-G365 PolarHBondContact O-N 2.8Å; S362-G365 VanDerWaalsContact O-N 3.08Å; S362-G365 PolarHBondContact OG-N 3.07Å; S362-M366 PolarHBondContact O-N 3.48Å; S362-M366 VanDerWaalsContact O-N 3.13Å
363R84.2Confident82.6Confident19 Ų1939.7 Ų39.77%0.07221%0.209CC..Hα-helixtrans-60.6-32176.9-175.5169.9-175.8-90.9-15.4113.5N22 F23 F26 E92 G365 M366 K367N22-R363 WeakPolarHBondContact OD1-CB 3.31Å; N22-R363 PolarHBondContact OD1-N 3.4Å; F23-R363 HydrophobicContact CD1-CB 4.12Å; F23-R363 HydrophobicContact CD1-CG 3.96Å; F23-R363 HydrophobicContact CD2-CB 4.01Å; F23-R363 HydrophobicContact CE1-CB 3.83Å; F23-R363 HydrophobicContact CE1-CG 3.55Å; F23-R363 HydrophobicContact CE2-CB 3.75Å; F23-R363 HydrophobicContact CE2-CG 4.39Å; F23-R363 HydrophobicContact CG-CB 4.23Å; F23-R363 HydrophobicContact CZ-CB 3.67Å; F23-R363 HydrophobicContact CZ-CG 3.83Å; F26-R363 VanDerWaalsContact CD1-CZ 3.45Å; F26-R363 VanDerWaalsContact CE1-CZ 3.42Å; F26-R363 VanDerWaalsContact CE2-NH1 3.28Å; E92-R363 VanDerWaalsContact CD-NH2 3.26Å; E92-R363 IonicContact OE1-CZ 3.31Å; E92-R363 IonicContact OE1-NH2 3.17Å; E92-R363 PolarHBondContact OE1-NH2 2.73Å; E92-R363 IonicContact OE2-CZ 3.64Å; E92-R363 IonicContact OE2-NE 2.68Å; E92-R363 PolarHBondContact OE2-NE 3.41Å; E92-R363 IonicContact OE2-NH2 2.74Å; E92-R363 PolarHBondContact OE2-NH2 3.17Å; R363-G365 VanDerWaalsContact C-N 3.33Å; R363-M366 PolarHBondContact O-N 3.09Å; R363-K367 WeakPolarHBondContact O-CG 3.41Å; R363-K367 PolarHBondContact O-N 2.62Å
364D83.7Confident82.8Confident80 Ų8042 Ų4243%0.42822%0.221SC..Hα-helixtrans-70-31.5176.5-76.9-15.2000111.9S362 K367 D368S362-D364 PolarHBondContact O-N 3.24Å; D364-K367 PolarHBondContact O-N 3.02Å; D364-K367 IonicContact OD1-NZ 3.21Å; D364-K367 PolarHBondContact OD1-NZ 2.73Å; D364-D368 PolarHBondContact O-N 3.29Å
365G84.5Confident83.2Confident10 Ų1041.5 Ų41.510%0.10323%0.227CC..Hα-helixtrans-65.8-41.9168.500000113.1L359 S362 R363 K367 D368 F369 W457L359-G365 VanDerWaalsContact O-CA 3.28Å; L359-G365 WeakPolarHBondContact O-CA 3.37Å; S362-G365 PolarHBondContact O-N 2.8Å; S362-G365 VanDerWaalsContact O-N 3.08Å; S362-G365 PolarHBondContact OG-N 3.07Å; R363-G365 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 3.41Å; G365-D368 PolarHBondContact O-N 3.02Å; G365-F369 PolarHBondContact O-N 2.98Å; G365-W457 WeakPolarHBondContact O-CZ2 3.29Å
366M87.4Confident83.6Confident2 Ų242.2 Ų42.21%0.0123%0.232CC..Hα-helixtrans-64.2-37.9173.8-174.159.5-162.600112.3F23 L95 C96 L99 L360 S362 R363 F369 M370F23-M366 HydrophobicContact CZ-CB 4.01Å; F23-M366 HydrophobicContact CZ-CG 4.32Å; L95-M366 HydrophobicContact CB-CE 4.02Å; L95-M366 HydrophobicContact CD2-CE 3.51Å; L95-M366 HydrophobicContact CG-CE 3.62Å; C96-M366 HydrophobicContact CB-CB 4.46Å; C96-M366 HydrophobicContact CB-CG 4.14Å; C96-M366 HydrophobicContact CB-SD 4Å; L99-M366 HydrophobicContact CD1-CE 4.07Å; L99-M366 HydrophobicContact CD1-SD 4.07Å; L360-M366 HydrophobicContact CD2-SD 4.35Å; S362-M366 PolarHBondContact O-N 3.48Å; S362-M366 VanDerWaalsContact O-N 3.13Å; R363-M366 PolarHBondContact O-N 3.09Å; M366-F369 HydrophobicContact CE-CD1 4.17Å; M366-F369 PolarHBondContact O-N 3.49Å; M366-F369 HydrophobicContact SD-CD1 4.21Å; M366-M370 HydrophobicContact CE-CG 3.98Å; M366-M370 HydrophobicContact CE-SD 4.03Å; M366-M370 VanDerWaalsContact O-CG 3.27Å; M366-M370 WeakPolarHBondContact O-CG 3.17Å; M366-M370 PolarHBondContact O-N 3.07Å
367K85.5Confident83.5Confident63 Ų6346.8 Ų46.827%0.27426%0.257SS..Hα-helixtrans-63.1-41171.7-74.9177.9-166.61540112.5R363 D364 G365 M370 A371R363-K367 WeakPolarHBondContact O-CG 3.41Å; R363-K367 PolarHBondContact O-N 2.62Å; D364-K367 PolarHBondContact O-N 3.02Å; D364-K367 IonicContact OD1-NZ 3.21Å; D364-K367 PolarHBondContact OD1-NZ 2.73Å; G365-K367 PolarHBondContact O-N 3.41Å; K367-M370 PolarHBondContact O-N 2.87Å; K367-A371 VanDerWaalsContact O-CB 3.24Å; K367-A371 WeakPolarHBondContact O-CB 3.26Å; K367-A371 PolarHBondContact O-N 3.14Å
368D85.4Confident83.6Confident48 Ų4842.6 Ų42.626%0.25724%0.238SC..Hα-helixtrans-63.8-42.8178.3-176.296.3000111D364 G365 M370 A371 F372 W457 W461D364-D368 PolarHBondContact O-N 3.29Å; G365-D368 PolarHBondContact O-N 3.02Å; D368-M370 PolarHBondContact O-N 2.64Å; D368-A371 PolarHBondContact O-N 3.48Å; D368-F372 WeakPolarHBondContact O-CB 3.27Å; D368-F372 PolarHBondContact O-N 3.02Å; D368-W457 HydrophobicContact CB-CZ2 4.38Å; D368-W457 PolarHBondContact OD2-NE1 2.69Å; D368-W461 HydrophobicContact CB-CZ2 4.5Å; D368-W461 PolarHBondContact OD2-NE1 3.34Å
369F87.6Confident83.8Confident0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-56.8-50.1169.9179.1-113.2000111.8L99 L360 G365 M366 A371 F372 L373 L449 W453 L454 W457L99-F369 HydrophobicContact CD1-CD1 3.75Å; L99-F369 HydrophobicContact CD1-CE1 3.4Å; L99-F369 VanDerWaalsContact CD1-CE1 3.4Å; L99-F369 HydrophobicContact CD1-CZ 4.19Å; L99-F369 HydrophobicContact CD2-CE1 4.43Å; L360-F369 HydrophobicContact CD2-CB 4.27Å; G365-F369 PolarHBondContact O-N 2.98Å; M366-F369 HydrophobicContact CE-CD1 4.17Å; M366-F369 PolarHBondContact O-N 3.49Å; M366-F369 HydrophobicContact SD-CD1 4.21Å; F369-A371 VanDerWaalsContact C-N 3.34Å; F369-A371 PolarHBondContact O-N 3.34Å; F369-F372 WeakPolarHBondContact O-CB 3.41Å; F369-F372 PolarHBondContact O-N 2.91Å; F369-L373 HydrophobicContact CD1-CD1 4.3Å; F369-L373 HydrophobicContact CE1-CD1 3.67Å; F369-L373 HydrophobicContact CE1-CG 4.41Å; F369-L373 HydrophobicContact CE2-CD1 4.3Å; F369-L373 HydrophobicContact CE2-CD2 4.2Å; F369-L373 HydrophobicContact CE2-CG 4.33Å; F369-L373 HydrophobicContact CZ-CD1 3.69Å; F369-L373 HydrophobicContact CZ-CD2 4.28Å; F369-L373 HydrophobicContact CZ-CG 4.2Å; F369-L373 WeakPolarHBondContact O-CG 3.44Å; F369-L373 PolarHBondContact O-N 3.3Å; F369-L373 VanDerWaalsContact O-N 3.11Å; F369-L449 HydrophobicContact CZ-CD2 4.33Å; F369-W453 HydrophobicContact CZ-CB 4.46Å; F369-L454 HydrophobicContact CD2-CD1 4.47Å; F369-L454 HydrophobicContact CE2-CB 4.26Å; F369-L454 HydrophobicContact CE2-CD1 4.3Å; F369-W457 HydrophobicContact CB-CD2 4.12Å; F369-W457 HydrophobicContact CB-CH2 4.29Å; F369-W457 HydrophobicContact CB-CZ2 3.86Å; F369-W457 HydrophobicContact CD2-CB 3.82Å; F369-W457 AromaticContact CD2-CD2 3.68Å; F369-W457 HydrophobicContact CD2-CD2 3.68Å; F369-W457 HydrophobicContact CD2-CE3 4.01Å; F369-W457 AromaticContact CD2-CG 3.63Å; F369-W457 HydrophobicContact CD2-CG 3.63Å; F369-W457 HydrophobicContact CE2-CB 4.08Å; F369-W457 HydrophobicContact CE2-CG 4.39Å; F369-W457 HydrophobicContact CG-CD2 4.36Å
370M85.5Confident83.7Confident47 Ų4741.2 Ų41.223%0.23223%0.228CC..Hα-helixtrans-58.7-43.7176.7-71-67.3-75.800112.3M366 K367 D368 F372 L373 I374 I379 V382M366-M370 HydrophobicContact CE-CG 3.98Å; M366-M370 HydrophobicContact CE-SD 4.03Å; M366-M370 VanDerWaalsContact O-CG 3.27Å; M366-M370 WeakPolarHBondContact O-CG 3.17Å; M366-M370 PolarHBondContact O-N 3.07Å; K367-M370 PolarHBondContact O-N 2.87Å; D368-M370 PolarHBondContact O-N 2.64Å; M370-F372 PolarHBondContact O-N 2.75Å; M370-L373 WeakPolarHBondContact O-CA 3.4Å; M370-L373 WeakPolarHBondContact O-CB 3.44Å; M370-L373 PolarHBondContact O-N 3.42Å; M370-I374 WeakPolarHBondContact O-CG1 3.43Å; M370-I374 PolarHBondContact O-N 2.95Å; M370-I379 HydrophobicContact CE-CD1 4.11Å; M370-V382 HydrophobicContact CE-CB 4.32Å; M370-V382 HydrophobicContact CE-CG1 3.64Å; M370-V382 HydrophobicContact SD-CB 4.23Å; M370-V382 HydrophobicContact SD-CG1 3.71Å; M370-V382 HydrophobicContact SD-CG2 4.02Å
371A84.6Confident83.6Confident21 Ų2142.5 Ų42.517%0.17424%0.235CC..Hα-helixtrans-65.1-38.9-179.600000112K367 D368 F369 L373 I374 P375 Y618K367-A371 VanDerWaalsContact O-CB 3.24Å; K367-A371 WeakPolarHBondContact O-CB 3.26Å; K367-A371 PolarHBondContact O-N 3.14Å; D368-A371 PolarHBondContact O-N 3.48Å; F369-A371 VanDerWaalsContact C-N 3.34Å; F369-A371 PolarHBondContact O-N 3.34Å; A371-L373 VanDerWaalsContact C-N 3.26Å; A371-L373 PolarHBondContact O-N 3.24Å; A371-I374 PolarHBondContact O-N 3.27Å; A371-P375 WeakPolarHBondContact O-CD 3.46Å; A371-Y618 HydrophobicContact CB-CD1 4.08Å; A371-Y618 HydrophobicContact CB-CE1 4.49Å; A371-Y618 VanDerWaalsContact O-CE1 3.3Å; A371-Y618 WeakPolarHBondContact O-CE1 3.49Å
372F87.1Confident83.8Confident42 Ų4239.8 Ų39.818%0.18422%0.215CC..Hα-helixtrans-61.8-31.2169.6168.3-95000112.8D368 F369 M370 W453 R456 W457 H460D368-F372 WeakPolarHBondContact O-CB 3.27Å; D368-F372 PolarHBondContact O-N 3.02Å; F369-F372 WeakPolarHBondContact O-CB 3.41Å; F369-F372 PolarHBondContact O-N 2.91Å; M370-F372 PolarHBondContact O-N 2.75Å; F372-W453 HydrophobicContact CE1-CE3 4.48Å; F372-R456 HydrophobicContact CE1-CB 4.35Å; F372-R456 HydrophobicContact CZ-CB 3.95Å; F372-W457 HydrophobicContact CD1-CB 3.67Å; F372-W457 AromaticContact CD1-CD1 3.77Å; F372-W457 HydrophobicContact CD1-CG 4.08Å; F372-W457 HydrophobicContact CE1-CB 3.67Å; F372-W457 HydrophobicContact CG-CB 4.26Å; F372-W457 AromaticContact CG-CD1 3.57Å; F372-W457 HydrophobicContact CG-CG 4.3Å; F372-W457 HydrophobicContact CZ-CB 4.25Å; F372-H460 HydrophobicContact CD2-CB 4.16Å; F372-H460 AromaticContact CD2-CD2 3.68Å; F372-H460 AromaticContact CD2-CG 3.92Å; F372-H460 HydrophobicContact CE2-CB 3.73Å; F372-H460 AromaticContact CE2-CG 3.85Å; F372-H460 HydrophobicContact CZ-CB 4.5Å
373L88Confident83.5Confident0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-79.4-30.2176.7-62-172.8000114.4F369 M370 A371 T376 I379 V382 L449 W453F369-L373 HydrophobicContact CD1-CD1 4.3Å; F369-L373 HydrophobicContact CE1-CD1 3.67Å; F369-L373 HydrophobicContact CE1-CG 4.41Å; F369-L373 HydrophobicContact CE2-CD1 4.3Å; F369-L373 HydrophobicContact CE2-CD2 4.2Å; F369-L373 HydrophobicContact CE2-CG 4.33Å; F369-L373 HydrophobicContact CZ-CD1 3.69Å; F369-L373 HydrophobicContact CZ-CD2 4.28Å; F369-L373 HydrophobicContact CZ-CG 4.2Å; F369-L373 WeakPolarHBondContact O-CG 3.44Å; F369-L373 PolarHBondContact O-N 3.3Å; F369-L373 VanDerWaalsContact O-N 3.11Å; M370-L373 WeakPolarHBondContact O-CA 3.4Å; M370-L373 WeakPolarHBondContact O-CB 3.44Å; M370-L373 PolarHBondContact O-N 3.42Å; A371-L373 VanDerWaalsContact C-N 3.26Å; A371-L373 PolarHBondContact O-N 3.24Å; L373-T376 WeakPolarHBondContact O-CA 3.42Å; L373-T376 WeakPolarHBondContact O-CB 3.3Å; L373-T376 PolarHBondContact O-N 2.87Å; L373-T376 VanDerWaalsContact O-O 3.08Å; L373-T376 PolarHBondContact O-OG1 2.84Å; L373-I379 HydrophobicContact CB-CB 4.4Å; L373-I379 HydrophobicContact CB-CD1 4.29Å; L373-V382 HydrophobicContact CD1-CG2 3.68Å; L373-L449 HydrophobicContact CD1-CD2 3.75Å; L373-W453 HydrophobicContact CD2-CB 3.81Å; L373-W453 HydrophobicContact CD2-CD2 4.04Å; L373-W453 HydrophobicContact CD2-CE3 3.88Å; L373-W453 HydrophobicContact CD2-CG 4.04Å
374I81.6Confident83Confident93 Ų9343.8 Ų43.848%0.47723%0.233SC..THydrogen-bonded Turntrans-45.2-48.7-177.4-71.9172.3000114M370 A371 T376 I379 Y618M370-I374 WeakPolarHBondContact O-CG1 3.43Å; M370-I374 PolarHBondContact O-N 2.95Å; A371-I374 PolarHBondContact O-N 3.27Å; I374-T376 PolarHBondContact O-N 2.97Å; I374-T376 VanDerWaalsContact O-N 3.16Å; I374-I379 HydrophobicContact CG1-CD1 4.11Å; I374-Y618 HydrophobicContact CB-CE1 4.36Å; I374-Y618 WeakPolarHBondContact CG2-OH 3.11Å
375P82Confident82.7Confident90 Ų9041.5 Ų41.558%0.58422%0.219SC*.THydrogen-bonded Turntrans-8018.1179.533.4-36.9000114A371A371-P375 WeakPolarHBondContact O-CD 3.46Å
376T84Confident82.1Confident34 Ų3442.2 Ų42.221%0.20922%0.22CC..SBendtrans-139158.4-170.581.30000112.6L373 I374 G378 I379 W453L373-T376 WeakPolarHBondContact O-CA 3.42Å; L373-T376 WeakPolarHBondContact O-CB 3.3Å; L373-T376 PolarHBondContact O-N 2.87Å; L373-T376 VanDerWaalsContact O-O 3.08Å; L373-T376 PolarHBondContact O-OG1 2.84Å; I374-T376 PolarHBondContact O-N 2.97Å; I374-T376 VanDerWaalsContact O-N 3.16Å; T376-G378 PolarHBondContact O-N 3.21Å; T376-G378 PolarHBondContact OG1-N 3.03Å; T376-I379 WeakPolarHBondContact O-CG2 3.37Å; T376-I379 PolarHBondContact O-N 3.1Å; T376-I379 VanDerWaalsContact O-N 3.12Å; T376-W453 HydrophobicContact CG2-CH2 4.43Å; T376-W453 HydrophobicContact CG2-CZ3 3.96Å; T376-W453 WeakPolarHBondContact OG1-CZ3 3.48Å
377N79Confident80.9Confident111 Ų11144.7 Ų44.759%0.59423%0.233SC*.THydrogen-bonded Turntrans-60.4-9.5171-64.6-6.6000113.8I379 W453N377-I379 VanDerWaalsContact C-N 3.32Å; N377-W453 HydrophobicContact CB-CZ2 4.33Å
378G81.8Confident79.5Confident0 Ų043.1 Ų43.10%023%0.226CC..THydrogen-bonded Turntrans-67.2-29.1173.400000113.5T376 H380 L381 V382 W453T376-G378 PolarHBondContact O-N 3.21Å; T376-G378 PolarHBondContact OG1-N 3.03Å; G378-H380 VanDerWaalsContact C-N 3.27Å; G378-H380 PolarHBondContact O-N 2.76Å; G378-L381 WeakPolarHBondContact O-CB 3.21Å; G378-L381 PolarHBondContact O-N 3.18Å; G378-L381 VanDerWaalsContact O-N 3.15Å; G378-V382 PolarHBondContact O-N 2.99Å; G378-W453 VanDerWaalsContact N-CZ2 3.3Å
379I83Confident77.8Confident22 Ų2243.6 Ų43.611%0.11323%0.229CC..Hα-helixtrans-61.3-39.3178.1-162.563.6000110.9M370 L373 I374 T376 N377 L381 V382 D383M370-I379 HydrophobicContact CE-CD1 4.11Å; L373-I379 HydrophobicContact CB-CB 4.4Å; L373-I379 HydrophobicContact CB-CD1 4.29Å; I374-I379 HydrophobicContact CG1-CD1 4.11Å; T376-I379 WeakPolarHBondContact O-CG2 3.37Å; T376-I379 PolarHBondContact O-N 3.1Å; T376-I379 VanDerWaalsContact O-N 3.12Å; N377-I379 VanDerWaalsContact C-N 3.32Å; I379-L381 PolarHBondContact O-N 2.68Å; I379-V382 CarbonylContact O-C 3.6Å; I379-V382 WeakPolarHBondContact O-CA 3.33Å; I379-V382 WeakPolarHBondContact O-CB 3.44Å; I379-V382 PolarHBondContact O-N 3.41Å; I379-D383 VanDerWaalsContact O-CG 3.29Å; I379-D383 PolarHBondContact O-N 3.09Å
380H78.6Confident75.9Confident84 Ų8448 Ų4839%0.38925%0.245SC..Hα-helixtrans-66.6-21.8179.4-61.7-30.2000114.3G378 D383 F384G378-H380 VanDerWaalsContact C-N 3.27Å; G378-H380 PolarHBondContact O-N 2.76Å; H380-D383 WeakPolarHBondContact CA-OD2 3.35Å; H380-D383 IonicContact CE1-OD2 2.66Å; H380-D383 IonicContact CG-OD2 2.76Å; H380-D383 IonicContact ND1-OD2 3.53Å; H380-D383 PolarHBondContact ND1-OD2 3.26Å; H380-F384 VanDerWaalsContact O-CB 3.26Å; H380-F384 WeakPolarHBondContact O-CB 3.25Å; H380-F384 PolarHBondContact O-N 3.26Å
381L83Confident73.9Confident28 Ų2849.8 Ų49.815%0.14725%0.25CS..Hα-helixtrans-75.4-31.9170.9-61175.2000111.5G378 I379 W385 C445 R448 L449G378-L381 WeakPolarHBondContact O-CB 3.21Å; G378-L381 PolarHBondContact O-N 3.18Å; G378-L381 VanDerWaalsContact O-N 3.15Å; I379-L381 PolarHBondContact O-N 2.68Å; L381-W385 VanDerWaalsContact O-CB 3.27Å; L381-W385 WeakPolarHBondContact O-CB 3.38Å; L381-W385 PolarHBondContact O-N 3.26Å; L381-W385 VanDerWaalsContact O-N 3.1Å; L381-C445 HydrophobicContact CB-CB 4.42Å; L381-C445 HydrophobicContact CD2-CB 4.33Å; L381-R448 HydrophobicContact CD1-CB 3.65Å; L381-L449 HydrophobicContact CB-CD1 4.12Å; L381-L449 HydrophobicContact CB-CD2 4.03Å; L381-L449 HydrophobicContact CB-CG 3.9Å; L381-L449 HydrophobicContact CD1-CD2 4.41Å; L381-L449 HydrophobicContact CD1-CG 4.31Å
382V81.6Confident71.8Confident8 Ų852.6 Ų52.65%0.04826%0.262CS..Hα-helixtrans-76.3-44.9172-1760000110.9L95 M370 L373 G378 I379 F384 W385 D386 L449L95-V382 HydrophobicContact CD2-CB 4.39Å; L95-V382 HydrophobicContact CD2-CG1 3.47Å; L95-V382 VanDerWaalsContact CD2-CG1 3.47Å; L95-V382 HydrophobicContact CD2-CG2 4.13Å; M370-V382 HydrophobicContact CE-CB 4.32Å; M370-V382 HydrophobicContact CE-CG1 3.64Å; M370-V382 HydrophobicContact SD-CB 4.23Å; M370-V382 HydrophobicContact SD-CG1 3.71Å; M370-V382 HydrophobicContact SD-CG2 4.02Å; L373-V382 HydrophobicContact CD1-CG2 3.68Å; G378-V382 PolarHBondContact O-N 2.99Å; I379-V382 CarbonylContact O-C 3.6Å; I379-V382 WeakPolarHBondContact O-CA 3.33Å; I379-V382 WeakPolarHBondContact O-CB 3.44Å; I379-V382 PolarHBondContact O-N 3.41Å; V382-F384 PolarHBondContact O-N 3.32Å; V382-W385 PolarHBondContact O-N 3.35Å; V382-W385 VanDerWaalsContact O-N 3.1Å; V382-D386 WeakPolarHBondContact O-CB 3.03Å; V382-D386 PolarHBondContact O-N 3.41Å; V382-L449 HydrophobicContact CG2-CD1 3.83Å; V382-L449 HydrophobicContact CG2-CD2 3.82Å
383D75Confident69.5Low78 Ų7858 Ų5842%0.41729%0.292SS..Hα-helixtrans-51.8-45.7173.3-62.6-34.3000110.2I379 H380 L387I379-D383 VanDerWaalsContact O-CG 3.29Å; I379-D383 PolarHBondContact O-N 3.09Å; H380-D383 WeakPolarHBondContact CA-OD2 3.35Å; H380-D383 IonicContact CE1-OD2 2.66Å; H380-D383 IonicContact CG-OD2 2.76Å; H380-D383 IonicContact ND1-OD2 3.53Å; H380-D383 PolarHBondContact ND1-OD2 3.26Å; D383-L387 WeakPolarHBondContact O-CG 3.45Å; D383-L387 PolarHBondContact O-N 2.79Å
384F73.1Confident67.2Low58 Ų5863.4 Ų63.425%0.25431%0.313SS..Hα-helixtrans-65.8-45.8177.1-172.7-83.4000112.4H380 V382 D386 L387 F438 I441 Q442 C445H380-F384 VanDerWaalsContact O-CB 3.26Å; H380-F384 WeakPolarHBondContact O-CB 3.25Å; H380-F384 PolarHBondContact O-N 3.26Å; V382-F384 PolarHBondContact O-N 3.32Å; F384-D386 VanDerWaalsContact C-N 3.26Å; F384-D386 PolarHBondContact O-N 3.07Å; F384-L387 HydrophobicContact CB-CD1 4.45Å; F384-L387 HydrophobicContact CD2-CD1 3.58Å; F384-L387 HydrophobicContact CE2-CD1 3.89Å; F384-L387 HydrophobicContact CG-CD1 4.08Å; F384-L387 VanDerWaalsContact O-CB 3.31Å; F384-L387 WeakPolarHBondContact O-CB 3.16Å; F384-L387 WeakPolarHBondContact O-CG 3.24Å; F384-L387 PolarHBondContact O-N 2.93Å; F384-L387 VanDerWaalsContact O-N 3.15Å; F384-F438 HydrophobicContact CE1-CE2 4.25Å; F384-F438 HydrophobicContact CZ-CD2 4.32Å; F384-F438 HydrophobicContact CZ-CE2 4.04Å; F384-I441 HydrophobicContact CD1-CG2 4.2Å; F384-I441 HydrophobicContact CE1-CB 4.03Å; F384-I441 HydrophobicContact CE1-CG2 3.43Å; F384-I441 VanDerWaalsContact CE1-CG2 3.43Å; F384-I441 HydrophobicContact CE2-CG2 4.3Å; F384-I441 HydrophobicContact CZ-CB 4.12Å; F384-I441 HydrophobicContact CZ-CG2 3.49Å; F384-I441 VanDerWaalsContact CZ-CG2 3.49Å; F384-Q442 HydrophobicContact CE1-CG 4.23Å; F384-C445 HydrophobicContact CD1-CB 4.49Å; F384-C445 VanDerWaalsContact CD1-SG 3.56Å
385W78.2Confident65.4Low33 Ų3360.7 Ų60.713%0.12530%0.299CS..Hα-helixtrans-62.1-34.9-179.8-173.493.1000112L94 L95 L381 V382 L387 Q442L94-W385 HydrophobicContact CB-CH2 3.92Å; L95-W385 HydrophobicContact CB-CE3 4.15Å; L95-W385 HydrophobicContact CB-CH2 3.73Å; L95-W385 HydrophobicContact CB-CZ2 4.38Å; L95-W385 HydrophobicContact CB-CZ3 3.6Å; L95-W385 HydrophobicContact CD1-CD2 3.99Å; L95-W385 HydrophobicContact CD1-CE3 4.11Å; L95-W385 HydrophobicContact CD1-CH2 4.36Å; L95-W385 HydrophobicContact CD1-CZ2 4.22Å; L95-W385 HydrophobicContact CD1-CZ3 4.31Å; L95-W385 HydrophobicContact CD2-CE3 4.21Å; L95-W385 HydrophobicContact CD2-CZ3 4.44Å; L95-W385 HydrophobicContact CG-CE3 4.39Å; L95-W385 HydrophobicContact CG-CZ3 4.32Å; L381-W385 VanDerWaalsContact O-CB 3.27Å; L381-W385 WeakPolarHBondContact O-CB 3.38Å; L381-W385 PolarHBondContact O-N 3.26Å; L381-W385 VanDerWaalsContact O-N 3.1Å; V382-W385 PolarHBondContact O-N 3.35Å; V382-W385 VanDerWaalsContact O-N 3.1Å; W385-L387 VanDerWaalsContact C-N 3.35Å; W385-Q442 PolarHBondContact O-NE2 2.99Å
386D72.5Confident63.6Low25 Ų2559.3 Ų59.313%0.13429%0.289CS..THydrogen-bonded Turntrans-79.4-4.3176.7-169.656.5000114.5R91 V382 F384 E388 R390R91-D386 IonicContact CZ-OD1 3.42Å; R91-D386 VanDerWaalsContact CZ-OD1 3.26Å; R91-D386 IonicContact NE-OD1 3.38Å; R91-D386 PolarHBondContact NE-OD1 3.11Å; R91-D386 IonicContact NH2-OD1 3.41Å; R91-D386 PolarHBondContact NH2-OD1 3.29Å; R91-D386 IonicContact NH2-OD2 3.23Å; R91-D386 PolarHBondContact NH2-OD2 3.09Å; R91-D386 VanDerWaalsContact NH2-OD2 3.16Å; V382-D386 WeakPolarHBondContact O-CB 3.03Å; V382-D386 PolarHBondContact O-N 3.41Å; F384-D386 VanDerWaalsContact C-N 3.26Å; F384-D386 PolarHBondContact O-N 3.07Å; D386-E388 VanDerWaalsContact C-N 3.26Å; D386-E388 PolarHBondContact O-N 2.88Å; D386-R390 IonicContact OD2-CZ 3.54Å; D386-R390 IonicContact OD2-NE 2.73Å; D386-R390 PolarHBondContact OD2-NE 3.43Å; D386-R390 IonicContact OD2-NH2 2.79Å; D386-R390 PolarHBondContact OD2-NH2 3.05Å
387L61.9Low61.7Low54 Ų5462.2 Ų62.228%0.28331%0.311SS..Hα-helixtrans-62.9-29.1-177.5-72.6175.6000114D383 F384 W385 D389 R390 Y391D383-L387 WeakPolarHBondContact O-CG 3.45Å; D383-L387 PolarHBondContact O-N 2.79Å; F384-L387 HydrophobicContact CB-CD1 4.45Å; F384-L387 HydrophobicContact CD2-CD1 3.58Å; F384-L387 HydrophobicContact CE2-CD1 3.89Å; F384-L387 HydrophobicContact CG-CD1 4.08Å; F384-L387 VanDerWaalsContact O-CB 3.31Å; F384-L387 WeakPolarHBondContact O-CB 3.16Å; F384-L387 WeakPolarHBondContact O-CG 3.24Å; F384-L387 PolarHBondContact O-N 2.93Å; F384-L387 VanDerWaalsContact O-N 3.15Å; W385-L387 VanDerWaalsContact C-N 3.35Å; L387-D389 PolarHBondContact O-N 3.02Å; L387-R390 PolarHBondContact O-N 2.77Å; L387-Y391 HydrophobicContact CD2-CD2 3.39Å; L387-Y391 HydrophobicContact CD2-CE2 3.75Å; L387-Y391 HydrophobicContact CD2-CG 4.29Å; L387-Y391 PolarHBondContact O-N 2.92Å
388E55.7Low60.2Low29 Ų2964.4 Ų64.414%0.13632%0.315CS..Hα-helixtrans-51.4-56.7-168.7-168.9-177.714600111.7R208 D386 L392 F438 Q442R208-E388 IonicContact NH1-OE1 3.91Å; R208-E388 PolarHBondContact NH1-OE1 2.83Å; R208-E388 VanDerWaalsContact NH1-OE1 3.09Å; D386-E388 VanDerWaalsContact C-N 3.26Å; D386-E388 PolarHBondContact O-N 2.88Å; E388-L392 HydrophobicContact CG-CD1 4.07Å; E388-L392 WeakPolarHBondContact O-CB 3.27Å; E388-L392 PolarHBondContact O-N 2.75Å; E388-F438 HydrophobicContact CB-CE1 4.02Å; E388-F438 HydrophobicContact CB-CZ 4.22Å; E388-F438 HydrophobicContact CG-CE1 4Å; E388-Q442 PolarHBondContact OE2-NE2 3.37Å
389D50.1Low58.7Low58 Ų5868.1 Ų68.131%0.3134%0.337SS..Hα-helixtrans-82.8-29-175.3-69.2-43.8000113.5R91 R208 L387R91-D389 WeakPolarHBondContact CD-OD2 3.38Å; R208-D389 IonicContact CZ-OD1 3.13Å; R208-D389 VanDerWaalsContact CZ-OD1 3.31Å; R208-D389 IonicContact CZ-OD2 2.6Å; R208-D389 VanDerWaalsContact CZ-OD2 3.31Å; R208-D389 IonicContact NH1-OD1 2.88Å; R208-D389 PolarHBondContact NH1-OD1 3.06Å; R208-D389 IonicContact NH1-OD2 2.79Å; R208-D389 PolarHBondContact NH1-OD2 3.27Å; R208-D389 VanDerWaalsContact NH2-CG 3.33Å; R208-D389 IonicContact NH2-OD1 2.69Å; R208-D389 PolarHBondContact NH2-OD1 3.29Å; R208-D389 VanDerWaalsContact NH2-OD1 3.17Å; R208-D389 IonicContact NH2-OD2 3.91Å; R208-D389 PolarHBondContact NH2-OD2 3.34Å; L387-D389 PolarHBondContact O-N 3.02Å
390R47.2Very low57.1Low92 Ų9272.1 Ų72.135%0.34735%0.351SS..Hα-helixtrans-76.6-32.5179.9-65.8-163.1-148.4-105.4-0.4113.6D88 R91 D386 L387D88-R390 VanDerWaalsContact CG-NH2 3.34Å; D88-R390 IonicContact OD1-CZ 2.68Å; D88-R390 IonicContact OD1-NH1 2.65Å; D88-R390 PolarHBondContact OD1-NH1 2.82Å; D88-R390 VanDerWaalsContact OD1-NH1 3.12Å; D88-R390 IonicContact OD1-NH2 3.33Å; D88-R390 PolarHBondContact OD1-NH2 2.83Å; D88-R390 IonicContact OD2-CZ 3.83Å; D88-R390 VanDerWaalsContact OD2-CZ 3.22Å; D88-R390 IonicContact OD2-NH1 3.37Å; D88-R390 PolarHBondContact OD2-NH1 3.46Å; D88-R390 IonicContact OD2-NH2 3.04Å; D88-R390 PolarHBondContact OD2-NH2 3.32Å; R91-R390 VanDerWaalsContact NH2-NH2 3.12Å; D386-R390 IonicContact OD2-CZ 3.54Å; D386-R390 IonicContact OD2-NE 2.73Å; D386-R390 PolarHBondContact OD2-NE 3.43Å; D386-R390 IonicContact OD2-NH2 2.79Å; D386-R390 PolarHBondContact OD2-NH2 3.05Å; L387-R390 PolarHBondContact O-N 2.77Å
391Y43Very low55.8Low85 Ų8573.7 Ų73.733%0.33336%0.358SS..Hα-helixtrans-116.3-24.9-165.5-74.7-75.8000115.9L387 L393 R394 L395L387-Y391 HydrophobicContact CD2-CD2 3.39Å; L387-Y391 HydrophobicContact CD2-CE2 3.75Å; L387-Y391 HydrophobicContact CD2-CG 4.29Å; L387-Y391 PolarHBondContact O-N 2.92Å; Y391-L393 PolarHBondContact O-N 2.75Å; Y391-L393 VanDerWaalsContact O-N 3.16Å; Y391-R394 CarbonylContact O-C 3.59Å; Y391-R394 PolarHBondContact O-N 3.17Å; Y391-L395 WeakPolarHBondContact O-CB 3.47Å; Y391-L395 VanDerWaalsContact O-CG 3.23Å; Y391-L395 WeakPolarHBondContact O-CG 3.14Å; Y391-L395 PolarHBondContact O-N 3.39Å
392L41Very low54.6Low81 Ų8179.7 Ų79.742%0.42438%0.383SS..THydrogen-bonded Turntrans-59.8-31.8179.2-82166.1000113.4E388 L395E388-L392 HydrophobicContact CG-CD1 4.07Å; E388-L392 WeakPolarHBondContact O-CB 3.27Å; E388-L392 PolarHBondContact O-N 2.75Å; L392-L395 HydrophobicContact CD2-CD1 4.46Å
393L39.5Very low53.4Low154 Ų15483.2 Ų83.281%0.80640%0.402SS*.THydrogen-bonded Turntrans-86.2-18174.5-71.1168.4000114.8Y391Y391-L393 PolarHBondContact O-N 2.75Å; Y391-L393 VanDerWaalsContact O-N 3.16Å
394R40.5Very low52.4Low115 Ų11583 Ų8343%0.43440%0.397SS..THydrogen-bonded Turntrans-114.6-1-177.6-78.1-176.1172.6172.3-0114.8Y391 T396Y391-R394 CarbonylContact O-C 3.59Å; Y391-R394 PolarHBondContact O-N 3.17Å; R394-T396 PolarHBondContact O-N 3.26Å
395L43Very low51.8Low35 Ų3583.9 Ų83.918%0.18341%0.407CS..  trans-60.2106.7171.6-90.6166.8000110.1Y391 L392 V399 R400Y391-L395 WeakPolarHBondContact O-CB 3.47Å; Y391-L395 VanDerWaalsContact O-CG 3.23Å; Y391-L395 WeakPolarHBondContact O-CG 3.14Å; Y391-L395 PolarHBondContact O-N 3.39Å; L392-L395 HydrophobicContact CD2-CD1 4.46Å; L395-V399 HydrophobicContact CD2-CB 3.74Å; L395-V399 HydrophobicContact CD2-CG1 3.39Å; L395-R400 HydrophobicContact CB-CB 4.4Å; L395-R400 PolarHBondContact O-NE 3.49Å; L395-R400 PolarHBondContact O-NH2 2.9Å
396T44.9Very low50.9Low62 Ų6286 Ų8638%0.3842%0.424SS..  trans-56.9151.8173.462.40000110.2R394 K398 V399 R400 Y741R394-T396 PolarHBondContact O-N 3.26Å; T396-K398 PolarHBondContact O-N 3.31Å; T396-K398 VanDerWaalsContact O-N 3.14Å; T396-V399 PolarHBondContact O-N 2.87Å; T396-R400 PolarHBondContact O-N 2.92Å; T396-Y741 HydrophobicContact CG2-CE2 4.34Å
397S43.5Very low50.2Low95 Ų9585.9 Ų85.966%0.66442%0.423SS*.Hα-helixtrans-46.9-48.4-178.851.30000111.6V399 R400 E401S397-V399 PolarHBondContact O-N 3.19Å; S397-R400 PolarHBondContact O-N 3.34Å; S397-E401 WeakPolarHBondContact O-CA 3.45Å; S397-E401 WeakPolarHBondContact O-CB 3.36Å; S397-E401 PolarHBondContact O-N 3.48Å
398K47.3Very low49.7Very low156 Ų15685.7 Ų85.768%0.67842%0.422SS*.Hα-helixtrans-62.7-34.7179.6-68.4-169.2173.2-172.50116.1T396 E401 K402T396-K398 PolarHBondContact O-N 3.31Å; T396-K398 VanDerWaalsContact O-N 3.14Å; K398-E401 WeakPolarHBondContact CA-OE2 3.32Å; K398-K402 VanDerWaalsContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CB 3.47Å; K398-K402 PolarHBondContact O-N 3.3Å
399V50.7Low50Low79 Ų7988.6 Ų88.648%0.47944%0.442SS..Hα-helixtrans-80.8-36.1178-174.50000110L395 T396 S397 K402 L403L395-V399 HydrophobicContact CD2-CB 3.74Å; L395-V399 HydrophobicContact CD2-CG1 3.39Å; T396-V399 PolarHBondContact O-N 2.87Å; S397-V399 PolarHBondContact O-N 3.19Å; V399-K402 PolarHBondContact O-N 3.27Å; V399-L403 WeakPolarHBondContact O-CB 3.41Å; V399-L403 PolarHBondContact O-N 2.78Å
400R48.8Very low50.3Low105 Ų10588.8 Ų88.840%0.39644%0.442SS..Hα-helixtrans-62.5-46.5171.5-158.2-173.4-57.9-145.3-5.5111.1L395 T396 S397 L403 F404L395-R400 HydrophobicContact CB-CB 4.4Å; L395-R400 PolarHBondContact O-NE 3.49Å; L395-R400 PolarHBondContact O-NH2 2.9Å; T396-R400 PolarHBondContact O-N 2.92Å; S397-R400 PolarHBondContact O-N 3.34Å; R400-L403 PolarHBondContact O-N 2.82Å; R400-F404 HydrophobicContact CG-CD2 3.92Å; R400-F404 HydrophobicContact CG-CE2 3.68Å; R400-F404 WeakPolarHBondContact O-CB 3.43Å; R400-F404 VanDerWaalsContact O-CD2 3.26Å; R400-F404 WeakPolarHBondContact O-CD2 3.48Å; R400-F404 PolarHBondContact O-N 3.46Å
401E51.1Low50.6Low117 Ų11784.4 Ų84.455%0.54743%0.426SS..Hα-helixtrans-59.7-40173.1175.8-178-137.400111.7S397 K398 F404 T405S397-E401 WeakPolarHBondContact O-CA 3.45Å; S397-E401 WeakPolarHBondContact O-CB 3.36Å; S397-E401 PolarHBondContact O-N 3.48Å; K398-E401 WeakPolarHBondContact CA-OE2 3.32Å; E401-F404 CarbonylContact O-C 3.58Å; E401-T405 VanDerWaalsContact O-CB 3.29Å; E401-T405 WeakPolarHBondContact O-CB 3.45Å; E401-T405 PolarHBondContact O-N 3.43Å; E401-T405 PolarHBondContact O-OG1 3.14Å
402K57.3Low51Low154 Ų15484.7 Ų84.767%0.6743%0.433SS*.Hα-helixtrans-72.9-35.4175.5-167.3172.4-175.1179.10113K398 V399 T405 T406K398-K402 VanDerWaalsContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CB 3.47Å; K398-K402 PolarHBondContact O-N 3.3Å; V399-K402 PolarHBondContact O-N 3.27Å; K402-T405 PolarHBondContact O-N 2.9Å; K402-T406 PolarHBondContact O-N 3Å; K402-T406 PolarHBondContact O-OG1 3.18Å
403L57.4Low51.6Low83 Ų8385.5 Ų85.544%0.43543%0.432SS..Hα-helixtrans-64.1-50.7171.7-161.786.1000109.8V399 R400 T405 T406 M407V399-L403 WeakPolarHBondContact O-CB 3.41Å; V399-L403 PolarHBondContact O-N 2.78Å; R400-L403 PolarHBondContact O-N 2.82Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 3.09Å; L403-T406 WeakPolarHBondContact O-CB 3.37Å; L403-T406 PolarHBondContact O-N 2.79Å; L403-T406 VanDerWaalsContact O-N 3.12Å; L403-M407 HydrophobicContact CD2-CE 3.88Å; L403-M407 HydrophobicContact CD2-SD 4.11Å; L403-M407 HydrophobicContact CG-CE 4.13Å; L403-M407 HydrophobicContact CG-SD 4.15Å; L403-M407 WeakPolarHBondContact O-CG 3.47Å; L403-M407 PolarHBondContact O-N 3.48Å
404F54.8Low52.1Low72 Ų7282 Ų8232%0.31641%0.41SS..Hα-helixtrans-59.9-36.8172.6-78.5-51.3000112.5R400 E401 T406 M407 N408R400-F404 HydrophobicContact CG-CD2 3.92Å; R400-F404 HydrophobicContact CG-CE2 3.68Å; R400-F404 WeakPolarHBondContact O-CB 3.43Å; R400-F404 VanDerWaalsContact O-CD2 3.26Å; R400-F404 WeakPolarHBondContact O-CD2 3.48Å; R400-F404 PolarHBondContact O-N 3.46Å; E401-F404 CarbonylContact O-C 3.58Å; F404-T406 VanDerWaalsContact C-N 3.31Å; F404-T406 PolarHBondContact O-N 3.49Å; F404-M407 CarbonylContact O-C 3.49Å; F404-M407 PolarHBondContact O-N 2.67Å; F404-N408 WeakPolarHBondContact O-CA 3.27Å; F404-N408 WeakPolarHBondContact O-CB 3.35Å; F404-N408 PolarHBondContact O-N 3.35Å; F404-N408 PolarHBondContact O-OD1 3.24Å; F404-N408 VanDerWaalsContact O-OD1 3.08Å
405T59.3Low52.7Low77 Ų7780.5 Ų80.547%0.47241%0.41SS..Hα-helixtrans-63.9-40.8175.1-59.40000110.2E401 K402 L403 N408 T409E401-T405 VanDerWaalsContact O-CB 3.29Å; E401-T405 WeakPolarHBondContact O-CB 3.45Å; E401-T405 PolarHBondContact O-N 3.43Å; E401-T405 PolarHBondContact O-OG1 3.14Å; K402-T405 PolarHBondContact O-N 2.9Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 3.09Å; T405-N408 PolarHBondContact O-N 3.04Å; T405-T409 WeakPolarHBondContact O-CB 3.37Å; T405-T409 PolarHBondContact O-N 3.43Å; T405-T409 PolarHBondContact O-OG1 2.73Å
406T59.6Low53.1Low78 Ų7883.9 Ų83.948%0.47943%0.432SS..Hα-helixtrans-67.4-44.9176.8-48.60000111.1K402 L403 F404 T409 I410K402-T406 PolarHBondContact O-N 3Å; K402-T406 PolarHBondContact O-OG1 3.18Å; L403-T406 WeakPolarHBondContact O-CB 3.37Å; L403-T406 PolarHBondContact O-N 2.79Å; L403-T406 VanDerWaalsContact O-N 3.12Å; F404-T406 VanDerWaalsContact C-N 3.31Å; F404-T406 PolarHBondContact O-N 3.49Å; T406-T409 PolarHBondContact O-N 2.89Å; T406-I410 HydrophobicContact CG2-CD1 4.37Å; T406-I410 WeakPolarHBondContact O-CG1 3.21Å; T406-I410 PolarHBondContact O-N 3.07Å; T406-I410 VanDerWaalsContact O-N 3.12Å
407M58.3Low53.1Low22 Ų2287.2 Ų87.211%0.10844%0.441CS..Hα-helixtrans-64.5-37.4175.5-72169.8163.600112.3L403 F404 I410 S411 G434 M437L403-M407 HydrophobicContact CD2-CE 3.88Å; L403-M407 HydrophobicContact CD2-SD 4.11Å; L403-M407 HydrophobicContact CG-CE 4.13Å; L403-M407 HydrophobicContact CG-SD 4.15Å; L403-M407 WeakPolarHBondContact O-CG 3.47Å; L403-M407 PolarHBondContact O-N 3.48Å; F404-M407 CarbonylContact O-C 3.49Å; F404-M407 PolarHBondContact O-N 2.67Å; M407-I410 CarbonylContact O-C 3.59Å; M407-I410 PolarHBondContact O-N 2.86Å; M407-S411 VanDerWaalsContact O-CB 3.29Å; M407-S411 WeakPolarHBondContact O-CB 3.47Å; M407-S411 PolarHBondContact O-N 2.9Å; M407-G434 WeakPolarHBondContact CE-O 3.34Å; M407-G434 VanDerWaalsContact SD-CA 3.55Å; M407-M437 HydrophobicContact CE-CB 4.44Å; M407-M437 HydrophobicContact CG-SD 4.35Å
408N51.8Low52.9Low50 Ų5086.8 Ų86.827%0.26744%0.438SS..Hα-helixtrans-72.1-39.8176-69.46000110.7F404 T405 I410 S411 D412F404-N408 WeakPolarHBondContact O-CA 3.27Å; F404-N408 WeakPolarHBondContact O-CB 3.35Å; F404-N408 PolarHBondContact O-N 3.35Å; F404-N408 PolarHBondContact O-OD1 3.24Å; F404-N408 VanDerWaalsContact O-OD1 3.08Å; T405-N408 PolarHBondContact O-N 3.04Å; N408-I410 PolarHBondContact O-N 2.96Å; N408-S411 CarbonylContact O-C 3.58Å; N408-S411 PolarHBondContact O-N 2.84Å; N408-D412 VanDerWaalsContact O-CB 3.3Å; N408-D412 WeakPolarHBondContact O-CB 3.44Å; N408-D412 PolarHBondContact O-N 2.97Å
409T60Low52.4Low90 Ų9086.3 Ų86.355%0.55244%0.443SS*.Hα-helixtrans-58-37.3173.1-51.40000110.8T405 T406 Y413T405-T409 WeakPolarHBondContact O-CB 3.37Å; T405-T409 PolarHBondContact O-N 3.43Å; T405-T409 PolarHBondContact O-OG1 2.73Å; T406-T409 PolarHBondContact O-N 2.89Å; T409-Y413 WeakPolarHBondContact O-CB 3.18Å; T409-Y413 PolarHBondContact O-N 3.3Å
410I57.4Low52Low62 Ų6291.1 Ų91.132%0.31846%0.46SS..Hα-helixtrans-75.3-37.9174.8-67.1167000111.2T406 M407 N408 Y413 F414 M437T406-I410 HydrophobicContact CG2-CD1 4.37Å; T406-I410 WeakPolarHBondContact O-CG1 3.21Å; T406-I410 PolarHBondContact O-N 3.07Å; T406-I410 VanDerWaalsContact O-N 3.12Å; M407-I410 CarbonylContact O-C 3.59Å; M407-I410 PolarHBondContact O-N 2.86Å; N408-I410 PolarHBondContact O-N 2.96Å; I410-Y413 WeakPolarHBondContact O-CB 3.44Å; I410-F414 HydrophobicContact CG2-CD2 3.99Å; I410-F414 HydrophobicContact CG2-CE2 3.61Å; I410-F414 WeakPolarHBondContact O-CD2 3.46Å; I410-F414 PolarHBondContact O-N 3.12Å; I410-M437 HydrophobicContact CB-CE 4.48Å; I410-M437 HydrophobicContact CD1-CE 3.78Å; I410-M437 HydrophobicContact CG2-CE 3.96Å; I410-M437 HydrophobicContact CG2-SD 4.29Å
411S53.2Low51.5Low1 Ų192.4 Ų92.41%0.00748%0.475CS..Hα-helixtrans-70-46.7179.1-165.90000112.5M407 N408 Y413 F414 I415 L430 L433M407-S411 VanDerWaalsContact O-CB 3.29Å; M407-S411 WeakPolarHBondContact O-CB 3.47Å; M407-S411 PolarHBondContact O-N 2.9Å; N408-S411 CarbonylContact O-C 3.58Å; N408-S411 PolarHBondContact O-N 2.84Å; S411-Y413 PolarHBondContact O-N 3.29Å; S411-F414 CarbonylContact O-C 3.53Å; S411-F414 WeakPolarHBondContact O-CA 3.27Å; S411-F414 PolarHBondContact O-N 2.85Å; S411-I415 WeakPolarHBondContact O-CB 3.46Å; S411-I415 VanDerWaalsContact O-CG1 3.28Å; S411-I415 WeakPolarHBondContact O-CG1 3.43Å; S411-I415 PolarHBondContact O-N 3.05Å; S411-L430 VanDerWaalsContact OG-CD2 3.29Å; S411-L430 WeakPolarHBondContact OG-CD2 3.38Å; S411-L433 WeakPolarHBondContact OG-CD2 3.49Å
412D52.6Low51Low91 Ų9194.2 Ų94.249%0.48748%0.483SS..Hα-helixtrans-58.9-37.5175.3-66.9-27.7000110.9N408 F414 I415 T416N408-D412 VanDerWaalsContact O-CB 3.3Å; N408-D412 WeakPolarHBondContact O-CB 3.44Å; N408-D412 PolarHBondContact O-N 2.97Å; D412-F414 VanDerWaalsContact C-N 3.34Å; D412-F414 PolarHBondContact O-N 3.49Å; D412-I415 PolarHBondContact O-N 3.02Å; D412-T416 WeakPolarHBondContact O-CB 3.37Å; D412-T416 VanDerWaalsContact O-CG2 3.3Å; D412-T416 WeakPolarHBondContact O-CG2 3.34Å; D412-T416 PolarHBondContact O-N 3.22Å; D412-T416 PolarHBondContact O-OG1 3.11Å
413Y52.5Low50.1Low98 Ų9893.6 Ų93.638%0.38449%0.487SS..Hα-helixtrans-63.8-33.9172.3176.5-95.6000113.1T123 T409 I410 S411 T416T123-Y413 WeakPolarHBondContact CB-OH 3.5Å; T123-Y413 WeakPolarHBondContact CG2-OH 3.35Å; T409-Y413 WeakPolarHBondContact O-CB 3.18Å; T409-Y413 PolarHBondContact O-N 3.3Å; I410-Y413 WeakPolarHBondContact O-CB 3.44Å; S411-Y413 PolarHBondContact O-N 3.29Å; Y413-T416 PolarHBondContact O-OG1 3.09Å
414F50Low49.5Very low80 Ų8096.9 Ų96.935%0.35151%0.505SS..Hα-helixtrans-80.4-37.5171.8-71.5-59.3000113.2F116 L120 I410 S411 D412 K417 S418F116-F414 HydrophobicContact CD1-CZ 4.5Å; F116-F414 HydrophobicContact CE1-CE1 4.5Å; L120-F414 HydrophobicContact CD1-CZ 4.49Å; I410-F414 HydrophobicContact CG2-CD2 3.99Å; I410-F414 HydrophobicContact CG2-CE2 3.61Å; I410-F414 WeakPolarHBondContact O-CD2 3.46Å; I410-F414 PolarHBondContact O-N 3.12Å; S411-F414 CarbonylContact O-C 3.53Å; S411-F414 WeakPolarHBondContact O-CA 3.27Å; S411-F414 PolarHBondContact O-N 2.85Å; D412-F414 VanDerWaalsContact C-N 3.34Å; D412-F414 PolarHBondContact O-N 3.49Å; F414-K417 PolarHBondContact O-N 2.74Å; F414-S418 PolarHBondContact O-N 3.05Å
415I54.2Low49.3Very low84 Ų8497.4 Ų97.443%0.43152%0.515SS..Hα-helixtrans-65.5-40.7178.9-69.7164.2000110.5S411 D412 K417 S418S411-I415 WeakPolarHBondContact O-CB 3.46Å; S411-I415 VanDerWaalsContact O-CG1 3.28Å; S411-I415 WeakPolarHBondContact O-CG1 3.43Å; S411-I415 PolarHBondContact O-N 3.05Å; D412-I415 PolarHBondContact O-N 3.02Å; I415-K417 PolarHBondContact O-N 2.78Å; I415-S418 CarbonylContact O-C 3.55Å; I415-S418 WeakPolarHBondContact O-CA 3.46Å; I415-S418 PolarHBondContact O-N 3.02Å
416T49.6Very low48.8Very low106 Ų10699 Ų9965%0.6552%0.521SS*.THydrogen-bonded Turntrans-66.5-19.7175.448.50000113.9D412 Y413D412-T416 WeakPolarHBondContact O-CB 3.37Å; D412-T416 VanDerWaalsContact O-CG2 3.3Å; D412-T416 WeakPolarHBondContact O-CG2 3.34Å; D412-T416 PolarHBondContact O-N 3.22Å; D412-T416 PolarHBondContact O-OG1 3.11Å; Y413-T416 PolarHBondContact O-OG1 3.09Å
417K46.7Very low48.4Very low131 Ų131103.8 Ų103.857%0.5754%0.538SS*.THydrogen-bonded Turntrans-86.8-8.9169.9-148.6173-178179.40112.3D119 F414 I415D119-K417 IonicContact OD2-NZ 2.8Å; D119-K417 PolarHBondContact OD2-NZ 3.4Å; F414-K417 PolarHBondContact O-N 2.74Å; I415-K417 PolarHBondContact O-N 2.78Å
418S39.3Very low48.2Very low87 Ų87106.6 Ų106.661%0.60856%0.56SS**  trans-112.467.6-175.1-178.70000112.9F414 I415 H420F414-S418 PolarHBondContact O-N 3.05Å; I415-S418 CarbonylContact O-C 3.55Å; I415-S418 WeakPolarHBondContact O-CA 3.46Å; I415-S418 PolarHBondContact O-N 3.02Å; S418-H420 PolarHBondContact O-N 2.84Å
419N35.1Very low48.2Very low146 Ų146110.9 Ų110.978%0.78157%0.573SS**  trans-63.297.3170.5-81.4-45.8000111.8
420H43.3Very low47.7Very low179 Ų179108.6 Ų108.683%0.82956%0.557SS**  trans-165.5136.1141.2-95.2-49.1000114.2S418S418-H420 PolarHBondContact O-N 2.84Å
421N37.3Very low47.6Very low133 Ų133110.9 Ų110.971%0.71156%0.563SS**  trans-27.1154.7174.7-51.4-16.1000120.5
422H42.3Very low47.8Very low154 Ų154115.2 Ų115.271%0.71358%0.583SS**  trans101.1102.9156.9-64.5-69.9000119.6
423N37.8Very low48Very low141 Ų141112.4 Ų112.475%0.75457%0.568SS**  52.892.5122.3-52.73.6000118.9
424D45Very low48.4Very low153 Ų153108 Ų10882%0.81855%0.552SS**  trans60.379.8138.1-159.414.6000119.5
425P51Low48.9Very low82 Ų82106 Ų10653%0.53255%0.545SS..  trans-143.924.514740.1-25.4000114.6E427 S428P425-E427 PolarHBondContact O-N 3.31Å; P425-S428 PolarHBondContact O-N 2.73Å
426N48.4Very low49.5Very low111 Ų111106.5 Ų106.559%0.59455%0.548SS*.Hα-helixtrans-64.3-37.3-152.3-73.5-1.8000117.4S428 Y429 L430N426-S428 VanDerWaalsContact C-N 3.32Å; N426-S428 PolarHBondContact O-N 3.49Å; N426-Y429 PolarHBondContact O-N 2.91Å; N426-L430 WeakPolarHBondContact O-CG 3.15Å; N426-L430 PolarHBondContact O-N 3.27Å; N426-L430 VanDerWaalsContact O-N 3.1Å
427E49.9Very low50.1Low179 Ų179103.6 Ų103.684%0.83653%0.528SS*.Hα-helixtrans-63-38.1-177.1-72.1-164.8136.100112.8P425 L430 Y431P425-E427 PolarHBondContact O-N 3.31Å; E427-L430 PolarHBondContact O-N 2.78Å; E427-Y431 WeakPolarHBondContact O-CB 3.46Å; E427-Y431 PolarHBondContact O-N 3.49Å
428S55Low51Low81 Ų8199.1 Ų99.157%0.56651%0.509SS*.Hα-helixtrans-65.7-41.6179.3-173.50000111.5P425 N426 Y431 E432P425-S428 PolarHBondContact O-N 2.73Å; N426-S428 VanDerWaalsContact C-N 3.32Å; N426-S428 PolarHBondContact O-N 3.49Å; S428-Y431 PolarHBondContact O-N 3.27Å; S428-E432 WeakPolarHBondContact O-CG 3.1Å; S428-E432 PolarHBondContact O-N 3.46Å
429Y50.9Low52.4Low140 Ų14097.6 Ų97.655%0.54949%0.493SS..Hα-helixtrans-65.4-43.6177-176.9-98.4000112.2N426 Y431 E432 L433N426-Y429 PolarHBondContact O-N 2.91Å; Y429-Y431 VanDerWaalsContact C-N 3.3Å; Y429-Y431 PolarHBondContact O-N 2.97Å; Y429-E432 PolarHBondContact O-N 3.4Å; Y429-L433 HydrophobicContact CE1-CD2 4.2Å; Y429-L433 VanDerWaalsContact O-CB 3.29Å; Y429-L433 WeakPolarHBondContact O-CB 3.45Å; Y429-L433 PolarHBondContact O-N 3.23Å
430L51.4Low54Low41 Ų4192.9 Ų92.922%0.21547%0.471CS..Hα-helixtrans-63.4-36176.1-69.1173.8000112S411 N426 E427 G434S411-L430 VanDerWaalsContact OG-CD2 3.29Å; S411-L430 WeakPolarHBondContact OG-CD2 3.38Å; N426-L430 WeakPolarHBondContact O-CG 3.15Å; N426-L430 PolarHBondContact O-N 3.27Å; N426-L430 VanDerWaalsContact O-N 3.1Å; E427-L430 PolarHBondContact O-N 2.78Å; L430-G434 PolarHBondContact O-N 3.49Å
431Y53.3Low55.4Low110 Ų11088 Ų8843%0.43145%0.451SS..Hα-helixtrans-67.6-45.8173.8-174.6-107.4000112.4L209 E427 S428 Y429 L433 G434 N435L209-Y431 HydrophobicContact CD2-CE1 3.99Å; L209-Y431 VanDerWaalsContact CD2-OH 3.25Å; L209-Y431 WeakPolarHBondContact CD2-OH 3.4Å; E427-Y431 WeakPolarHBondContact O-CB 3.46Å; E427-Y431 PolarHBondContact O-N 3.49Å; S428-Y431 PolarHBondContact O-N 3.27Å; Y429-Y431 VanDerWaalsContact C-N 3.3Å; Y429-Y431 PolarHBondContact O-N 2.97Å; Y431-L433 PolarHBondContact O-N 3.24Å; Y431-G434 PolarHBondContact O-N 3Å; Y431-N435 WeakPolarHBondContact CD1-ND2 3.36Å; Y431-N435 WeakPolarHBondContact CE1-ND2 3.42Å; Y431-N435 WeakPolarHBondContact O-CB 3.48Å; Y431-N435 VanDerWaalsContact O-CG 3.28Å; Y431-N435 PolarHBondContact O-N 3.44Å; Y431-N435 PolarHBondContact O-ND2 3.3Å
432E57.5Low57.1Low93 Ų9382.1 Ų82.144%0.43542%0.419SS..Hα-helixtrans-62.8-41174.9-66.1-132.8144.300112.2K206 S428 Y429 N435 L436K206-E432 WeakPolarHBondContact CE-OE1 3.23Å; K206-E432 IonicContact NZ-OE1 2.77Å; K206-E432 PolarHBondContact NZ-OE1 3.01Å; K206-E432 IonicContact NZ-OE2 3.22Å; K206-E432 PolarHBondContact NZ-OE2 2.74Å; S428-E432 WeakPolarHBondContact O-CG 3.1Å; S428-E432 PolarHBondContact O-N 3.46Å; Y429-E432 PolarHBondContact O-N 3.4Å; E432-N435 PolarHBondContact O-N 2.89Å; E432-L436 WeakPolarHBondContact O-CB 3.44Å; E432-L436 PolarHBondContact O-N 2.88Å
433L58.5Low58.8Low31 Ų3180.4 Ų80.416%0.16241%0.407CS..Hα-helixtrans-66-45.4177.1179.961.1000111.8S411 Y429 Y431 N435 L436 M437S411-L433 WeakPolarHBondContact OG-CD2 3.49Å; Y429-L433 HydrophobicContact CE1-CD2 4.2Å; Y429-L433 VanDerWaalsContact O-CB 3.29Å; Y429-L433 WeakPolarHBondContact O-CB 3.45Å; Y429-L433 PolarHBondContact O-N 3.23Å; Y431-L433 PolarHBondContact O-N 3.24Å; L433-N435 VanDerWaalsContact C-N 3.33Å; L433-N435 PolarHBondContact O-N 3.13Å; L433-L436 PolarHBondContact O-N 2.79Å; L433-M437 HydrophobicContact CD1-CG 4.36Å; L433-M437 HydrophobicContact CG-SD 4.4Å; L433-M437 WeakPolarHBondContact O-CG 3.5Å; L433-M437 PolarHBondContact O-N 3.49Å
434G60.9Low60.6Low6 Ų675.8 Ų75.86%0.06238%0.382CS..Hα-helixtrans-60.9-41.8176.200000112.4M407 L430 Y431 F438M407-G434 WeakPolarHBondContact CE-O 3.34Å; M407-G434 VanDerWaalsContact SD-CA 3.55Å; L430-G434 PolarHBondContact O-N 3.49Å; Y431-G434 PolarHBondContact O-N 3Å; G434-F438 WeakPolarHBondContact O-CB 3.42Å; G434-F438 PolarHBondContact O-N 3.12Å
435N60.4Low62.4Low38 Ų3869 Ų6920%0.20335%0.346CS..Hα-helixtrans-63.8-44.6172.6-74.1-40.2000111.8Y431 E432 L433 M437 F438 N439Y431-N435 WeakPolarHBondContact CD1-ND2 3.36Å; Y431-N435 WeakPolarHBondContact CE1-ND2 3.42Å; Y431-N435 WeakPolarHBondContact O-CB 3.48Å; Y431-N435 VanDerWaalsContact O-CG 3.28Å; Y431-N435 PolarHBondContact O-N 3.44Å; Y431-N435 PolarHBondContact O-ND2 3.3Å; E432-N435 PolarHBondContact O-N 2.89Å; L433-N435 VanDerWaalsContact C-N 3.33Å; L433-N435 PolarHBondContact O-N 3.13Å; N435-M437 PolarHBondContact O-N 2.79Å; N435-F438 PolarHBondContact O-N 2.74Å; N435-N439 PolarHBondContact O-N 3.47Å; N435-N439 PolarHBondContact O-ND2 3.3Å
436L65.3Low64Low94 Ų9465.8 Ų65.849%0.49233%0.325SS..Hα-helixtrans-59.7-47.4177-179.463.5000111.3E432 L433 F438 N439 C440E432-L436 WeakPolarHBondContact O-CB 3.44Å; E432-L436 PolarHBondContact O-N 2.88Å; L433-L436 PolarHBondContact O-N 2.79Å; L436-F438 PolarHBondContact O-N 2.94Å; L436-N439 PolarHBondContact O-N 3.08Å; L436-C440 PolarHBondContact O-N 2.87Å; L436-C440 PolarHBondContact O-SG 2.67Å
437M64Low65.6Low46 Ų4665.7 Ų65.723%0.22732%0.316CS..Hα-helixtrans-60.2-42.9176.1-71.7-177.472.600112.2M407 I410 L433 N435 C440 I441M407-M437 HydrophobicContact CE-CB 4.44Å; M407-M437 HydrophobicContact CG-SD 4.35Å; I410-M437 HydrophobicContact CB-CE 4.48Å; I410-M437 HydrophobicContact CD1-CE 3.78Å; I410-M437 HydrophobicContact CG2-CE 3.96Å; I410-M437 HydrophobicContact CG2-SD 4.29Å; L433-M437 HydrophobicContact CD1-CG 4.36Å; L433-M437 HydrophobicContact CG-SD 4.4Å; L433-M437 WeakPolarHBondContact O-CG 3.5Å; L433-M437 PolarHBondContact O-N 3.49Å; N435-M437 PolarHBondContact O-N 2.79Å; M437-C440 WeakPolarHBondContact O-CB 3.42Å; M437-C440 PolarHBondContact O-N 2.8Å; M437-I441 VanDerWaalsContact O-CG1 3.29Å; M437-I441 WeakPolarHBondContact O-CG1 3.42Å; M437-I441 PolarHBondContact O-N 3.39Å
438F65.4Low67.2Low37 Ų3763.7 Ų63.716%0.16230%0.301CS..Hα-helixtrans-62-46.4177.3-175-102.4000111.9F384 E388 G434 N435 L436 C440 I441 Q442F384-F438 HydrophobicContact CE1-CE2 4.25Å; F384-F438 HydrophobicContact CZ-CD2 4.32Å; F384-F438 HydrophobicContact CZ-CE2 4.04Å; E388-F438 HydrophobicContact CB-CE1 4.02Å; E388-F438 HydrophobicContact CB-CZ 4.22Å; E388-F438 HydrophobicContact CG-CE1 4Å; G434-F438 WeakPolarHBondContact O-CB 3.42Å; G434-F438 PolarHBondContact O-N 3.12Å; N435-F438 PolarHBondContact O-N 2.74Å; L436-F438 PolarHBondContact O-N 2.94Å; F438-C440 VanDerWaalsContact C-N 3.32Å; F438-C440 PolarHBondContact O-N 3.39Å; F438-I441 PolarHBondContact O-N 3.3Å; F438-Q442 HydrophobicContact CD1-CG 4.24Å; F438-Q442 VanDerWaalsContact CD1-OE1 3.31Å; F438-Q442 HydrophobicContact CE1-CG 3.85Å; F438-Q442 HydrophobicContact CZ-CG 4.03Å; F438-Q442 PolarHBondContact O-N 3.49Å
439N66.9Low68.7Low54 Ų5459.9 Ų59.929%0.28927%0.274SS..Hα-helixtrans-58-42.4174-79.8-85.3000111.9F205 N435 L436 Q442 Y443F205-N439 WeakPolarHBondContact CG-OD1 3.48Å; N435-N439 PolarHBondContact O-N 3.47Å; N435-N439 PolarHBondContact O-ND2 3.3Å; L436-N439 PolarHBondContact O-N 3.08Å; N439-Q442 PolarHBondContact O-N 3.16Å; N439-Y443 WeakPolarHBondContact O-CB 3.36Å; N439-Y443 PolarHBondContact O-N 2.88Å
440C68.6Low70.3Confident47 Ų4754.5 Ų54.532%0.31825%0.253SS..Hα-helixtrans-62-42.3176-72.20000112.5L436 M437 F438 Y443 D444L436-C440 PolarHBondContact O-N 2.87Å; L436-C440 PolarHBondContact O-SG 2.67Å; M437-C440 WeakPolarHBondContact O-CB 3.42Å; M437-C440 PolarHBondContact O-N 2.8Å; F438-C440 VanDerWaalsContact C-N 3.32Å; F438-C440 PolarHBondContact O-N 3.39Å; C440-Y443 PolarHBondContact O-N 2.77Å; C440-D444 PolarHBondContact O-N 3.39Å
441I72.9Confident71.7Confident78 Ų7855.9 Ų55.940%0.426%0.256SS..Hα-helixtrans-71.5-39.9179.2-58.7160.8000110.9F384 M437 F438 Y443 D444 C445F384-I441 HydrophobicContact CD1-CG2 4.2Å; F384-I441 HydrophobicContact CE1-CB 4.03Å; F384-I441 HydrophobicContact CE1-CG2 3.43Å; F384-I441 VanDerWaalsContact CE1-CG2 3.43Å; F384-I441 HydrophobicContact CE2-CG2 4.3Å; F384-I441 HydrophobicContact CZ-CB 4.12Å; F384-I441 HydrophobicContact CZ-CG2 3.49Å; F384-I441 VanDerWaalsContact CZ-CG2 3.49Å; M437-I441 VanDerWaalsContact O-CG1 3.29Å; M437-I441 WeakPolarHBondContact O-CG1 3.42Å; M437-I441 PolarHBondContact O-N 3.39Å; F438-I441 PolarHBondContact O-N 3.3Å; I441-Y443 VanDerWaalsContact C-N 3.33Å; I441-Y443 PolarHBondContact O-N 2.87Å; I441-D444 PolarHBondContact O-N 3Å; I441-C445 PolarHBondContact O-N 3.1Å; I441-C445 PolarHBondContact O-SG 3.45Å
442Q73.4Confident73.2Confident8 Ų853.6 Ų53.64%0.03725%0.247CC..Hα-helixtrans-60-42.7171.8-76.4179.9-62.100111.8F384 W385 E388 F438 N439 C445 L446F384-Q442 HydrophobicContact CE1-CG 4.23Å; W385-Q442 PolarHBondContact O-NE2 2.99Å; E388-Q442 PolarHBondContact OE2-NE2 3.37Å; F438-Q442 HydrophobicContact CD1-CG 4.24Å; F438-Q442 VanDerWaalsContact CD1-OE1 3.31Å; F438-Q442 HydrophobicContact CE1-CG 3.85Å; F438-Q442 HydrophobicContact CZ-CG 4.03Å; F438-Q442 PolarHBondContact O-N 3.49Å; N439-Q442 PolarHBondContact O-N 3.16Å; Q442-C445 PolarHBondContact O-N 2.99Å; Q442-L446 WeakPolarHBondContact O-CB 3.36Å; Q442-L446 PolarHBondContact O-N 3.19Å
443Y78.8Confident74.6Confident119 Ų11950.9 Ų50.947%0.46723%0.233SC..Hα-helixtrans-62.7-41.3175.9-179.3-94.8000111.7N439 C440 I441 L446 R447N439-Y443 WeakPolarHBondContact O-CB 3.36Å; N439-Y443 PolarHBondContact O-N 2.88Å; C440-Y443 PolarHBondContact O-N 2.77Å; I441-Y443 VanDerWaalsContact C-N 3.33Å; I441-Y443 PolarHBondContact O-N 2.87Å; Y443-L446 PolarHBondContact O-N 2.69Å; Y443-R447 WeakPolarHBondContact O-CB 3.21Å; Y443-R447 PolarHBondContact O-N 2.86Å
444D74.5Confident75.9Confident44 Ų4449.4 Ų49.424%0.23523%0.225CC..Hα-helixtrans-71.2-34176.6-167.852.5000112.9C440 I441 R447 R448C440-D444 PolarHBondContact O-N 3.39Å; I441-D444 PolarHBondContact O-N 3Å; D444-R447 WeakPolarHBondContact O-CB 3.22Å; D444-R447 PolarHBondContact O-N 3.43Å; D444-R448 WeakPolarHBondContact O-CB 3.44Å; D444-R448 VanDerWaalsContact O-CG 3.27Å; D444-R448 WeakPolarHBondContact O-CG 3.49Å; D444-R448 PolarHBondContact O-N 3.21Å; D444-R448 IonicContact OD2-CZ 2.94Å; D444-R448 IonicContact OD2-NE 2.8Å; D444-R448 PolarHBondContact OD2-NE 2.94Å; D444-R448 IonicContact OD2-NH2 3.13Å; D444-R448 PolarHBondContact OD2-NH2 3.49Å
445C82.7Confident77Confident9 Ų949.5 Ų49.56%0.06123%0.225CC..Hα-helixtrans-60.4-47.1169.5-68.40000111.1L381 F384 I441 Q442 R447 R448 L449L381-C445 HydrophobicContact CB-CB 4.42Å; L381-C445 HydrophobicContact CD2-CB 4.33Å; F384-C445 HydrophobicContact CD1-CB 4.49Å; F384-C445 VanDerWaalsContact CD1-SG 3.56Å; I441-C445 PolarHBondContact O-N 3.1Å; I441-C445 PolarHBondContact O-SG 3.45Å; Q442-C445 PolarHBondContact O-N 2.99Å; C445-R447 VanDerWaalsContact C-N 3.35Å; C445-R447 PolarHBondContact O-N 3.14Å; C445-R448 PolarHBondContact O-N 3.42Å; C445-L449 WeakPolarHBondContact O-CB 3.41Å; C445-L449 VanDerWaalsContact O-CG 3.31Å; C445-L449 WeakPolarHBondContact O-CG 3.46Å; C445-L449 PolarHBondContact O-N 3.33Å
446L84.2Confident78.2Confident16 Ų1651.2 Ų51.28%0.08423%0.228CC..Hα-helixtrans-63.3-38.5174.8179.361000112.1L95 L99 Q442 Y443 L449 R450L95-L446 HydrophobicContact CD1-CD1 4.15Å; L99-L446 HydrophobicContact CD2-CD1 4.2Å; Q442-L446 WeakPolarHBondContact O-CB 3.36Å; Q442-L446 PolarHBondContact O-N 3.19Å; Y443-L446 PolarHBondContact O-N 2.69Å; L446-L449 PolarHBondContact O-N 3.47Å; L446-R450 HydrophobicContact CD1-CG 4.3Å; L446-R450 WeakPolarHBondContact O-CG 3.15Å; L446-R450 PolarHBondContact O-N 2.76Å
447R82.9Confident79.3Confident108 Ų10846.8 Ų46.841%0.40821%0.205SC..Hα-helixtrans-59.9-52.9173.9-172.9-174.3-176.8-1773.7110.2Y443 D444 C445 L449 R450 Y451Y443-R447 WeakPolarHBondContact O-CB 3.21Å; Y443-R447 PolarHBondContact O-N 2.86Å; D444-R447 WeakPolarHBondContact O-CB 3.22Å; D444-R447 PolarHBondContact O-N 3.43Å; C445-R447 VanDerWaalsContact C-N 3.35Å; C445-R447 PolarHBondContact O-N 3.14Å; R447-L449 VanDerWaalsContact C-N 3.3Å; R447-L449 PolarHBondContact O-N 2.91Å; R447-R450 PolarHBondContact O-N 3.43Å; R447-Y451 HydrophobicContact CG-CD2 3.59Å; R447-Y451 HydrophobicContact CG-CE2 3.9Å; R447-Y451 VanDerWaalsContact O-CB 3.32Å; R447-Y451 WeakPolarHBondContact O-CB 3.48Å; R447-Y451 WeakPolarHBondContact O-CD2 3.43Å; R447-Y451 PolarHBondContact O-N 2.93Å
448R83.3Confident80.3Confident138 Ų13844.6 Ų44.652%0.52119%0.194SC..Hα-helixtrans-59-39.6177.2-68.6172.6-163.4-145.26.4112L381 D444 C445 Y452 W453L381-R448 HydrophobicContact CD1-CB 3.65Å; D444-R448 WeakPolarHBondContact O-CB 3.44Å; D444-R448 VanDerWaalsContact O-CG 3.27Å; D444-R448 WeakPolarHBondContact O-CG 3.49Å; D444-R448 PolarHBondContact O-N 3.21Å; D444-R448 IonicContact OD2-CZ 2.94Å; D444-R448 IonicContact OD2-NE 2.8Å; D444-R448 PolarHBondContact OD2-NE 2.94Å; D444-R448 IonicContact OD2-NH2 3.13Å; D444-R448 PolarHBondContact OD2-NH2 3.49Å; C445-R448 PolarHBondContact O-N 3.42Å; R448-Y452 WeakPolarHBondContact O-CB 3.47Å; R448-Y452 PolarHBondContact O-N 2.8Å; R448-Y452 VanDerWaalsContact O-N 3.08Å; R448-W453 PolarHBondContact O-N 3.04Å
449L86.9Confident81Confident0 Ų043.4 Ų43.40%019%0.19CC..Iπ-helixtrans-61.6-50.2173.5-72.9166.2000111.9L99 F369 L373 L381 V382 C445 L446 R447 W453 L454L99-L449 HydrophobicContact CD2-CB 3.98Å; F369-L449 HydrophobicContact CZ-CD2 4.33Å; L373-L449 HydrophobicContact CD1-CD2 3.75Å; L381-L449 HydrophobicContact CB-CD1 4.12Å; L381-L449 HydrophobicContact CB-CD2 4.03Å; L381-L449 HydrophobicContact CB-CG 3.9Å; L381-L449 HydrophobicContact CD1-CD2 4.41Å; L381-L449 HydrophobicContact CD1-CG 4.31Å; V382-L449 HydrophobicContact CG2-CD1 3.83Å; V382-L449 HydrophobicContact CG2-CD2 3.82Å; C445-L449 WeakPolarHBondContact O-CB 3.41Å; C445-L449 VanDerWaalsContact O-CG 3.31Å; C445-L449 WeakPolarHBondContact O-CG 3.46Å; C445-L449 PolarHBondContact O-N 3.33Å; L446-L449 PolarHBondContact O-N 3.47Å; R447-L449 VanDerWaalsContact C-N 3.3Å; R447-L449 PolarHBondContact O-N 2.91Å; L449-W453 HydrophobicContact CD2-CB 4.27Å; L449-W453 HydrophobicContact CD2-CG 4.4Å; L449-W453 PolarHBondContact O-N 3.3Å; L449-L454 WeakPolarHBondContact O-CB 3.33Å; L449-L454 PolarHBondContact O-N 3.39Å
450R85.1Confident81.7Confident28 Ų2844.4 Ų44.411%0.10619%0.192CC..Iπ-helixtrans-68.2-35.5178.8-69.4-169.4-160.8-170.915.3114.5S98 L99 A101 P102 L103 L446 R447 P455S98-R450 PolarHBondContact O-NE 2.9Å; S98-R450 PolarHBondContact O-NH2 2.95Å; L99-R450 HydrophobicContact CD2-CG 4.08Å; A101-R450 PolarHBondContact O-NH1 2.89Å; P102-R450 PolarHBondContact O-NH1 3.01Å; P102-R450 VanDerWaalsContact O-NH1 3.09Å; L103-R450 HydrophobicContact CD2-CB 4.1Å; L103-R450 VanDerWaalsContact CD2-CD 3.5Å; L103-R450 HydrophobicContact CD2-CG 4.49Å; L446-R450 HydrophobicContact CD1-CG 4.3Å; L446-R450 WeakPolarHBondContact O-CG 3.15Å; L446-R450 PolarHBondContact O-N 2.76Å; R447-R450 PolarHBondContact O-N 3.43Å; R450-P455 WeakPolarHBondContact O-CD 3.4Å
451Y80.5Confident82.1Confident69 Ų6944.4 Ų44.427%0.27119%0.185SC..Iπ-helixtrans-92.8-19.5-171.6-86.6-89.1000114.8L103 F338 R447L103-Y451 HydrophobicContact CD1-CD2 4.48Å; L103-Y451 HydrophobicContact CD1-CE1 4.14Å; L103-Y451 HydrophobicContact CD1-CE2 4.04Å; L103-Y451 HydrophobicContact CD2-CD2 4.17Å; L103-Y451 HydrophobicContact CD2-CE2 3.55Å; L103-Y451 HydrophobicContact CG-CE2 4.4Å; F338-Y451 AromaticContact CZ-CD1 3.98Å; F338-Y451 HydrophobicContact CZ-CD1 3.98Å; F338-Y451 HydrophobicContact CZ-CE1 4.35Å; R447-Y451 HydrophobicContact CG-CD2 3.59Å; R447-Y451 HydrophobicContact CG-CE2 3.9Å; R447-Y451 VanDerWaalsContact O-CB 3.32Å; R447-Y451 WeakPolarHBondContact O-CB 3.48Å; R447-Y451 WeakPolarHBondContact O-CD2 3.43Å; R447-Y451 PolarHBondContact O-N 2.93Å
452Y83.6Confident82.1Confident63 Ų6341 Ų4125%0.24717%0.168CC..Iπ-helixtrans-128.2-50.7-175.6-177.7-98.5000112.7I337 R448 R456I337-Y452 HydrophobicContact CD1-CD2 4.11Å; I337-Y452 HydrophobicContact CD1-CE2 4.06Å; R448-Y452 WeakPolarHBondContact O-CB 3.47Å; R448-Y452 PolarHBondContact O-N 2.8Å; R448-Y452 VanDerWaalsContact O-N 3.08Å; Y452-R456 VanDerWaalsContact O-CG 3.29Å; Y452-R456 WeakPolarHBondContact O-CG 3.46Å; Y452-R456 PolarHBondContact O-N 3.03Å; Y452-R456 PolarHBondContact OH-NE 2.8Å; Y452-R456 PolarHBondContact OH-NH2 3.3Å
453W87.6Confident82.1Confident35 Ų3548.2 Ų48.213%0.13320%0.195CC..Iπ-helixtrans-78.3-46.1-173.6-68.1110.3000113.3F369 F372 L373 T376 N377 G378 R448 L449 R456 W457F369-W453 HydrophobicContact CZ-CB 4.46Å; F372-W453 HydrophobicContact CE1-CE3 4.48Å; L373-W453 HydrophobicContact CD2-CB 3.81Å; L373-W453 HydrophobicContact CD2-CD2 4.04Å; L373-W453 HydrophobicContact CD2-CE3 3.88Å; L373-W453 HydrophobicContact CD2-CG 4.04Å; T376-W453 HydrophobicContact CG2-CH2 4.43Å; T376-W453 HydrophobicContact CG2-CZ3 3.96Å; T376-W453 WeakPolarHBondContact OG1-CZ3 3.48Å; N377-W453 HydrophobicContact CB-CZ2 4.33Å; G378-W453 VanDerWaalsContact N-CZ2 3.3Å; R448-W453 PolarHBondContact O-N 3.04Å; L449-W453 HydrophobicContact CD2-CB 4.27Å; L449-W453 HydrophobicContact CD2-CG 4.4Å; L449-W453 PolarHBondContact O-N 3.3Å; W453-R456 PolarHBondContact O-N 3.15Å; W453-R456 VanDerWaalsContact O-N 3.14Å; W453-W457 PolarHBondContact O-N 3.43Å
454L86.6Confident81.7Confident0 Ų045 Ų450%019%0.185CC..Hα-helixtrans-58.9-48.6175.3179.369.5000111.5K356 L360 F369 L449 R456 W457 L458K356-L454 HydrophobicContact CD-CD2 4.05Å; K356-L454 HydrophobicContact CG-CD2 4.26Å; L360-L454 HydrophobicContact CD1-CD1 3.96Å; F369-L454 HydrophobicContact CD2-CD1 4.47Å; F369-L454 HydrophobicContact CE2-CB 4.26Å; F369-L454 HydrophobicContact CE2-CD1 4.3Å; L449-L454 WeakPolarHBondContact O-CB 3.33Å; L449-L454 PolarHBondContact O-N 3.39Å; L454-R456 PolarHBondContact O-N 3.45Å; L454-W457 HydrophobicContact CD1-CE3 3.77Å; L454-W457 HydrophobicContact CD1-CZ3 4.05Å; L454-W457 WeakPolarHBondContact O-CB 3.23Å; L454-W457 PolarHBondContact O-N 3.42Å; L454-L458 HydrophobicContact CD1-CD1 4.46Å; L454-L458 HydrophobicContact CG-CD1 4.22Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 2.7Å
455P84.5Confident81.3Confident9 Ų943.2 Ų43.26%0.05818%0.176CC..Hα-helixtrans-48.4-47.9166.1-38.641.4000116I337 I341 R450 W457 L458 L459I337-P455 HydrophobicContact CG2-CB 3.46Å; I337-P455 VanDerWaalsContact CG2-CB 3.46Å; I341-P455 HydrophobicContact CD1-CB 3.57Å; I341-P455 HydrophobicContact CD1-CG 3.89Å; R450-P455 WeakPolarHBondContact O-CD 3.4Å; P455-W457 VanDerWaalsContact C-N 3.35Å; P455-W457 PolarHBondContact O-N 3.36Å; P455-L458 PolarHBondContact O-N 2.96Å; P455-L459 WeakPolarHBondContact O-CB 3.27Å; P455-L459 WeakPolarHBondContact O-CG 3.34Å; P455-L459 PolarHBondContact O-N 3.2Å
456R84.5Confident80.1Confident74 Ų7448.5 Ų48.528%0.27920%0.198SC..Hα-helixtrans-67.1-34.8179.2-75.3175.8172.7-85.77.3112.6I337 F372 Y452 W453 L454 H460I337-R456 HydrophobicContact CD1-CG 3.96Å; F372-R456 HydrophobicContact CE1-CB 4.35Å; F372-R456 HydrophobicContact CZ-CB 3.95Å; Y452-R456 VanDerWaalsContact O-CG 3.29Å; Y452-R456 WeakPolarHBondContact O-CG 3.46Å; Y452-R456 PolarHBondContact O-N 3.03Å; Y452-R456 PolarHBondContact OH-NE 2.8Å; Y452-R456 PolarHBondContact OH-NH2 3.3Å; W453-R456 PolarHBondContact O-N 3.15Å; W453-R456 VanDerWaalsContact O-N 3.14Å; L454-R456 PolarHBondContact O-N 3.45Å; R456-H460 WeakPolarHBondContact O-CB 3.44Å; R456-H460 PolarHBondContact O-N 2.98Å
457W88.1Confident78.4Confident0 Ų053 Ų530%022%0.222CC..Hα-helixtrans-67.7-43.3174.1177.668.1000112.1L359 L360 G365 D368 F369 F372 W453 L454 P455 L459 H460 W461L359-W457 HydrophobicContact CB-CH2 3.68Å; L359-W457 HydrophobicContact CB-CZ3 3.94Å; L360-W457 HydrophobicContact CD1-CZ3 4.44Å; L360-W457 HydrophobicContact CD2-CH2 3.54Å; L360-W457 HydrophobicContact CD2-CZ2 4.42Å; L360-W457 HydrophobicContact CD2-CZ3 3.84Å; L360-W457 HydrophobicContact CG-CH2 3.94Å; L360-W457 HydrophobicContact CG-CZ3 3.89Å; G365-W457 WeakPolarHBondContact O-CZ2 3.29Å; D368-W457 HydrophobicContact CB-CZ2 4.38Å; D368-W457 PolarHBondContact OD2-NE1 2.69Å; F369-W457 HydrophobicContact CB-CD2 4.12Å; F369-W457 HydrophobicContact CB-CH2 4.29Å; F369-W457 HydrophobicContact CB-CZ2 3.86Å; F369-W457 HydrophobicContact CD2-CB 3.82Å; F369-W457 AromaticContact CD2-CD2 3.68Å; F369-W457 HydrophobicContact CD2-CD2 3.68Å; F369-W457 HydrophobicContact CD2-CE3 4.01Å; F369-W457 AromaticContact CD2-CG 3.63Å; F369-W457 HydrophobicContact CD2-CG 3.63Å; F369-W457 HydrophobicContact CE2-CB 4.08Å; F369-W457 HydrophobicContact CE2-CG 4.39Å; F369-W457 HydrophobicContact CG-CD2 4.36Å; F372-W457 HydrophobicContact CD1-CB 3.67Å; F372-W457 AromaticContact CD1-CD1 3.77Å; F372-W457 HydrophobicContact CD1-CG 4.08Å; F372-W457 HydrophobicContact CE1-CB 3.67Å; F372-W457 HydrophobicContact CG-CB 4.26Å; F372-W457 AromaticContact CG-CD1 3.57Å; F372-W457 HydrophobicContact CG-CG 4.3Å; F372-W457 HydrophobicContact CZ-CB 4.25Å; W453-W457 PolarHBondContact O-N 3.43Å; L454-W457 HydrophobicContact CD1-CE3 3.77Å; L454-W457 HydrophobicContact CD1-CZ3 4.05Å; L454-W457 WeakPolarHBondContact O-CB 3.23Å; L454-W457 PolarHBondContact O-N 3.42Å; P455-W457 VanDerWaalsContact C-N 3.35Å; P455-W457 PolarHBondContact O-N 3.36Å; W457-L459 VanDerWaalsContact C-N 3.33Å; W457-L459 PolarHBondContact O-N 2.88Å; W457-H460 CarbonylContact O-C 3.6Å; W457-H460 WeakPolarHBondContact O-CA 3.28Å; W457-H460 WeakPolarHBondContact O-CB 3.35Å; W457-H460 PolarHBondContact O-N 3.45Å; W457-W461 AromaticContact CD1-CD1 3.9Å; W457-W461 AromaticContact CD2-CD1 3.8Å; W457-W461 AromaticContact CE2-CD1 3.38Å; W457-W461 AromaticContact CE2-NE1 3.28Å; W457-W461 VanDerWaalsContact CE2-NE1 3.28Å; W457-W461 AromaticContact CZ2-CD1 3.74Å; W457-W461 AromaticContact CZ2-NE1 3.35Å; W457-W461 VanDerWaalsContact CZ2-NE1 3.35Å; W457-W461 AromaticContact NE1-CD1 3.41Å; W457-W461 AromaticContact NE1-NE1 3.21Å; W457-W461 PolarHBondContact O-N 3.29Å
458L84.8Confident76.4Confident1 Ų149 Ų491%0.00521%0.21CC..Hα-helixtrans-64.9-37.7176.2-64.2171.2000111.6M344 M352 L355 K356 L359 L454 P455 H460 W461 D462M344-L458 HydrophobicContact CE-CB 4.25Å; M352-L458 HydrophobicContact CE-CD1 4.29Å; M352-L458 HydrophobicContact SD-CD1 3.46Å; M352-L458 WeakPolarHBondContact SD-CD1 3.25Å; L355-L458 HydrophobicContact CD2-CD2 4.37Å; L355-L458 HydrophobicContact CG-CD2 4.28Å; K356-L458 HydrophobicContact CG-CD1 3.91Å; L359-L458 HydrophobicContact CD1-CD2 3.59Å; L454-L458 HydrophobicContact CD1-CD1 4.46Å; L454-L458 HydrophobicContact CG-CD1 4.22Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 2.7Å; P455-L458 PolarHBondContact O-N 2.96Å; L458-H460 VanDerWaalsContact C-N 3.32Å; L458-W461 PolarHBondContact O-N 2.87Å; L458-D462 WeakPolarHBondContact O-CB 3.2Å; L458-D462 PolarHBondContact O-N 2.91Å
459L80.6Confident74.3Confident12 Ų1250.9 Ų50.96%0.06323%0.225CC..Hα-helixtrans-71.2-22.8171.1-69173.3000113.6I337 Q340 M344 P455 W457 R463I337-L459 HydrophobicContact CG2-CD1 4.16Å; Q340-L459 HydrophobicContact CB-CD1 3.78Å; Q340-L459 HydrophobicContact CB-CD2 3.84Å; M344-L459 HydrophobicContact CB-CD2 4.48Å; M344-L459 HydrophobicContact SD-CD2 3.92Å; P455-L459 WeakPolarHBondContact O-CB 3.27Å; P455-L459 WeakPolarHBondContact O-CG 3.34Å; P455-L459 PolarHBondContact O-N 3.2Å; W457-L459 VanDerWaalsContact C-N 3.33Å; W457-L459 PolarHBondContact O-N 2.88Å; L459-R463 WeakPolarHBondContact O-CD 3.15Å; L459-R463 VanDerWaalsContact O-CG 3.22Å; L459-R463 WeakPolarHBondContact O-CG 3.26Å; L459-R463 PolarHBondContact O-N 3.4Å
460H82.2Confident72.2Confident75 Ų7554.8 Ų54.835%0.34724%0.242SC..Hα-helixtrans-73.9-45.2170.1178.968.8000110.5F372 R456 W457 L458 D462 R463 I464F372-H460 HydrophobicContact CD2-CB 4.16Å; F372-H460 AromaticContact CD2-CD2 3.68Å; F372-H460 AromaticContact CD2-CG 3.92Å; F372-H460 HydrophobicContact CE2-CB 3.73Å; F372-H460 AromaticContact CE2-CG 3.85Å; F372-H460 HydrophobicContact CZ-CB 4.5Å; R456-H460 WeakPolarHBondContact O-CB 3.44Å; R456-H460 PolarHBondContact O-N 2.98Å; W457-H460 CarbonylContact O-C 3.6Å; W457-H460 WeakPolarHBondContact O-CA 3.28Å; W457-H460 WeakPolarHBondContact O-CB 3.35Å; W457-H460 PolarHBondContact O-N 3.45Å; L458-H460 VanDerWaalsContact C-N 3.32Å; H460-D462 PolarHBondContact O-N 3.45Å; H460-R463 WeakPolarHBondContact O-CB 3.25Å; H460-R463 PolarHBondContact O-N 3.01Å; H460-R463 VanDerWaalsContact O-N 3.09Å; H460-I464 WeakPolarHBondContact O-CG1 3.47Å; H460-I464 PolarHBondContact O-N 2.59Å
461W76.4Confident69.7Low46 Ų4659.8 Ų59.817%0.17427%0.27CS..Hα-helixtrans-57.2-46.7170.6-92.6101.8000112.3L359 D368 W457 L458 R463 I464 I465 Y488L359-W461 HydrophobicContact CD1-CB 4.14Å; L359-W461 HydrophobicContact CD1-CG 4.05Å; L359-W461 HydrophobicContact CD2-CD2 4.27Å; D368-W461 HydrophobicContact CB-CZ2 4.5Å; D368-W461 PolarHBondContact OD2-NE1 3.34Å; W457-W461 AromaticContact CD1-CD1 3.9Å; W457-W461 AromaticContact CD2-CD1 3.8Å; W457-W461 AromaticContact CE2-CD1 3.38Å; W457-W461 AromaticContact CE2-NE1 3.28Å; W457-W461 VanDerWaalsContact CE2-NE1 3.28Å; W457-W461 AromaticContact CZ2-CD1 3.74Å; W457-W461 AromaticContact CZ2-NE1 3.35Å; W457-W461 VanDerWaalsContact CZ2-NE1 3.35Å; W457-W461 AromaticContact NE1-CD1 3.41Å; W457-W461 AromaticContact NE1-NE1 3.21Å; W457-W461 PolarHBondContact O-N 3.29Å; L458-W461 PolarHBondContact O-N 2.87Å; W461-R463 VanDerWaalsContact C-N 3.25Å; W461-R463 PolarHBondContact O-N 3.14Å; W461-I464 CarbonylContact O-C 3.5Å; W461-I464 WeakPolarHBondContact O-CB 3.49Å; W461-I464 PolarHBondContact O-N 2.92Å; W461-I465 HydrophobicContact CB-CD1 4.18Å; W461-I465 HydrophobicContact CE3-CD1 3.83Å; W461-I465 HydrophobicContact CE3-CG1 4.1Å; W461-I465 VanDerWaalsContact O-CB 3.25Å; W461-I465 WeakPolarHBondContact O-CB 3.36Å; W461-I465 WeakPolarHBondContact O-CD1 3.45Å; W461-I465 VanDerWaalsContact O-CG1 3.23Å; W461-I465 WeakPolarHBondContact O-CG1 3.49Å; W461-I465 PolarHBondContact O-N 2.99Å; W461-Y488 WeakPolarHBondContact CZ3-OH 3.49Å
462D72.3Confident67.7Low6 Ų661.6 Ų61.63%0.03229%0.29CS..Hα-helixtrans-64.5-25.7175.6168.977.5000113.3M344 Q348 L458 H460 K466M344-D462 HydrophobicContact CG-CB 3.98Å; M344-D462 HydrophobicContact SD-CB 3.3Å; M344-D462 WeakPolarHBondContact SD-CB 3.4Å; Q348-D462 PolarHBondContact NE2-OD1 2.64Å; L458-D462 WeakPolarHBondContact O-CB 3.2Å; L458-D462 PolarHBondContact O-N 2.91Å; H460-D462 PolarHBondContact O-N 3.45Å; D462-K466 WeakPolarHBondContact O-CB 3.35Å; D462-K466 WeakPolarHBondContact O-CD 3.49Å; D462-K466 WeakPolarHBondContact O-CG 3.37Å; D462-K466 PolarHBondContact O-N 3.26Å; D462-K466 IonicContact OD1-NZ 2.92Å; D462-K466 WeakPolarHBondContact OD2-CE 3.46Å; D462-K466 IonicContact OD2-NZ 3.99Å; D462-K466 PolarHBondContact OD2-NZ 3.45Å
463R73.3Confident65.4Low161 Ų16164.1 Ų64.161%0.60831%0.308SS*.Hα-helixtrans-73.7-33.9169.4-71.9166.9-171.3-150.90.6113L459 H460 W461L459-R463 WeakPolarHBondContact O-CD 3.15Å; L459-R463 VanDerWaalsContact O-CG 3.22Å; L459-R463 WeakPolarHBondContact O-CG 3.26Å; L459-R463 PolarHBondContact O-N 3.4Å; H460-R463 WeakPolarHBondContact O-CB 3.25Å; H460-R463 PolarHBondContact O-N 3.01Å; H460-R463 VanDerWaalsContact O-N 3.09Å; W461-R463 VanDerWaalsContact C-N 3.25Å; W461-R463 PolarHBondContact O-N 3.14Å
464I71.5Confident62.8Low50 Ų5068.4 Ų68.426%0.25633%0.334SS..Hα-helixtrans-70-47.2172.2-65.9165.1000109.9H460 W461 K466H460-I464 WeakPolarHBondContact O-CG1 3.47Å; H460-I464 PolarHBondContact O-N 2.59Å; W461-I464 CarbonylContact O-C 3.5Å; W461-I464 WeakPolarHBondContact O-CB 3.49Å; W461-I464 PolarHBondContact O-N 2.92Å; I464-K466 PolarHBondContact O-N 3.05Å
465I66Low60.3Low7 Ų775 Ų754%0.03637%0.369CS..Hα-helixtrans-70.3-25.7-178.5-70.1162000112.1W461 N467 C468 F470 Y488W461-I465 HydrophobicContact CB-CD1 4.18Å; W461-I465 HydrophobicContact CE3-CD1 3.83Å; W461-I465 HydrophobicContact CE3-CG1 4.1Å; W461-I465 VanDerWaalsContact O-CB 3.25Å; W461-I465 WeakPolarHBondContact O-CB 3.36Å; W461-I465 WeakPolarHBondContact O-CD1 3.45Å; W461-I465 VanDerWaalsContact O-CG1 3.23Å; W461-I465 WeakPolarHBondContact O-CG1 3.49Å; W461-I465 PolarHBondContact O-N 2.99Å; I465-N467 PolarHBondContact O-N 3.4Å; I465-C468 CarbonylContact O-C 3.5Å; I465-C468 WeakPolarHBondContact O-CA 3.42Å; I465-C468 PolarHBondContact O-N 2.93Å; I465-F470 HydrophobicContact CD1-CE2 4.38Å; I465-F470 HydrophobicContact CD1-CZ 3.93Å; I465-F470 HydrophobicContact CG1-CZ 4.26Å; I465-F470 HydrophobicContact CG2-CD2 4.24Å; I465-F470 HydrophobicContact CG2-CE2 3.54Å; I465-F470 HydrophobicContact CG2-CZ 3.81Å; I465-Y488 VanDerWaalsContact CG1-OH 3.29Å; I465-Y488 WeakPolarHBondContact CG1-OH 3.27Å
466K56.8Low57.8Low121 Ų12180.8 Ų80.853%0.52640%0.399SS..THydrogen-bonded Turntrans-59.9-14.8176.9-95.4162.9-179.6158.50115.1D462 I464D462-K466 WeakPolarHBondContact O-CB 3.35Å; D462-K466 WeakPolarHBondContact O-CD 3.49Å; D462-K466 WeakPolarHBondContact O-CG 3.37Å; D462-K466 PolarHBondContact O-N 3.26Å; D462-K466 IonicContact OD1-NZ 2.92Å; D462-K466 WeakPolarHBondContact OD2-CE 3.46Å; D462-K466 IonicContact OD2-NZ 3.99Å; D462-K466 PolarHBondContact OD2-NZ 3.45Å; I464-K466 PolarHBondContact O-N 3.05Å
467N49.7Very low55.4Low111 Ų11184.6 Ų84.659%0.59443%0.425SS*.THydrogen-bonded Turntrans-84.5-22.5168.8-61.9-46.3000112.8I465 S491I465-N467 PolarHBondContact O-N 3.4Å; N467-S491 WeakPolarHBondContact O-CB 3.36Å; N467-S491 PolarHBondContact O-OG 3.46Å
468C41Very low52.9Low24 Ų2491.6 Ų91.616%0.16246%0.463CS..SBendtrans-105.4135.5-174-60.60000111.8I465I465-C468 CarbonylContact O-C 3.5Å; I465-C468 WeakPolarHBondContact O-CA 3.42Å; I465-C468 PolarHBondContact O-N 2.93Å
469Q37.6Very low50.6Low176 Ų17699 Ų9982%0.82250%0.502SS*.  trans-92.1124171.4-69.1179.6-10.200110.3L471Q469-L471 PolarHBondContact O-N 2.9Å
470F43.1Very low48.5Very low82 Ų82104.6 Ų104.636%0.3653%0.532SS..  trans-73.5105.7165.4-68.9-55.7000109.4I465 P472 L486I465-F470 HydrophobicContact CD1-CE2 4.38Å; I465-F470 HydrophobicContact CD1-CZ 3.93Å; I465-F470 HydrophobicContact CG1-CZ 4.26Å; I465-F470 HydrophobicContact CG2-CD2 4.24Å; I465-F470 HydrophobicContact CG2-CE2 3.54Å; I465-F470 HydrophobicContact CG2-CZ 3.81Å; F470-P472 WeakPolarHBondContact O-CD 3.48Å; F470-L486 HydrophobicContact CB-CD2 4.14Å; F470-L486 HydrophobicContact CD1-CD2 3.69Å; F470-L486 HydrophobicContact CE1-CD2 4.44Å; F470-L486 HydrophobicContact CG-CD2 4.21Å
471L33.4Very low46Very low134 Ų134106.3 Ų106.370%0.70254%0.544SS*.  trans-84.7118.8168.8-71.1174000109.5Q469 N473Q469-L471 PolarHBondContact O-N 2.9Å; L471-N473 PolarHBondContact O-N 3.2Å
472P37.9Very low44Very low107 Ų107110.9 Ų110.970%0.69557%0.572SS**  trans-66.1128.8168.627.9-32.6000108.9F470 N474F470-P472 WeakPolarHBondContact O-CD 3.48Å; P472-N474 VanDerWaalsContact C-N 3.34Å; P472-N474 PolarHBondContact O-N 3.14Å
473N35.1Very low42.2Very low116 Ų116120.4 Ų120.462%0.6261%0.609SS**  trans-69.190.2177.117919.7000110.3L471 N475L471-N473 PolarHBondContact O-N 3.2Å; N473-N475 PolarHBondContact O-N 2.95Å; N473-N475 WeakPolarHBondContact OD1-CB 3.23Å; N473-N475 PolarHBondContact OD1-N 3.5Å
474N33.4Very low40.2Very low125 Ų125117 Ų11767%0.66861%0.609SS**  trans-87.620.2-177.9-155.912.5000113.3P472 N476P472-N474 VanDerWaalsContact C-N 3.34Å; P472-N474 PolarHBondContact O-N 3.14Å; N474-N476 PolarHBondContact O-N 3.38Å; N474-N476 PolarHBondContact OD1-ND2 3.45Å
475N34.1Very low38.4Very low137 Ų137120.5 Ų120.573%0.73363%0.629SS**  trans-73.766.3171.3-72.5-9.6000110.8N473 N477N473-N475 PolarHBondContact O-N 2.95Å; N473-N475 WeakPolarHBondContact OD1-CB 3.23Å; N473-N475 PolarHBondContact OD1-N 3.5Å; N475-N477 PolarHBondContact O-N 3.35Å
476N31.2Very low37Very low132 Ų132125 Ų12571%0.70665%0.652SS**  trans-69.667.4166.7-79.8-66.7000110.2N474N474-N476 PolarHBondContact O-N 3.38Å; N474-N476 PolarHBondContact OD1-ND2 3.45Å
477N34.4Very low36.1Very low154 Ų154127.6 Ų127.682%0.82466%0.664SS**  trans-160.958.6172.4-97.8-28000111.3N475N475-N477 PolarHBondContact O-N 3.35Å
478D36.3Very low35.4Very low147 Ų147128.1 Ų128.179%0.78666%0.659SS**  trans-166.7154.4131.7-109.3-31.8000112.6N480D478-N480 VanDerWaalsContact C-N 3.26Å; D478-N480 PolarHBondContact O-N 3.15Å
479N35.3Very low35.1Very low155 Ų155131.7 Ų131.783%0.82968%0.675SS**  trans-85.234.6-164.8-77.8-86.7000115.3
480N36.6Very low34.7Very low130 Ų130126.7 Ų126.770%0.69566%0.658SS**  trans-112.3128.3176.8-70.1-36.9000111.2D478 D482D478-N480 VanDerWaalsContact C-N 3.26Å; D478-N480 PolarHBondContact O-N 3.15Å; N480-D482 VanDerWaalsContact C-N 3.29Å; N480-D482 PolarHBondContact O-N 3Å
481N30.3Very low34.2Very low111 Ų111124.9 Ų124.959%0.59466%0.655SS**  trans-81.269.3178.2-73.671000111.2R897N481-R897 VanDerWaalsContact CG-NH2 3.27Å; N481-R897 PolarHBondContact OD1-NH2 3.28Å
482D34.6Very low34.3Very low143 Ų143125 Ų12577%0.76566%0.657SS**  trans-87.8123.8167.2-68.1-27.5000109.5N480 S484N480-D482 VanDerWaalsContact C-N 3.29Å; N480-D482 PolarHBondContact O-N 3Å; D482-S484 PolarHBondContact O-N 2.79Å
483Y34.6Very low34Very low205 Ų205122.3 Ų122.380%0.80464%0.64SS**  trans-72.997.6-176.5-75.3-83.9000111.6N485Y483-N485 PolarHBondContact O-N 3.23Å
484S30.7Very low33.8Very low89 Ų89120.1 Ų120.162%0.62263%0.634SS**  trans35.161.5146.461.10000117.3D482 L486D482-S484 PolarHBondContact O-N 2.79Å; S484-L486 PolarHBondContact O-N 3.38Å
485N35Very low33.8Very low125 Ų125118.7 Ų118.767%0.66863%0.634SS**  trans-64.499.4161.2-80.6-48.9000109.5Y483 F487Y483-N485 PolarHBondContact O-N 3.23Å; N485-F487 HydrophobicContact CB-CE2 4.22Å; N485-F487 HydrophobicContact CB-CZ 4.24Å; N485-F487 WeakPolarHBondContact O-CD2 3.36Å; N485-F487 PolarHBondContact O-N 2.98Å
486L35.7Very low33.8Very low100 Ų100118.6 Ų118.652%0.52463%0.631SS.*  trans-75.2113.3165.5-86.8104.3000109.3F470 S484F470-L486 HydrophobicContact CB-CD2 4.14Å; F470-L486 HydrophobicContact CD1-CD2 3.69Å; F470-L486 HydrophobicContact CE1-CD2 4.44Å; F470-L486 HydrophobicContact CG-CD2 4.21Å; S484-L486 PolarHBondContact O-N 3.38Å
487F37.2Very low34.2Very low177 Ų177118.1 Ų118.178%0.77663%0.628SS**  trans-77.9127.7178.9-66.6-85.4000111.4N485N485-F487 HydrophobicContact CB-CE2 4.22Å; N485-F487 HydrophobicContact CB-CZ 4.24Å; N485-F487 WeakPolarHBondContact O-CD2 3.36Å; N485-F487 PolarHBondContact O-N 2.98Å
488Y36.6Very low34.1Very low121 Ų121119.2 Ų119.248%0.47563%0.627SS.*  trans-82.1121.4171.9-114-94.9000110.8W461 I465W461-Y488 WeakPolarHBondContact CZ3-OH 3.49Å; I465-Y488 VanDerWaalsContact CG1-OH 3.29Å; I465-Y488 WeakPolarHBondContact CG1-OH 3.27Å
489I32.9Very low33.8Very low100 Ų100118.8 Ų118.851%0.51363%0.625SS.*  trans-127.8114.9165.4-57.7179.6000107.7S491 C493I489-S491 PolarHBondContact O-N 3.04Å; I489-C493 HydrophobicContact CG2-CB 4.2Å
490P30.6Very low33.5Very low71 Ų71118.1 Ų118.146%0.46162%0.622SS.*  trans-61.3131170.9-21.433.4000110.2N492 C493P490-N492 PolarHBondContact O-N 3Å; P490-N492 VanDerWaalsContact O-N 3.1Å; P490-C493 VanDerWaalsContact O-CB 3.29Å; P490-C493 WeakPolarHBondContact O-CB 3.44Å; P490-C493 PolarHBondContact O-N 2.88Å
491S33Very low33.4Very low43 Ų43120 Ų12030%0.30163%0.632SS.*G310 helixtrans-60.9-21.6-176.948.30000114.8N467 I489 C493 S494N467-S491 WeakPolarHBondContact O-CB 3.36Å; N467-S491 PolarHBondContact O-OG 3.46Å; I489-S491 PolarHBondContact O-N 3.04Å; S491-C493 PolarHBondContact O-N 3.03Å; S491-C493 VanDerWaalsContact O-N 3.07Å; S491-S494 WeakPolarHBondContact O-CB 3.38Å; S491-S494 PolarHBondContact O-N 2.89Å; S491-S494 PolarHBondContact O-OG 3.16Å
492N34.7Very low33.4Very low137 Ų137120.8 Ų120.873%0.73364%0.636SS**G310 helixtrans-61.4-12.6170.4-65.25.8000113.2P490P490-N492 PolarHBondContact O-N 3Å; P490-N492 VanDerWaalsContact O-N 3.1Å
493C30.7Very low33.3Very low51 Ų51121 Ų12135%0.34564%0.637SS.*G310 helixtrans-91.8-12.3173.4-61.70000113.8I489 P490 S491 S495 I496I489-C493 HydrophobicContact CG2-CB 4.2Å; P490-C493 VanDerWaalsContact O-CB 3.29Å; P490-C493 WeakPolarHBondContact O-CB 3.44Å; P490-C493 PolarHBondContact O-N 2.88Å; S491-C493 PolarHBondContact O-N 3.03Å; S491-C493 VanDerWaalsContact O-N 3.07Å; C493-S495 PolarHBondContact O-N 2.74Å; C493-I496 WeakPolarHBondContact O-CB 3.46Å; C493-I496 PolarHBondContact O-N 3.26Å
494S32.3Very low33.3Very low70 Ų70117.7 Ų117.749%0.4963%0.633SS.*Hα-helixtrans-62.7-30.1-173.2-59.90000113.4S491 I496S491-S494 WeakPolarHBondContact O-CB 3.38Å; S491-S494 PolarHBondContact O-N 2.89Å; S491-S494 PolarHBondContact O-OG 3.16Å; S494-I496 VanDerWaalsContact C-N 3.26Å; S494-I496 PolarHBondContact O-N 3.01Å
495S32.9Very low33.5Very low95 Ų95119.5 Ų119.566%0.66464%0.636SS**Hα-helixtrans-71.7-14175.3520000114.3C493C493-S495 PolarHBondContact O-N 2.74Å
496I35Very low33.6Very low134 Ų134120.4 Ų120.469%0.68764%0.641SS**Hα-helixtrans-93.4-24.1-176.7-60.2175.5000111.5C493 S494C493-I496 WeakPolarHBondContact O-CB 3.46Å; C493-I496 PolarHBondContact O-N 3.26Å; S494-I496 VanDerWaalsContact C-N 3.26Å; S494-I496 PolarHBondContact O-N 3.01Å
497I37.9Very low33.5Very low123 Ų123122.1 Ų122.163%0.63165%0.65SS**Hα-helixtrans-86.3-26.2-176.3-64.5175.3000112.2N499I497-N499 PolarHBondContact O-N 2.76Å
498H33.4Very low33.5Very low176 Ų176120.4 Ų120.482%0.81565%0.649SS**SBendtrans-85.62.7-171-119.1-55.2000116.2
499N29Very low33.5Very low139 Ų139122.8 Ų122.874%0.74367%0.665SS**SBendtrans-127.656.2-171-153.89.8000113.4I497I497-N499 PolarHBondContact O-N 2.76Å
500N30Very low33.6Very low141 Ų141129.4 Ų129.475%0.75469%0.685SS**  trans-165.573.4159.9-108.8-38.3000111.8
501N33.8Very low33.7Very low168 Ų168132.3 Ų132.390%0.89870%0.697SS**  trans-148.9115.2152.3-107.1-24.4000107.7
502N30.8Very low33.7Very low128 Ų128138.1 Ų138.168%0.68472%0.717SS**  trans-82.8164.8-172-66.3-39.6000112.2
503N32.6Very low33.6Very low149 Ų149141.7 Ų141.780%0.79772%0.721SS**  trans67.4101.8161.1-51.9-16.5000113.9
504N34.1Very low33.6Very low135 Ų135150.9 Ų150.972%0.72275%0.749SS**  -162.6152.662.3-81.6-13.8000113.1
505D35.8Very low33.4Very low126 Ų126156.4 Ų156.467%0.67477%0.767SS**  trans35.7105.6138.5-40.2-27.1000119.2
506N35.5Very low33.3Very low145 Ų145160.1 Ų160.178%0.77577%0.773SS**  165.9108.7103.2-85.2-71.9000112
507D35Very low33.1Very low135 Ų135163.4 Ų163.472%0.72278%0.782SS**  trans35146.1135.4-56.1-5.1000123.9
508N36.2Very low32.7Very low141 Ų141163.3 Ų163.375%0.75479%0.793SS**  trans79.3101.8168-43-69.9000114.7
509E36.5Very low32.3Very low171 Ų171160 Ų16080%0.79979%0.789SS**  68.288.568.8-168-178-160.100112.8
510Y35.3Very low32.3Very low239 Ų239157.8 Ų157.894%0.93779%0.785SS**  trans-154.7135.2133.7-110.1-74.5000109.7
511D33.8Very low32.4Very low132 Ų132158.7 Ų158.771%0.70679%0.788SS**  trans-118.4165.5-170.1178.234.4000111.7
512K33.4Very low32.2Very low165 Ų165159.8 Ų159.872%0.71778%0.781SS**  trans81.7158.7171.7-63166.1-176162.20118.9
513Y30.9Very low32.2Very low212 Ų212159.5 Ų159.583%0.83178%0.784SS**  trans70.593.8178.4-64-85.5000116.6
514W31.5Very low32Very low245 Ų245159 Ų15993%0.92878%0.777SS**  -170.885.3123.4-94.5112000110.9
515H28.9Very low31.8Very low186 Ų186158.5 Ų158.586%0.86178%0.784SS**  trans-136.6153164.7-96.4-56.4000109
516H29Very low31.6Very low173 Ų173157.2 Ų157.280%0.80179%0.785SS**  trans78.3142.6-172.2-67.8-88.4000117.8
517K31.6Very low31.5Very low202 Ų202158 Ų15888%0.87879%0.789SS**  trans64.3137.3-169.7-63.5-178.2176.7-179.90113.8
518S29.1Very low31.4Very low122 Ų122158.7 Ų158.785%0.85379%0.79SS**  cis-124.7141.29.3-65.80000113.1
519S26.2Very low31.2Very low105 Ų105161.6 Ų161.673%0.73480%0.799SS**  trans-124.5163.3165.4540000109.4
520S28Very low31.2Very low93 Ų93161.2 Ų161.265%0.6580%0.797SS**  trans73.5167.6177.979.50000117.5
521I32Very low31.2Very low160 Ų160157.8 Ų157.882%0.82180%0.795SS**  trans79.486.7-161.3-52.9172.6000109.7
522Y29.6Very low31.4Very low191 Ų191158.3 Ų158.375%0.74980%0.796SS**  cis62.5146.545.8-58.1-71000113.2
523T30.9Very low31.7Very low122 Ų122154.5 Ų154.575%0.74880%0.803SS**  cis-129.7171.712.345.60000114.1
524E29.2Very low32Very low139 Ų139152 Ų15265%0.6580%0.799SS**  trans-55.8163.3164.1-57.9100.6139.700115.2
525S29.3Very low32.3Very low125 Ų125146.6 Ų146.687%0.87479%0.788SS**  trans-145.371.5153.3-79.50000109.4
526S31.6Very low32.8Very low98 Ų98144.1 Ų144.169%0.68578%0.78SS**  trans-122.792.9173.356.30000109.5
527N33Very low33.3Very low162 Ų162141.6 Ų141.687%0.86678%0.777SS**  trans-90.1128.6178-71.912.6000110.2
528M33.4Very low33.7Very low150 Ų150137.9 Ų137.974%0.73977%0.766SS**  trans-77.9142.5163.5-63.9170.467.100109
529E32.8Very low34.3Very low201 Ų201139 Ų13994%0.93976%0.757SS**  trans-114.489.2150.7-76.4-175.616700107.7
530Q35.8Very low35.1Very low163 Ų163140.9 Ų140.976%0.76276%0.755SS**  trans-122.7114.4153.4-82.8-171.5-40.300105.4
531D36Very low35.8Very low167 Ų167142 Ų14289%0.89375%0.753SS**  trans-132.8142.8173-136.3-27000109.9
532I38.2Very low36.3Very low144 Ų144140.3 Ų140.374%0.73875%0.746SS**  trans-113.4107.1-163.6-63.5174.8000109.7H534I532-H534 PolarHBondContact O-N 3.02Å
533G38.3Very low36.7Very low84 Ų84137.1 Ų137.187%0.86674%0.742SS**  trans-89.289.7173.500000112.5
534H38.5Very low37Very low161 Ų161136.2 Ų136.275%0.74574%0.736SS**  trans-102.6123.7164.6-112.8-80.3000109.1I532I532-H534 PolarHBondContact O-N 3.02Å
535D37.5Very low37.4Very low131 Ų131135.8 Ų135.870%0.70174%0.743SS**  175.8131119-92-12.2000116.1
536I38.8Very low37.7Very low134 Ų134135 Ų13569%0.68773%0.734SS**  trans48.1120.6134.5-44.1165000120.3
537V40Very low38Very low120 Ų120137.3 Ų137.373%0.72774%0.736SS**  173.5118.7116.4158.70000110.4
538D39.4Very low38.1Very low123 Ų123135.4 Ų135.466%0.65873%0.731SS**  trans25.1146.1145.4-45.8-31.8000122.1
539H42Very low38.1Very low145 Ų145134 Ų13467%0.67173%0.731SS**  cis-164.3157.138.4-100.7-56.4000112.9
540H43.6Very low38.2Very low146 Ų146129.8 Ų129.868%0.67672%0.719SS**  trans43.2148.3140.9-62.4-43.5000122.7
541N41.4Very low38.2Very low117 Ų117127.5 Ų127.563%0.62672%0.717SS**  cis-169.9152.7-5.8-108.5-1.5000110.1
542N42.3Very low38.2Very low123 Ų123125 Ų12566%0.65871%0.708SS**  trans58.4162.5145.7-67.449.1000119.2
543D39.5Very low38.1Very low124 Ų124123.5 Ų123.566%0.66371%0.705SS**  cis-156.2129.7-8.1-113.2-35.7000106.5
544T37.2Very low37.8Very low103 Ų103125.5 Ų125.563%0.63270%0.701SS**  95.3107.484-71.80000116.5
545T36Very low37.7Very low131 Ų131124.2 Ų124.280%0.80470%0.704SS**  trans66.5164.1159.4600000118.1
546T36.6Very low37.4Very low109 Ų109124 Ų12467%0.66971%0.708SS**  cis-157.6140.626.6-51.50000113.9
547I37.2Very low37.4Very low145 Ų145122.4 Ų122.474%0.74472%0.715SS**  trans9.6138.2144.1-31.1160.3000117.8
548T35.1Very low37.1Very low123 Ų123123.7 Ų123.776%0.75572%0.718SS**  -177.1157.678.9-49.90000115
549T33.9Very low37.2Very low119 Ų119124.7 Ų124.773%0.7373%0.728SS**  trans-52.3177.2174.99.40000117.5
550T35.8Very low36.9Very low114 Ų114124.7 Ų124.770%0.69973%0.728SS**  cis-167.6157.647.3-24.20000114.8
551T35.8Very low36.6Very low115 Ų115126.5 Ų126.571%0.70673%0.73SS**  trans-2.9169.1158.360.40000122.7
552T35.2Very low36.4Very low115 Ų115129.5 Ų129.571%0.70674%0.741SS**  cis177.5159.443.3-2.70000107.4
553T35.6Very low35.9Very low111 Ų111131 Ų13168%0.68174%0.743SS**  cis-174.3156.4-12.414.60000111.2
554T33Very low35.7Very low127 Ų127131.5 Ų131.578%0.77976%0.756SS**  trans62.7145155.850.70000120
555T35.8Very low35.4Very low133 Ų133133.2 Ų133.282%0.81676%0.756SS**  -158.9165.456.8-52.50000113.2
556T31.9Very low35.8Very low126 Ų126137.8 Ų137.877%0.77376%0.76SS**  trans-98.7153.8-167.551.10000117
557A38.3Very low35.7Very low102 Ų102138.5 Ų138.584%0.84376%0.76SS**  trans-160.9149.3146.300000111.7
558N32.8Very low35.7Very low147 Ų147139.3 Ų139.379%0.78677%0.766SS**  trans-111.6153.9-178.5-52.2-10.2000111.7
559V42.1Very low35.8Very low143 Ų143138.7 Ų138.787%0.86776%0.762SS**  trans-148141.4139.6178.80000108.1
560E35.3Very low36Very low145 Ų145141.7 Ų141.768%0.67877%0.765SS**  trans-93168.7179.3-57.4135.7138.200112
561Y38.3Very low36.3Very low184 Ų184144.2 Ų144.272%0.72277%0.769SS**  175.3129.5107.4-107.7-91.6000114.6
562E37.1Very low36.4Very low181 Ų181145.5 Ų145.585%0.84677%0.771SS**  trans66.8155.9151-88.3167.9-15800123.7
563E31.5Very low36.9Very low153 Ų153149.2 Ų149.272%0.71578%0.78SS**  trans-153.4144.5-155.2168.7-178.3-159.800108.5
564C34.5Very low37.1Very low136 Ų136149.8 Ų149.892%0.91978%0.779SS**  trans-151.498.6164.9-95.30000110.6
565Q32.4Very low37.5Very low138 Ų138150.6 Ų150.665%0.64578%0.779SS**  trans-90.9152.5160.8-66.1-168.1600110.5N567Q565-N567 PolarHBondContact OE1-ND2 3.16Å
566Y43.1Very low38Very low228 Ų228151.1 Ų151.189%0.89478%0.777SS**  trans-137.2112.4158.8-125.2-93.3000107.6
567N34Very low38.5Very low124 Ų124152.8 Ų152.866%0.66378%0.781SS**  trans-112.4135170.5-71.1-45.9000107.5Q565Q565-N567 PolarHBondContact OE1-ND2 3.16Å
568D38.5Very low38.4Very low161 Ų161151.2 Ų151.286%0.86177%0.774SS**  trans-109.9141.3161-110.7-39.5000108.5
569V36.1Very low38.6Very low111 Ų111152.2 Ų152.267%0.67378%0.78SS**  trans-118.8146.2-171.3171.40000108.1
570F39.2Very low38.3Very low181 Ų181151.4 Ų151.479%0.79478%0.775SS**  trans-167.1122.6139.2-101.7-63.1000113.8
571E40.9Very low38.3Very low167 Ų167150.6 Ų150.678%0.7878%0.78SS**  trans59119.9149.3-79.5158.9-162.600122.7
572D38Very low38Very low142 Ų142148.3 Ų148.376%0.75978%0.78SS**  trans-76.8155.4161.4-60.8-66.4000112.4
573H47.3Very low37.6Very low193 Ų193144.4 Ų144.489%0.89477%0.772SS**  trans-155.3147.1136.8-106.7-58.3000110.3
574N39.3Very low37.6Very low124 Ų124145.9 Ų145.966%0.66378%0.778SS**  trans-104.4-178.2-166.9-61-51.1000113.7
575D41.4Very low37.8Very low144 Ų144147.9 Ų147.977%0.7777%0.768SS**  trans108.1141.6142.1-55.6-40.2000119.9
576D45.7Very low37.9Very low144 Ų144146.3 Ų146.377%0.7777%0.772SS**  trans65.9122.8166.5-67.5-13000124.4
577D41.9Very low37.4Very low161 Ų161141.7 Ų141.786%0.86176%0.762SS**  trans63.9140.3136.9-75-14.5000124
578G36.3Very low37.6Very low68 Ų68141.7 Ų141.770%0.70176%0.758SS**  129.582.2128.700000118.3
579D37.7Very low37.6Very low168 Ų168142.9 Ų142.990%0.89876%0.756SS**  trans57.1151146.7-71.5-29.1000123
580T35Very low37.7Very low127 Ų127142.1 Ų142.178%0.77976%0.756SS**  trans-91.4176.2-175.642.50000113.4
581V36Very low37.7Very low128 Ų128139.4 Ų139.478%0.77675%0.748SS**  trans91.2146.9162.7-1660000116.6
582N33Very low37.8Very low136 Ų136140.7 Ų140.773%0.72775%0.751SS**  trans75.296.8169.6-76.8-39000120.5
583C27.2Very low38Very low98 Ų98143 Ų14366%0.66275%0.754SS**  53126.3111.4-65.30000121.7Y585C583-Y585 PolarHBondContact O-N 2.98Å
584H32.6Very low37.3Very low185 Ų185139.6 Ų139.686%0.85674%0.742SS**SBendtrans72.3-10.5138.9-124.2-72.7000120.6
585Y38.5Very low37Very low177 Ų177142.1 Ų142.169%0.69476%0.756SS**  trans-86.9-13.9-170.8-102.5-83.8000117.6C583 L587 Q588C583-Y585 PolarHBondContact O-N 2.98Å; Y585-L587 VanDerWaalsContact C-N 3.27Å; Y585-L587 PolarHBondContact O-N 2.83Å; Y585-Q588 VanDerWaalsContact CE1-OE1 3.26Å; Y585-Q588 PolarHBondContact O-N 3.35Å
586S34.5Very low37.1Very low106 Ų106140.1 Ų140.174%0.74175%0.745SS**Hα-helixtrans-65.3-23.1-172.4490000114.9Q588S586-Q588 VanDerWaalsContact C-N 3.34Å
587L31.9Very low36.7Very low131 Ų131141.5 Ų141.569%0.68675%0.747SS**Hα-helixtrans-76-18.8178.4-122.1161.6000113.6Y585Y585-L587 VanDerWaalsContact C-N 3.27Å; Y585-L587 PolarHBondContact O-N 2.83Å
588Q39.1Very low36.9Very low124 Ų124142.6 Ų142.658%0.57974%0.744SS**Hα-helixtrans-90-22-174.3-132.1-179.926.600113.6Y585 S586Y585-Q588 VanDerWaalsContact CE1-OE1 3.26Å; Y585-Q588 PolarHBondContact O-N 3.35Å; S586-Q588 VanDerWaalsContact C-N 3.34Å
589K39Very low37.3Very low185 Ų185141.1 Ų141.180%0.80472%0.723SS**Hα-helixtrans-78.7-31.6-175.1-138.1171.4-174.3177.70112.6I591K589-I591 PolarHBondContact O-N 2.83Å
590S36.8Very low37.1Very low96 Ų96140.8 Ų140.867%0.67171%0.709SS**G310 helixtrans-64.3-25.3177-45.40000113.7K592S590-K592 PolarHBondContact O-N 3.36Å
591I39Very low37.5Very low124 Ų124140 Ų14064%0.63670%0.7SS**G310 helixtrans-71.4-12.7-173.2-61.9175.2000112.6K589K589-I591 PolarHBondContact O-N 2.83Å
592K44Very low38.4Very low193 Ų193141.1 Ų141.184%0.83970%0.695SS**G310 helixtrans-104.98.6-167.9-95.4-173.3174.4-177.40117.1S590S590-K592 PolarHBondContact O-N 3.36Å
593K41.9Very low39.2Very low191 Ų191141 Ų14183%0.8369%0.689SS**SBendtrans-1348.2-168.7-136.1-172.9178.7-1740119.3
594L33Very low39.9Very low121 Ų121139.4 Ų139.463%0.63467%0.674SS**  trans-132.8108170.5-78.895.5000112.5D596L594-D596 PolarHBondContact O-N 2.92Å
595N33.5Very low40.5Very low178 Ų178135.7 Ų135.795%0.95265%0.653SS**  trans-85.287.3165.1-77.7-10000109.1
596D42.5Very low41.2Very low101 Ų101131.3 Ų131.354%0.5464%0.642SS.*  trans-155.697.9170.5-139.8-23.6000110.8L594 K598 S599 W600L594-D596 PolarHBondContact O-N 2.92Å; D596-K598 PolarHBondContact O-N 3.41Å; D596-S599 PolarHBondContact O-N 2.72Å; D596-S599 PolarHBondContact O-OG 2.87Å; D596-W600 PolarHBondContact O-N 2.95Å
597E38.5Very low42Very low173 Ų173131.4 Ų131.481%0.80863%0.633SS**Hα-helixtrans-60-22.1-172.5-65.9-173.6115.100113.6N601E597-N601 PolarHBondContact O-ND2 3.37Å
598K45Very low42.2Very low184 Ų184130.9 Ų130.980%0.863%0.631SS**Hα-helixtrans-78.7-30.8177.2-70.2-179.7-179.6173.30113.3D596D596-K598 PolarHBondContact O-N 3.41Å
599S44.3Very low42.4Very low38 Ų38127.7 Ų127.727%0.26662%0.617SS.*Hα-helixtrans-76.3-43.1174.269.60000110.4D596 N601 K602 E603D596-S599 PolarHBondContact O-N 2.72Å; D596-S599 PolarHBondContact O-OG 2.87Å; S599-N601 VanDerWaalsContact C-N 3.3Å; S599-N601 PolarHBondContact O-N 3.23Å; S599-K602 PolarHBondContact O-N 3.39Å; S599-E603 PolarHBondContact O-N 3.03Å
600W33.4Very low42.6Very low161 Ų161126.5 Ų126.561%0.6161%0.612SS**Hα-helixtrans-50.1-46.5-176.1-146.767.1000112.8D596 I604D596-W600 PolarHBondContact O-N 2.95Å; W600-I604 HydrophobicContact CD2-CD1 3.49Å; W600-I604 VanDerWaalsContact CD2-CD1 3.49Å; W600-I604 HydrophobicContact CE3-CD1 3.66Å; W600-I604 HydrophobicContact CG-CD1 4.07Å; W600-I604 HydrophobicContact CH2-CD1 3.98Å; W600-I604 HydrophobicContact CZ2-CD1 3.82Å; W600-I604 HydrophobicContact CZ3-CD1 3.9Å; W600-I604 VanDerWaalsContact O-CB 3.27Å; W600-I604 WeakPolarHBondContact O-CB 3.31Å; W600-I604 VanDerWaalsContact O-CG1 3.28Å; W600-I604 WeakPolarHBondContact O-CG1 3.23Å; W600-I604 PolarHBondContact O-N 3.28Å
601N44.6Very low42.6Very low111 Ų111124.8 Ų124.859%0.59460%0.595SS**Hα-helixtrans-67.4-38.9178.5-78.5-79.5000113.4E597 S599 Y605E597-N601 PolarHBondContact O-ND2 3.37Å; S599-N601 VanDerWaalsContact C-N 3.3Å; S599-N601 PolarHBondContact O-N 3.23Å; N601-Y605 WeakPolarHBondContact O-CB 3.13Å; N601-Y605 PolarHBondContact O-N 2.65Å
602K54.1Low42.4Very low151 Ų151121.6 Ų121.666%0.65759%0.587SS**Hα-helixtrans-74.3-39.9179.9-171.8177.3179.8-177.60111.4S599 N606S599-K602 PolarHBondContact O-N 3.39Å; K602-N606 VanDerWaalsContact O-CB 3.29Å; K602-N606 WeakPolarHBondContact O-CB 3.5Å; K602-N606 VanDerWaalsContact O-CG 3.27Å; K602-N606 PolarHBondContact O-N 3.14Å
603E49.6Very low42.1Very low132 Ų132118.1 Ų118.162%0.61758%0.577SS**Hα-helixtrans-69.7-45.2176.1-106.1-174.9174.100112.1S599 Y605 N606 L607S599-E603 PolarHBondContact O-N 3.03Å; E603-Y605 PolarHBondContact O-N 3.29Å; E603-N606 CarbonylContact O-C 3.58Å; E603-N606 PolarHBondContact O-N 3Å; E603-L607 VanDerWaalsContact O-CB 3.28Å; E603-L607 WeakPolarHBondContact O-CB 3.32Å; E603-L607 PolarHBondContact O-N 3.4Å
604I43Very low42.2Very low65 Ų65113 Ų11333%0.33357%0.565SS.*Hα-helixtrans-64.9-39.8176.6-70.1172.6000111.3W600 L607 L608W600-I604 HydrophobicContact CD2-CD1 3.49Å; W600-I604 VanDerWaalsContact CD2-CD1 3.49Å; W600-I604 HydrophobicContact CE3-CD1 3.66Å; W600-I604 HydrophobicContact CG-CD1 4.07Å; W600-I604 HydrophobicContact CH2-CD1 3.98Å; W600-I604 HydrophobicContact CZ2-CD1 3.82Å; W600-I604 HydrophobicContact CZ3-CD1 3.9Å; W600-I604 VanDerWaalsContact O-CB 3.27Å; W600-I604 WeakPolarHBondContact O-CB 3.31Å; W600-I604 VanDerWaalsContact O-CG1 3.28Å; W600-I604 WeakPolarHBondContact O-CG1 3.23Å; W600-I604 PolarHBondContact O-N 3.28Å; I604-L607 PolarHBondContact O-N 3.41Å; I604-L608 HydrophobicContact CG2-CD1 3.71Å; I604-L608 HydrophobicContact CG2-CG 4.29Å; I604-L608 VanDerWaalsContact O-CB 3.3Å; I604-L608 WeakPolarHBondContact O-CB 3.46Å; I604-L608 WeakPolarHBondContact O-CG 3.4Å; I604-L608 PolarHBondContact O-N 3.06Å
605Y44.8Very low42.4Very low107 Ų107114.8 Ų114.842%0.4257%0.568SS.*Hα-helixtrans-60.4-47.8173.5-177.2-95.1000111.4N601 E603 I609N601-Y605 WeakPolarHBondContact O-CB 3.13Å; N601-Y605 PolarHBondContact O-N 2.65Å; E603-Y605 PolarHBondContact O-N 3.29Å; Y605-I609 HydrophobicContact CD1-CD1 4.15Å; Y605-I609 HydrophobicContact CD2-CD1 4.03Å; Y605-I609 HydrophobicContact CE1-CD1 3.66Å; Y605-I609 HydrophobicContact CE2-CD1 3.53Å; Y605-I609 HydrophobicContact CG-CD1 4.33Å; Y605-I609 WeakPolarHBondContact O-CB 3.24Å; Y605-I609 WeakPolarHBondContact O-CG1 3.33Å; Y605-I609 PolarHBondContact O-N 2.63Å
606N52.7Low42.5Very low85 Ų85112.3 Ų112.346%0.45556%0.555SS.*Hα-helixtrans-64.6-39.5175.7-78.1-13.1000112.3K602 E603 K610K602-N606 VanDerWaalsContact O-CB 3.29Å; K602-N606 WeakPolarHBondContact O-CB 3.5Å; K602-N606 VanDerWaalsContact O-CG 3.27Å; K602-N606 PolarHBondContact O-N 3.14Å; E603-N606 CarbonylContact O-C 3.58Å; E603-N606 PolarHBondContact O-N 3Å; N606-K610 WeakPolarHBondContact O-CA 3.27Å; N606-K610 WeakPolarHBondContact O-CB 3.34Å; N606-K610 PolarHBondContact O-N 3.18Å
607L50.5Low42.2Very low108 Ų108109.9 Ų109.957%0.56555%0.553SS**Hα-helixtrans-72.4-40.9-177.8-149.683.5000111.2E603 I604 N611E603-L607 VanDerWaalsContact O-CB 3.28Å; E603-L607 WeakPolarHBondContact O-CB 3.32Å; E603-L607 PolarHBondContact O-N 3.4Å; I604-L607 PolarHBondContact O-N 3.41Å; L607-N611 VanDerWaalsContact O-CB 3.25Å; L607-N611 WeakPolarHBondContact O-CB 3.3Å; L607-N611 PolarHBondContact O-N 3.26Å; L607-N611 PolarHBondContact O-ND2 3.04Å
608L37.9Very low42.2Very low121 Ų121107.2 Ų107.263%0.63454%0.537SS*.Hα-helixtrans-67.5-50.3174.9-78.9170.2000111.4I604 N611 A612I604-L608 HydrophobicContact CG2-CD1 3.71Å; I604-L608 HydrophobicContact CG2-CG 4.29Å; I604-L608 VanDerWaalsContact O-CB 3.3Å; I604-L608 WeakPolarHBondContact O-CB 3.46Å; I604-L608 WeakPolarHBondContact O-CG 3.4Å; I604-L608 PolarHBondContact O-N 3.06Å; L608-N611 PolarHBondContact O-N 2.94Å; L608-A612 VanDerWaalsContact O-CB 3.24Å; L608-A612 WeakPolarHBondContact O-CB 3.45Å; L608-A612 PolarHBondContact O-N 3.26Å
609I43.1Very low41.9Very low56 Ų56103.6 Ų103.629%0.28753%0.526SS..Hα-helixtrans-68.6-41.8-179.5-68.5-172.8000111Y605 N611 A612 L613Y605-I609 HydrophobicContact CD1-CD1 4.15Å; Y605-I609 HydrophobicContact CD2-CD1 4.03Å; Y605-I609 HydrophobicContact CE1-CD1 3.66Å; Y605-I609 HydrophobicContact CE2-CD1 3.53Å; Y605-I609 HydrophobicContact CG-CD1 4.33Å; Y605-I609 WeakPolarHBondContact O-CB 3.24Å; Y605-I609 WeakPolarHBondContact O-CG1 3.33Å; Y605-I609 PolarHBondContact O-N 2.63Å; I609-N611 PolarHBondContact O-N 2.85Å; I609-A612 PolarHBondContact O-N 3.4Å; I609-L613 HydrophobicContact CG2-CD1 3.62Å; I609-L613 HydrophobicContact CG2-CG 4.15Å; I609-L613 WeakPolarHBondContact O-CB 3.43Å; I609-L613 VanDerWaalsContact O-CG 3.23Å; I609-L613 WeakPolarHBondContact O-CG 3.42Å; I609-L613 PolarHBondContact O-N 2.94Å
610K43.3Very low41.7Very low160 Ų160107.1 Ų107.170%0.69654%0.541SS*.Hα-helixtrans-67.1-37.1178.1-163.4173.2-175.1179.50111.8N606 S614N606-K610 WeakPolarHBondContact O-CA 3.27Å; N606-K610 WeakPolarHBondContact O-CB 3.34Å; N606-K610 PolarHBondContact O-N 3.18Å; K610-S614 WeakPolarHBondContact O-CB 3.48Å; K610-S614 PolarHBondContact O-N 2.88Å; K610-S614 PolarHBondContact O-OG 3.41Å
611N36.9Very low42.2Very low61 Ų61107.6 Ų107.633%0.32655%0.549SS..Hα-helixtrans-71.6-37.1172.1-80.9-74000113L607 L608 I609 S614 K615L607-N611 VanDerWaalsContact O-CB 3.25Å; L607-N611 WeakPolarHBondContact O-CB 3.3Å; L607-N611 PolarHBondContact O-N 3.26Å; L607-N611 PolarHBondContact O-ND2 3.04Å; L608-N611 PolarHBondContact O-N 2.94Å; I609-N611 PolarHBondContact O-N 2.85Å; N611-S614 PolarHBondContact O-N 3.03Å; N611-K615 WeakPolarHBondContact O-CB 3.41Å; N611-K615 PolarHBondContact O-N 3.07Å
612A34Very low42.4Very low57 Ų57104.8 Ų104.847%0.47154%0.537SS..Hα-helixtrans-60.8-47.1174.900000110.7L608 I609 N616L608-A612 VanDerWaalsContact O-CB 3.24Å; L608-A612 WeakPolarHBondContact O-CB 3.45Å; L608-A612 PolarHBondContact O-N 3.26Å; I609-A612 PolarHBondContact O-N 3.4Å; A612-N616 CarbonylContact O-C 3.55Å; A612-N616 PolarHBondContact O-N 2.85Å
613L37.2Very low42.1Very low119 Ų119104.3 Ų104.362%0.62353%0.534SS*.Hα-helixtrans-69.8-32176.7-66.3173.6000113.5I609 G617I609-L613 HydrophobicContact CG2-CD1 3.62Å; I609-L613 HydrophobicContact CG2-CG 4.15Å; I609-L613 WeakPolarHBondContact O-CB 3.43Å; I609-L613 VanDerWaalsContact O-CG 3.23Å; I609-L613 WeakPolarHBondContact O-CG 3.42Å; I609-L613 PolarHBondContact O-N 2.94Å; L613-G617 WeakPolarHBondContact O-CA 3.29Å
614S44Very low41.9Very low84 Ų84103.9 Ų103.959%0.58754%0.536SS*.Hα-helixtrans-96.7-21.6-173.876.70000116K610 N611K610-S614 WeakPolarHBondContact O-CB 3.48Å; K610-S614 PolarHBondContact O-N 2.88Å; K610-S614 PolarHBondContact O-OG 3.41Å; N611-S614 PolarHBondContact O-N 3.03Å
615K37.7Very low41.8Very low159 Ų159103.7 Ų103.769%0.69154%0.535SS*.Hα-helixtrans-108.2-26.7180-69.8-171.6172.2-176.70114.4N611N611-K615 WeakPolarHBondContact O-CB 3.41Å; N611-K615 PolarHBondContact O-N 3.07Å
616N36.2Very low42Very low125 Ų125106.7 Ų106.767%0.66855%0.551SS**SBendtrans-133.259176.9-76.1-28.8000109.9A612 Y618A612-N616 CarbonylContact O-C 3.55Å; A612-N616 PolarHBondContact O-N 2.85Å; N616-Y618 PolarHBondContact O-N 3.49Å
617G34.8Very low41.8Very low50 Ų50107.8 Ų107.852%0.51555%0.553SS.*THydrogen-bonded Turntrans-65.825-168.400000117.9L613L613-G617 WeakPolarHBondContact O-CA 3.29Å
618Y40Very low41.6Very low118 Ų118107.1 Ų107.146%0.46355%0.549SS..THydrogen-bonded Turntrans-125.3-5.4-175.7-70-74.5000114.6A371 I374 N616A371-Y618 HydrophobicContact CB-CD1 4.08Å; A371-Y618 HydrophobicContact CB-CE1 4.49Å; A371-Y618 VanDerWaalsContact O-CE1 3.3Å; A371-Y618 WeakPolarHBondContact O-CE1 3.49Å; I374-Y618 HydrophobicContact CB-CE1 4.36Å; I374-Y618 WeakPolarHBondContact CG2-OH 3.11Å; N616-Y618 PolarHBondContact O-N 3.49Å
619L39Very low41.6Very low108 Ų108104.9 Ų104.957%0.56554%0.538SS*.SBendtrans-105.1139.5175.7-93.176.2000112.7
620I39.3Very low41.8Very low112 Ų112104.3 Ų104.357%0.57454%0.538SS*.  trans74.780.7173.3-47.2160.7000114.7N625I620-N625 HydrophobicContact CG2-CB 3.72Å
621Q44.4Very low41.9Very low170 Ų17098.9 Ų98.979%0.79452%0.521SS*.  trans-108-5165.1-75.3-160.7800115.4K623Q621-K623 PolarHBondContact O-N 3.49Å
622T48.1Very low42.3Very low53 Ų5399.3 Ų99.333%0.32552%0.522SS..  trans-64.8127.9-174.951.90000112.4L624 N625 K626T622-L624 PolarHBondContact O-N 3.38Å; T622-L624 VanDerWaalsContact O-N 3.12Å; T622-N625 PolarHBondContact O-N 3.11Å; T622-N625 WeakPolarHBondContact OG1-CB 3.3Å; T622-N625 VanDerWaalsContact OG1-CG 3.32Å; T622-N625 PolarHBondContact OG1-ND2 3.41Å; T622-K626 PolarHBondContact O-N 3.4Å
623K47.6Very low42.6Very low141 Ų14198.6 Ų98.661%0.61351%0.514SS*.Hα-helixtrans-53.3-33.4173.9-164.4178.2-177.4-175.80110.8Q621 K626 Q627Q621-K623 PolarHBondContact O-N 3.49Å; K623-K626 PolarHBondContact O-N 2.94Å; K623-Q627 WeakPolarHBondContact O-CB 3.49Å; K623-Q627 WeakPolarHBondContact O-CG 3.49Å; K623-Q627 PolarHBondContact O-N 3.29Å
624L45.2Very low43Very low122 Ų12299.4 Ų99.464%0.63951%0.512SS*.Hα-helixtrans-59.2-47.5172.8-164.678.6000113.2T622 Q627 L628T622-L624 PolarHBondContact O-N 3.38Å; T622-L624 VanDerWaalsContact O-N 3.12Å; L624-Q627 CarbonylContact O-C 3.55Å; L624-Q627 WeakPolarHBondContact O-CB 3.35Å; L624-Q627 PolarHBondContact O-N 2.9Å; L624-L628 WeakPolarHBondContact O-CB 3.49Å; L624-L628 PolarHBondContact O-N 3.44Å
625N42.2Very low43.2Very low61 Ų61101.9 Ų101.933%0.32652%0.515SS..Hα-helixtrans-70.1-33.5178.8-79.4-15.9000112.1I620 T622 Q627 L628 L629I620-N625 HydrophobicContact CG2-CB 3.72Å; T622-N625 PolarHBondContact O-N 3.11Å; T622-N625 WeakPolarHBondContact OG1-CB 3.3Å; T622-N625 VanDerWaalsContact OG1-CG 3.32Å; T622-N625 PolarHBondContact OG1-ND2 3.41Å; N625-Q627 VanDerWaalsContact C-N 3.34Å; N625-L628 PolarHBondContact O-N 3.03Å; N625-L629 WeakPolarHBondContact O-CB 3.4Å; N625-L629 PolarHBondContact O-N 3.27Å
626K47.1Very low43.3Very low171 Ų171103.4 Ų103.474%0.74352%0.516SS*.Hα-helixtrans-63.4-40.6170.2-167.1175.8-178.5-178.80111T622 K623 S630T622-K626 PolarHBondContact O-N 3.4Å; K623-K626 PolarHBondContact O-N 2.94Å; K626-S630 WeakPolarHBondContact O-CB 3.44Å; K626-S630 PolarHBondContact O-N 2.82Å
627Q48.9Very low43.4Very low107 Ų107102.5 Ų102.550%0.551%0.511SS..Hα-helixtrans-66.1-41.1172.7-77.7176.2-2800112.6K623 L624 N625 S630 S631K623-Q627 WeakPolarHBondContact O-CB 3.49Å; K623-Q627 WeakPolarHBondContact O-CG 3.49Å; K623-Q627 PolarHBondContact O-N 3.29Å; L624-Q627 CarbonylContact O-C 3.55Å; L624-Q627 WeakPolarHBondContact O-CB 3.35Å; L624-Q627 PolarHBondContact O-N 2.9Å; N625-Q627 VanDerWaalsContact C-N 3.34Å; Q627-S630 CarbonylContact O-C 3.53Å; Q627-S630 WeakPolarHBondContact O-CA 3.49Å; Q627-S630 WeakPolarHBondContact O-CB 3.26Å; Q627-S630 PolarHBondContact O-N 2.83Å; Q627-S630 VanDerWaalsContact O-N 3.12Å; Q627-S630 PolarHBondContact O-OG 3.01Å; Q627-S631 PolarHBondContact O-N 2.89Å; Q627-S631 PolarHBondContact O-OG 2.88Å
628L45.9Very low43.8Very low94 Ų94108 Ų10849%0.49252%0.521SS..Hα-helixtrans-65.9-43.2179.1-158.182.9000111.7L624 N625 S630 S631 I632L624-L628 WeakPolarHBondContact O-CB 3.49Å; L624-L628 PolarHBondContact O-N 3.44Å; N625-L628 PolarHBondContact O-N 3.03Å; L628-S630 VanDerWaalsContact C-N 3.28Å; L628-S630 PolarHBondContact O-N 3.32Å; L628-S631 WeakPolarHBondContact CA-OG 3.4Å; L628-S631 PolarHBondContact O-N 2.79Å; L628-S631 PolarHBondContact O-OG 3.05Å; L628-I632 HydrophobicContact CD2-CD1 4.25Å; L628-I632 HydrophobicContact CG-CD1 4.04Å; L628-I632 WeakPolarHBondContact O-CB 3.48Å; L628-I632 VanDerWaalsContact O-CG1 3.26Å; L628-I632 WeakPolarHBondContact O-CG1 3.41Å; L628-I632 PolarHBondContact O-N 3.02Å
629L39.6Very low43.8Very low75 Ų75106.9 Ų106.939%0.39353%0.53SS..Hα-helixtrans-62.1-37.4170.3-78.7160.4000111.3N625 S633N625-L629 WeakPolarHBondContact O-CB 3.4Å; N625-L629 PolarHBondContact O-N 3.27Å; L629-S633 WeakPolarHBondContact O-CB 3.31Å; L629-S633 PolarHBondContact O-N 3.45Å; L629-S633 PolarHBondContact O-OG 3.21Å
630S46.9Very low43.8Very low43 Ų43105.7 Ų105.730%0.30153%0.531SS..Hα-helixtrans-68.6-33.4174.190.50000113.4K626 Q627 L628 S633 K634K626-S630 WeakPolarHBondContact O-CB 3.44Å; K626-S630 PolarHBondContact O-N 2.82Å; Q627-S630 CarbonylContact O-C 3.53Å; Q627-S630 WeakPolarHBondContact O-CA 3.49Å; Q627-S630 WeakPolarHBondContact O-CB 3.26Å; Q627-S630 PolarHBondContact O-N 2.83Å; Q627-S630 VanDerWaalsContact O-N 3.12Å; Q627-S630 PolarHBondContact O-OG 3.01Å; L628-S630 VanDerWaalsContact C-N 3.28Å; L628-S630 PolarHBondContact O-N 3.32Å; S630-S633 WeakPolarHBondContact CA-OG 3.25Å; S630-S633 PolarHBondContact O-OG 2.85Å; S630-S633 VanDerWaalsContact O-OG 3.12Å; S630-K634 WeakPolarHBondContact O-CB 3.49Å; S630-K634 WeakPolarHBondContact O-CD 3.35Å; S630-K634 WeakPolarHBondContact O-CG 3.39Å; S630-K634 PolarHBondContact O-N 2.98Å
631S44.5Very low43.6Very low46 Ų46104.2 Ų104.232%0.32252%0.524SS..Hα-helixtrans-80.2-39.9-179.466.50000111.5Q627 L628 K634 Q635Q627-S631 PolarHBondContact O-N 2.89Å; Q627-S631 PolarHBondContact O-OG 2.88Å; L628-S631 WeakPolarHBondContact CA-OG 3.4Å; L628-S631 PolarHBondContact O-N 2.79Å; L628-S631 PolarHBondContact O-OG 3.05Å; S631-K634 PolarHBondContact O-N 2.94Å; S631-Q635 WeakPolarHBondContact O-CB 3.38Å; S631-Q635 WeakPolarHBondContact O-CG 3.49Å; S631-Q635 PolarHBondContact O-N 3.13Å
632I44.6Very low43.1Very low71 Ų7199.9 Ų99.936%0.36451%0.512SS..Hα-helixtrans-63.5-43173.3-67.6166.4000110.7L628 Q635 R636L628-I632 HydrophobicContact CD2-CD1 4.25Å; L628-I632 HydrophobicContact CG-CD1 4.04Å; L628-I632 WeakPolarHBondContact O-CB 3.48Å; L628-I632 VanDerWaalsContact O-CG1 3.26Å; L628-I632 WeakPolarHBondContact O-CG1 3.41Å; L628-I632 PolarHBondContact O-N 3.02Å; I632-Q635 PolarHBondContact O-N 3.34Å; I632-R636 WeakPolarHBondContact O-CB 3.49Å; I632-R636 WeakPolarHBondContact O-CG 3.11Å; I632-R636 PolarHBondContact O-N 2.87Å
633S42Very low42.5Very low42 Ų42102 Ų10229%0.29453%0.528SS..Hα-helixtrans-67.9-42.5174.354.20000112.4L629 S630 Q635 R636 L637L629-S633 WeakPolarHBondContact O-CB 3.31Å; L629-S633 PolarHBondContact O-N 3.45Å; L629-S633 PolarHBondContact O-OG 3.21Å; S630-S633 WeakPolarHBondContact CA-OG 3.25Å; S630-S633 PolarHBondContact O-OG 2.85Å; S630-S633 VanDerWaalsContact O-OG 3.12Å; S633-Q635 VanDerWaalsContact C-N 3.33Å; S633-Q635 PolarHBondContact O-N 3.31Å; S633-R636 PolarHBondContact O-N 3.26Å; S633-L637 WeakPolarHBondContact O-CB 3.46Å; S633-L637 WeakPolarHBondContact O-CG 3.29Å; S633-L637 PolarHBondContact O-N 3.01Å
634K46Very low42Very low135 Ų135100.8 Ų100.859%0.58753%0.528SS*.Hα-helixtrans-61.5-36.3172.5-77.9170.9179.6178.30112.7S630 S631 K638S630-K634 WeakPolarHBondContact O-CB 3.49Å; S630-K634 WeakPolarHBondContact O-CD 3.35Å; S630-K634 WeakPolarHBondContact O-CG 3.39Å; S630-K634 PolarHBondContact O-N 2.98Å; S631-K634 PolarHBondContact O-N 2.94Å; K634-K638 WeakPolarHBondContact O-CB 3.35Å; K634-K638 VanDerWaalsContact O-CG 3.31Å; K634-K638 WeakPolarHBondContact O-CG 3.2Å; K634-K638 PolarHBondContact O-N 3.44Å
635Q46.2Very low41.4Very low137 Ų137102.2 Ų102.264%0.6453%0.529SS*.Hα-helixtrans-68.1-49.7175-79.6178-17.500111.5S631 I632 S633 L637 K638 S639S631-Q635 WeakPolarHBondContact O-CB 3.38Å; S631-Q635 WeakPolarHBondContact O-CG 3.49Å; S631-Q635 PolarHBondContact O-N 3.13Å; I632-Q635 PolarHBondContact O-N 3.34Å; S633-Q635 VanDerWaalsContact C-N 3.33Å; S633-Q635 PolarHBondContact O-N 3.31Å; Q635-L637 VanDerWaalsContact C-N 3.28Å; Q635-L637 PolarHBondContact O-N 3.01Å; Q635-K638 PolarHBondContact O-N 2.79Å; Q635-S639 PolarHBondContact O-N 3.31Å; Q635-S639 VanDerWaalsContact O-N 3.11Å; Q635-S639 PolarHBondContact O-OG 3.37Å
636R40.3Very low40.9Very low190 Ų190106 Ų10672%0.71755%0.55SS*.Hα-helixtrans-63.8-29.1177.7-74.2-177.1171.6-175.1-2.7113.6I632 S633 S639I632-R636 WeakPolarHBondContact O-CB 3.49Å; I632-R636 WeakPolarHBondContact O-CG 3.11Å; I632-R636 PolarHBondContact O-N 2.87Å; S633-R636 PolarHBondContact O-N 3.26Å; R636-S639 PolarHBondContact O-OG 2.79Å
637L39Very low40.3Very low107 Ų107103.2 Ų103.256%0.5655%0.547SS*.Hα-helixtrans-76.4-40.4171.8-74167000112.4S633 Q635 S639 S640 L641S633-L637 WeakPolarHBondContact O-CB 3.46Å; S633-L637 WeakPolarHBondContact O-CG 3.29Å; S633-L637 PolarHBondContact O-N 3.01Å; Q635-L637 VanDerWaalsContact C-N 3.28Å; Q635-L637 PolarHBondContact O-N 3.01Å; L637-S639 VanDerWaalsContact C-N 3.32Å; L637-S639 PolarHBondContact O-N 2.96Å; L637-S640 PolarHBondContact O-N 3.06Å; L637-S640 VanDerWaalsContact O-N 3.15Å; L637-L641 PolarHBondContact O-N 2.81Å
638K41.9Very low39.5Very low166 Ų166108.1 Ų108.172%0.72256%0.562SS**Hα-helixtrans-64.8-31.7178.6-82.5-174.5173.9-169.30113.4K634 Q635 S640K634-K638 WeakPolarHBondContact O-CB 3.35Å; K634-K638 VanDerWaalsContact O-CG 3.31Å; K634-K638 WeakPolarHBondContact O-CG 3.2Å; K634-K638 PolarHBondContact O-N 3.44Å; Q635-K638 PolarHBondContact O-N 2.79Å; K638-S640 PolarHBondContact O-N 2.98Å
639S40.7Very low38.9Very low94 Ų94110.5 Ų110.566%0.65757%0.574SS**Hα-helixtrans-69.5-14.8174.750.70000114.5Q635 R636 L637Q635-S639 PolarHBondContact O-N 3.31Å; Q635-S639 VanDerWaalsContact O-N 3.11Å; Q635-S639 PolarHBondContact O-OG 3.37Å; R636-S639 PolarHBondContact O-OG 2.79Å; L637-S639 VanDerWaalsContact C-N 3.32Å; L637-S639 PolarHBondContact O-N 2.96Å
640S38.8Very low38.6Very low83 Ų83112.2 Ų112.258%0.5859%0.592SS**Hα-helixtrans-107-9.3-175.7-1750000114.9L637 K638L637-S640 PolarHBondContact O-N 3.06Å; L637-S640 VanDerWaalsContact O-N 3.15Å; K638-S640 PolarHBondContact O-N 2.98Å
641L35.8Very low37.9Very low81 Ų81118.3 Ų118.342%0.42462%0.622SS.*Hα-helixtrans-120.9-2.9-169.7-68.2171.6000114.6L637 S643 I644L637-L641 PolarHBondContact O-N 2.81Å; L641-S643 PolarHBondContact O-N 3.12Å; L641-I644 PolarHBondContact O-N 3.23Å
642S34.3Very low37.2Very low79 Ų79122.9 Ų122.955%0.55264%0.642SS**THydrogen-bonded Turntrans-64.8-17.8-175.753.80000115.2N646S642-N646 PolarHBondContact O-ND2 3.22Å
643S35.1Very low36.5Very low96 Ų96128.3 Ų128.367%0.67166%0.663SS**THydrogen-bonded Turntrans-89.2-18.7179.853.20000114.7L641L641-S643 PolarHBondContact O-N 3.12Å
644I37.1Very low36.1Very low116 Ų116136.6 Ų136.660%0.59569%0.689SS**THydrogen-bonded Turntrans-102.1-28.8-169.7-62.2178.3000112.6L641 N646 T647L641-I644 PolarHBondContact O-N 3.23Å; I644-N646 PolarHBondContact O-N 3.36Å; I644-T647 PolarHBondContact O-OG1 3.34Å
645F32.4Very low35.4Very low152 Ų152139.4 Ų139.467%0.66771%0.705SS**G310 helixtrans-80.4-13-174.3-106.9-89.2000115.7T647F645-T647 PolarHBondContact O-N 3.37Å
646N32.5Very low34.8Very low142 Ų142140 Ų14076%0.75971%0.711SS**G310 helixtrans-84.52.6-171.1-74.7-28.4000115.3S642 I644S642-N646 PolarHBondContact O-ND2 3.22Å; I644-N646 PolarHBondContact O-N 3.36Å
647T33.6Very low34.4Very low112 Ų112137 Ų13769%0.68771%0.709SS**G310 helixtrans-108-4.5-173.8460000115.4I644 F645I644-T647 PolarHBondContact O-OG1 3.34Å; F645-T647 PolarHBondContact O-N 3.37Å
648Y32.8Very low34.2Very low210 Ų210139.3 Ų139.382%0.82472%0.721SS**SBendtrans-1201.3-170.1-98.9-83.6000116.7
649I33.2Very low33.9Very low144 Ų144139.9 Ų139.974%0.73872%0.724SS**  trans-114.974.2179.3-51.1-177.8000110
650S33.2Very low33.8Very low111 Ų111138.2 Ų138.278%0.77672%0.715SS**  trans-164.284.2168.3-79.70000111.6
651N31.3Very low33.8Very low171 Ų171138.7 Ų138.791%0.91471%0.711SS**  trans-170.2141.1145.5-100.2-43.4000110.5
652D31.2Very low34Very low141 Ų141142.4 Ų142.475%0.75473%0.726SS**  trans-88.7171.1-169.6-64.6-58.5000115.2
653K30Very low34.3Very low186 Ų186142 Ų14281%0.80972%0.724SS**  trans75.9111.7160.7-59.1146.5-174.5167.20116.2
654Y33.1Very low34.4Very low215 Ų215142.3 Ų142.384%0.84372%0.718SS**  -161128.9106.6-100.3-71.7000110.1
655Q29.9Very low34.5Very low194 Ų194141 Ų14191%0.90771%0.711SS**  trans-90.3123.5163.3-77.4-166.95.300109.1
656I34.7Very low34.8Very low149 Ų149136.9 Ų136.976%0.76470%0.701SS**  trans-135.8126168.2-59.6-176.2000110.1
657N32.5Very low35.1Very low127 Ų127135 Ų13568%0.67969%0.691SS**  trans-21.8116.4-179.5-91.2-62.8000119.1K659N657-K659 PolarHBondContact O-N 2.97Å
658L34Very low35.2Very low156 Ų156133.3 Ų133.382%0.81768%0.677SS**THydrogen-bonded Turntrans-67.8-15.5173.4-154.472.4000114.4
659K36.6Very low35.3Very low179 Ų179130.2 Ų130.278%0.77867%0.668SS**THydrogen-bonded Turntrans-79.5-13.5-175.6-73.1-168.4174.2-173.80115.4N657N657-K659 PolarHBondContact O-N 2.97Å
660A37.7Very low35.8Very low58 Ų58132.5 Ų132.548%0.47967%0.673SS.*SBendtrans-75-35.5-17900000113.1Q662 S663 L664A660-Q662 VanDerWaalsContact C-N 3.33Å; A660-Q662 PolarHBondContact O-N 3.26Å; A660-S663 PolarHBondContact O-N 3.07Å; A660-L664 PolarHBondContact O-N 2.95Å
661N39.2Very low36Very low94 Ų94134.5 Ų134.550%0.50367%0.67SS.*Hα-helixtrans-69.3-27-168.1-68.3-3.1000113.8S663 L664 L665N661-S663 VanDerWaalsContact C-N 3.3Å; N661-S663 PolarHBondContact O-N 2.65Å; N661-L664 PolarHBondContact O-N 2.75Å; N661-L665 VanDerWaalsContact O-CD1 3.3Å; N661-L665 WeakPolarHBondContact O-CD1 3.26Å; N661-L665 PolarHBondContact O-N 2.97Å
662Q39.1Very low36Very low158 Ų158133.2 Ų133.274%0.73865%0.653SS**Hα-helixtrans-64.7-33.5176.2-70.8179.2-28.900112.5A660 S666A660-Q662 VanDerWaalsContact C-N 3.33Å; A660-Q662 PolarHBondContact O-N 3.26Å; Q662-S666 PolarHBondContact O-N 3.41Å
663S40.8Very low35.9Very low72 Ų72134.9 Ų134.950%0.50366%0.662SS.*Hα-helixtrans-73.1-36.7173.4-174.20000112.3A660 N661 S666 L667A660-S663 PolarHBondContact O-N 3.07Å; N661-S663 VanDerWaalsContact C-N 3.3Å; N661-S663 PolarHBondContact O-N 2.65Å; S663-S666 PolarHBondContact O-OG 3.25Å; S663-L667 PolarHBondContact O-N 2.88Å
664L37.7Very low35.9Very low102 Ų102132.2 Ų132.253%0.53466%0.656SS.*Hα-helixtrans-72-39.3179.8-111.7168.3000111.6A660 N661 L667 L668A660-L664 PolarHBondContact O-N 2.95Å; N661-L664 PolarHBondContact O-N 2.75Å; L664-L667 PolarHBondContact O-N 2.54Å; L664-L668 WeakPolarHBondContact O-CB 3.36Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.3Å; L664-L668 PolarHBondContact O-N 3.21Å
665L38.5Very low35.5Very low89 Ų89126.3 Ų126.347%0.46665%0.646SS.*Hα-helixtrans-59.6-47.1170.8-95.975.3000111.4N661 L667 L668 F669N661-L665 VanDerWaalsContact O-CD1 3.3Å; N661-L665 WeakPolarHBondContact O-CD1 3.26Å; N661-L665 PolarHBondContact O-N 2.97Å; L665-L667 VanDerWaalsContact C-N 3.26Å; L665-L667 PolarHBondContact O-N 3.21Å; L665-L668 PolarHBondContact O-N 2.93Å; L665-F669 HydrophobicContact CB-CD2 4.19Å; L665-F669 HydrophobicContact CB-CE2 3.88Å; L665-F669 HydrophobicContact CD2-CE2 4.03Å; L665-F669 HydrophobicContact CD2-CZ 4.27Å; L665-F669 HydrophobicContact CG-CE2 4.23Å; L665-F669 WeakPolarHBondContact O-CB 3.32Å; L665-F669 WeakPolarHBondContact O-CD2 3.27Å; L665-F669 VanDerWaalsContact O-CG 3.32Å; L665-F669 WeakPolarHBondContact O-CG 3.4Å; L665-F669 PolarHBondContact O-N 3.04Å
666S39.7Very low35.6Very low65 Ų65127.7 Ų127.746%0.45564%0.643SS.*Hα-helixtrans-65.9-25.5-178.671.40000114.3Q662 S663Q662-S666 PolarHBondContact O-N 3.41Å; S663-S666 PolarHBondContact O-OG 3.25Å
667L38Very low35.3Very low102 Ų102126.4 Ų126.453%0.53464%0.643SS.*Hα-helixtrans-77.4-43.4170.4-82.2163000112.1S663 L664 L665 F669 K670 Q671S663-L667 PolarHBondContact O-N 2.88Å; L664-L667 PolarHBondContact O-N 2.54Å; L665-L667 VanDerWaalsContact C-N 3.26Å; L665-L667 PolarHBondContact O-N 3.21Å; L667-F669 VanDerWaalsContact C-N 3.33Å; L667-F669 PolarHBondContact O-N 3.25Å; L667-K670 PolarHBondContact O-N 3.46Å; L667-Q671 PolarHBondContact O-N 2.91Å; L667-Q671 VanDerWaalsContact O-N 3.08Å
668L35.6Very low35.6Very low77 Ų77122.7 Ų122.740%0.40362%0.622SS.*Hα-helixtrans-61-41.3175-71.6167.3000111.8L664 L665 K670 Q671 Y672L664-L668 WeakPolarHBondContact O-CB 3.36Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.3Å; L664-L668 PolarHBondContact O-N 3.21Å; L665-L668 PolarHBondContact O-N 2.93Å; L668-K670 PolarHBondContact O-N 2.94Å; L668-Q671 PolarHBondContact O-N 3.1Å; L668-Q671 VanDerWaalsContact O-N 3.1Å; L668-Y672 HydrophobicContact CD2-CD2 4.07Å; L668-Y672 HydrophobicContact CD2-CE2 3.77Å; L668-Y672 PolarHBondContact O-N 3.27Å
669F35.3Very low36Very low145 Ų145117.4 Ų117.464%0.63660%0.597SS**Hα-helixtrans-63.9-15173.6-70.9-49.5000114.4L665 L667L665-F669 HydrophobicContact CB-CD2 4.19Å; L665-F669 HydrophobicContact CB-CE2 3.88Å; L665-F669 HydrophobicContact CD2-CE2 4.03Å; L665-F669 HydrophobicContact CD2-CZ 4.27Å; L665-F669 HydrophobicContact CG-CE2 4.23Å; L665-F669 WeakPolarHBondContact O-CB 3.32Å; L665-F669 WeakPolarHBondContact O-CD2 3.27Å; L665-F669 VanDerWaalsContact O-CG 3.32Å; L665-F669 WeakPolarHBondContact O-CG 3.4Å; L665-F669 PolarHBondContact O-N 3.04Å; L667-F669 VanDerWaalsContact C-N 3.33Å; L667-F669 PolarHBondContact O-N 3.25Å
670K43.8Very low36.4Very low191 Ų191119 Ų11983%0.8360%0.6SS**Hα-helixtrans-98-19.8171.4-87.4-170.4171.7-174.90113.9L667 L668L667-K670 PolarHBondContact O-N 3.46Å; L668-K670 PolarHBondContact O-N 2.94Å
671Q37.9Very low37.2Very low153 Ų153120.5 Ų120.572%0.71560%0.597SS**Hα-helixtrans-100.3-29.4-173-168.6168.45.400112.9L667 L668L667-Q671 PolarHBondContact O-N 2.91Å; L667-Q671 VanDerWaalsContact O-N 3.08Å; L668-Q671 PolarHBondContact O-N 3.1Å; L668-Q671 VanDerWaalsContact O-N 3.1Å
672Y31.6Very low38.1Very low145 Ų145116.8 Ų116.857%0.56958%0.576SS**SBendtrans-102.7121.2167.8-65.5-85.6000108.5L668 L674L668-Y672 HydrophobicContact CD2-CD2 4.07Å; L668-Y672 HydrophobicContact CD2-CE2 3.77Å; L668-Y672 PolarHBondContact O-N 3.27Å; Y672-L674 PolarHBondContact O-N 3.43Å
673N27.7Very low39.2Very low175 Ų175110.9 Ų110.994%0.93655%0.549SS*.  trans-78.354-175.3-150.918.7000111.1S675N673-S675 PolarHBondContact O-N 2.83Å; N673-S675 VanDerWaalsContact O-N 3.09Å
674L29.5Very low40.2Very low130 Ų130112.2 Ų112.268%0.68155%0.55SS*.  trans-73.594.9-178.3-74.4160.9000108.8Y672Y672-L674 PolarHBondContact O-N 3.43Å
675S25.6Very low41.8Very low92 Ų92108 Ų10864%0.64353%0.528SS*.  trans-56.8149.5165.649.50000110.4N673 T677N673-S675 PolarHBondContact O-N 2.83Å; N673-S675 VanDerWaalsContact O-N 3.09Å; S675-T677 VanDerWaalsContact C-N 3.29Å; S675-T677 PolarHBondContact O-N 2.93Å
676W31.8Very low43.6Very low223 Ų223103.9 Ų103.985%0.84551%0.507SS*.  trans-69.984.4177-66.189.1000110.2I678W676-I678 PolarHBondContact O-N 3.48Å
677T29.8Very low45.4Very low122 Ų122101.9 Ų101.975%0.74849%0.489SS*.  trans-70.686.7164.554.60000108.1S675 P679S675-T677 VanDerWaalsContact C-N 3.29Å; S675-T677 PolarHBondContact O-N 2.93Å; T677-P679 WeakPolarHBondContact O-CD 2.96Å
678I38.2Very low47.4Very low48 Ų4897.2 Ų97.225%0.24647%0.465CS..  trans-50.3123.3178.9-63.7177.3000109.2W676 Y680 Y682 L789W676-I678 PolarHBondContact O-N 3.48Å; I678-Y680 PolarHBondContact O-N 2.89Å; I678-Y682 HydrophobicContact CG2-CD2 3.59Å; I678-Y682 HydrophobicContact CG2-CG 4.07Å; I678-L789 HydrophobicContact CD1-CB 3.85Å
679P41.4Very low49.9Very low46 Ų4693.5 Ų93.530%0.29945%0.446SS..  trans-52.9132.2175.4-30.736.2000112.7T677 E681 Y682 L832T677-P679 WeakPolarHBondContact O-CD 2.96Å; P679-E681 PolarHBondContact O-N 2.82Å; P679-Y682 HydrophobicContact CB-CD2 4.09Å; P679-Y682 HydrophobicContact CB-CE2 4.21Å; P679-Y682 HydrophobicContact CG-CD2 4.3Å; P679-Y682 HydrophobicContact CG-CE2 4.05Å; P679-Y682 WeakPolarHBondContact O-CD2 3.37Å; P679-Y682 PolarHBondContact O-N 2.69Å; P679-L832 HydrophobicContact CB-CD1 4.36Å; P679-L832 HydrophobicContact CG-CD1 3.86Å
680Y46.5Very low52.1Low213 Ų21388 Ų8884%0.83543%0.425SS*.THydrogen-bonded Turntrans-56.6-12.5-171.9-74.6-81.4000116I678I678-Y680 PolarHBondContact O-N 2.89Å
681E53.1Low53.9Low88 Ų8880.3 Ų80.341%0.41139%0.393SS..Hα-helixtrans-80.9-18.4175.7-66.3-16312800114.1P679 D683 I684 T685 S836P679-E681 PolarHBondContact O-N 2.82Å; E681-D683 VanDerWaalsContact C-N 3.34Å; E681-D683 PolarHBondContact O-N 3.49Å; E681-I684 WeakPolarHBondContact O-CA 3.48Å; E681-I684 WeakPolarHBondContact O-CB 3.46Å; E681-I684 PolarHBondContact O-N 3.34Å; E681-T685 PolarHBondContact O-N 3.11Å; E681-S836 WeakPolarHBondContact OE2-CB 3.3Å
682Y57.9Low56.2Low17 Ų1773 Ų737%0.06736%0.359CS..Hα-helixtrans-68.5-31177.6-74.4-65000113.5I678 P679 I684 T685 I686 Y793 L832I678-Y682 HydrophobicContact CG2-CD2 3.59Å; I678-Y682 HydrophobicContact CG2-CG 4.07Å; P679-Y682 HydrophobicContact CB-CD2 4.09Å; P679-Y682 HydrophobicContact CB-CE2 4.21Å; P679-Y682 HydrophobicContact CG-CD2 4.3Å; P679-Y682 HydrophobicContact CG-CE2 4.05Å; P679-Y682 WeakPolarHBondContact O-CD2 3.37Å; P679-Y682 PolarHBondContact O-N 2.69Å; Y682-I684 VanDerWaalsContact C-N 3.25Å; Y682-I684 PolarHBondContact O-N 3.09Å; Y682-T685 PolarHBondContact O-N 3.35Å; Y682-T685 PolarHBondContact O-OG1 3.37Å; Y682-T685 VanDerWaalsContact O-OG1 3.04Å; Y682-I686 WeakPolarHBondContact O-CG1 3.23Å; Y682-I686 PolarHBondContact O-N 3.2Å; Y682-Y793 AromaticContact CD1-CE2 3.97Å; Y682-Y793 HydrophobicContact CD1-CE2 3.97Å; Y682-Y793 HydrophobicContact CD2-CE2 4.28Å; Y682-Y793 AromaticContact CE1-CE2 3.63Å; Y682-Y793 HydrophobicContact CE1-CE2 3.63Å; Y682-Y793 AromaticContact CE2-CE2 3.94Å; Y682-Y793 HydrophobicContact CE2-CE2 3.94Å; Y682-Y793 HydrophobicContact CG-CE2 4.27Å; Y682-Y793 AromaticContact CZ-CE2 3.59Å; Y682-Y793 PolarHBondContact OH-OH 2.81Å; Y682-Y793 VanDerWaalsContact OH-OH 3.07Å; Y682-L832 HydrophobicContact CE1-CD2 4.44Å; Y682-L832 HydrophobicContact CE2-CD1 3.82Å; Y682-L832 HydrophobicContact CE2-CD2 4.45Å; Y682-L832 WeakPolarHBondContact OH-CD1 3.17Å; Y682-L832 VanDerWaalsContact OH-CD2 3.3Å; Y682-L832 WeakPolarHBondContact OH-CD2 3.49Å; Y682-L832 WeakPolarHBondContact OH-CG 3.25Å
683D62.2Low58.7Low33 Ų3366.4 Ų66.418%0.17634%0.335CS..Hα-helixtrans-51.1-51164.8-96.2-12.3000109.7E681 T685 I686 Y687 K785E681-D683 VanDerWaalsContact C-N 3.34Å; E681-D683 PolarHBondContact O-N 3.49Å; D683-T685 PolarHBondContact O-N 3.47Å; D683-I686 PolarHBondContact O-N 3.22Å; D683-Y687 HydrophobicContact CB-CD2 4.07Å; D683-Y687 HydrophobicContact CB-CE2 3.73Å; D683-Y687 VanDerWaalsContact O-CB 3.23Å; D683-Y687 WeakPolarHBondContact O-CB 3.45Å; D683-Y687 WeakPolarHBondContact O-CD2 3.45Å; D683-Y687 PolarHBondContact O-N 3.31Å; D683-K785 WeakPolarHBondContact OD1-CE 3.34Å; D683-K785 IonicContact OD1-NZ 3.8Å; D683-K785 PolarHBondContact OD1-NZ 3.47Å; D683-K785 IonicContact OD2-NZ 3.65Å; D683-K785 PolarHBondContact OD2-NZ 2.79Å
684I62.9Low61.6Low101 Ų10158.1 Ų58.152%0.51829%0.291SS..Hα-helixtrans-66.5-37-175.8-51.1177.8000111E681 Y682 S688E681-I684 WeakPolarHBondContact O-CA 3.48Å; E681-I684 WeakPolarHBondContact O-CB 3.46Å; E681-I684 PolarHBondContact O-N 3.34Å; Y682-I684 VanDerWaalsContact C-N 3.25Å; Y682-I684 PolarHBondContact O-N 3.09Å; I684-S688 WeakPolarHBondContact O-CB 3.22Å; I684-S688 PolarHBondContact O-N 2.9Å; I684-S688 VanDerWaalsContact O-N 3.13Å
685T70.5Confident64.5Low13 Ų1352.1 Ų52.18%0.0826%0.259CS..Hα-helixtrans-67.5-4917767.70000111.5P31 E681 Y682 D683 S688P31-T685 HydrophobicContact CB-CG2 4.09Å; E681-T685 PolarHBondContact O-N 3.11Å; Y682-T685 PolarHBondContact O-N 3.35Å; Y682-T685 PolarHBondContact O-OG1 3.37Å; Y682-T685 VanDerWaalsContact O-OG1 3.04Å; D683-T685 PolarHBondContact O-N 3.47Å; T685-S688 WeakPolarHBondContact O-CB 3.4Å; T685-S688 PolarHBondContact O-N 3.37Å; T685-S688 VanDerWaalsContact O-N 3.1Å; T685-S688 PolarHBondContact O-OG 2.85Å
686I77.1Confident67.7Low2 Ų247.7 Ų47.71%0.0123%0.229CC..Hα-helixtrans-67.3-40.9-179.3-64.9168.2000110.8Y682 D683 S688 D689 L712 L715 L789 I792 W796Y682-I686 WeakPolarHBondContact O-CG1 3.23Å; Y682-I686 PolarHBondContact O-N 3.2Å; D683-I686 PolarHBondContact O-N 3.22Å; I686-S688 PolarHBondContact O-N 3.09Å; I686-D689 WeakPolarHBondContact O-CB 3.07Å; I686-D689 PolarHBondContact O-N 3.3Å; I686-L712 HydrophobicContact CG2-CD1 3.82Å; I686-L715 HydrophobicContact CG2-CD1 4.44Å; I686-L789 HydrophobicContact CD1-CD2 3.75Å; I686-I792 HydrophobicContact CD1-CG2 4.02Å; I686-W796 HydrophobicContact CG1-CD2 4.13Å; I686-W796 HydrophobicContact CG1-CE3 4.34Å; I686-W796 HydrophobicContact CG1-CG 4.34Å
687Y77.4Confident70.5Confident23 Ų2338.6 Ų38.69%0.0920%0.196CC..THydrogen-bonded Turntrans-70.3-7.6174.6-59-31.4000114.1D683 L715 N719 K785D683-Y687 HydrophobicContact CB-CD2 4.07Å; D683-Y687 HydrophobicContact CB-CE2 3.73Å; D683-Y687 VanDerWaalsContact O-CB 3.23Å; D683-Y687 WeakPolarHBondContact O-CB 3.45Å; D683-Y687 WeakPolarHBondContact O-CD2 3.45Å; D683-Y687 PolarHBondContact O-N 3.31Å; Y687-L715 HydrophobicContact CE1-CB 4.18Å; Y687-L715 VanDerWaalsContact CE1-O 3.28Å; Y687-L715 WeakPolarHBondContact CE1-O 3.47Å; Y687-N719 HydrophobicContact CD1-CB 3.49Å; Y687-N719 VanDerWaalsContact CD1-CB 3.49Å; Y687-N719 HydrophobicContact CD2-CB 3.93Å; Y687-N719 HydrophobicContact CE1-CB 3.72Å; Y687-N719 HydrophobicContact CE2-CB 4.15Å; Y687-N719 HydrophobicContact CG-CB 3.61Å; Y687-K785 VanDerWaalsContact OH-CE 3.22Å; Y687-K785 WeakPolarHBondContact OH-CE 3.44Å; Y687-K785 PolarHBondContact OH-NZ 2.97Å
688S80.4Confident73.4Confident4 Ų433.2 Ų33.23%0.02816%0.163CC..Hα-helixtrans-84.9-13.7172.976.20000113.9V32 I684 T685 I686 I691 A692V32-S688 WeakPolarHBondContact CB-OG 3.43Å; V32-S688 PolarHBondContact N-OG 3.32Å; V32-S688 VanDerWaalsContact N-OG 3.16Å; I684-S688 WeakPolarHBondContact O-CB 3.22Å; I684-S688 PolarHBondContact O-N 2.9Å; I684-S688 VanDerWaalsContact O-N 3.13Å; T685-S688 WeakPolarHBondContact O-CB 3.4Å; T685-S688 PolarHBondContact O-N 3.37Å; T685-S688 VanDerWaalsContact O-N 3.1Å; T685-S688 PolarHBondContact O-OG 2.85Å; I686-S688 PolarHBondContact O-N 3.09Å; S688-I691 WeakPolarHBondContact O-CB 3.35Å; S688-I691 PolarHBondContact O-N 3.41Å; S688-A692 WeakPolarHBondContact O-CB 3.43Å; S688-A692 PolarHBondContact O-N 3.26Å
689D86.6Confident76Confident0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-59-48.7176.6171.171.8000112.8V32 I686 I691 A692 G693 G694 P695 F696 Q697 Q716V32-D689 HydrophobicContact CG2-CB 4.07Å; I686-D689 WeakPolarHBondContact O-CB 3.07Å; I686-D689 PolarHBondContact O-N 3.3Å; D689-I691 VanDerWaalsContact C-N 3.33Å; D689-I691 PolarHBondContact O-N 2.89Å; D689-A692 CarbonylContact O-C 3.37Å; D689-A692 PolarHBondContact O-N 3.48Å; D689-A692 VanDerWaalsContact O-N 3.1Å; D689-G693 PolarHBondContact O-N 3.45Å; D689-G694 WeakPolarHBondContact O-CA 3.31Å; D689-G694 PolarHBondContact O-N 2.81Å; D689-G694 VanDerWaalsContact OD1-CA 3.27Å; D689-G694 WeakPolarHBondContact OD1-CA 3.36Å; D689-P695 WeakPolarHBondContact OD1-CD 3.43Å; D689-P695 VanDerWaalsContact OD1-N 3.16Å; D689-F696 HydrophobicContact CB-CB 4.46Å; D689-F696 WeakPolarHBondContact OD1-CA 3.3Å; D689-F696 WeakPolarHBondContact OD1-CB 3.42Å; D689-F696 PolarHBondContact OD1-N 2.91Å; D689-Q697 PolarHBondContact OD1-N 3.01Å; D689-Q716 PolarHBondContact OD2-NE2 2.96Å
690S82.3Confident78.4Confident28 Ų2830 Ų3020%0.19614%0.142CC..Hα-helixtrans-64.3-38.6178600000112.1A692 G693S690-A692 PolarHBondContact O-N 3.31Å; S690-G693 PolarHBondContact O-N 3.49Å; S690-G693 VanDerWaalsContact O-N 3.16Å
691I81.8Confident80.5Confident30 Ų3023.9 Ų23.915%0.15412%0.121CC..Hα-helixtrans-61-37174.7-45175.5000110.5S87 D88 S688 D689 G693S87-I691 CarbonylContact C-O 3.55Å; S87-I691 VanDerWaalsContact CA-O 3.25Å; S87-I691 WeakPolarHBondContact CA-O 3.33Å; S87-I691 WeakPolarHBondContact CB-O 3.32Å; D88-I691 HydrophobicContact CB-CG2 3.94Å; D88-I691 PolarHBondContact N-O 3.13Å; S688-I691 WeakPolarHBondContact O-CB 3.35Å; S688-I691 PolarHBondContact O-N 3.41Å; D689-I691 VanDerWaalsContact C-N 3.33Å; D689-I691 PolarHBondContact O-N 2.89Å; I691-G693 VanDerWaalsContact C-N 3.31Å; I691-G693 PolarHBondContact O-N 2.88Å
692A86Confident82.2Confident0 Ų026 Ų260%013%0.125CC..THydrogen-bonded Turntrans-83.12.9179.500000114.5F27 L30 V32 Y83 S688 D689 S690 P695F27-A692 HydrophobicContact CE2-CB 4.21Å; L30-A692 HydrophobicContact CD1-CB 3.87Å; V32-A692 HydrophobicContact CB-CB 4.3Å; V32-A692 HydrophobicContact CG1-CB 3.64Å; Y83-A692 CarbonylContact C-O 3.55Å; Y83-A692 VanDerWaalsContact O-O 3.12Å; S688-A692 WeakPolarHBondContact O-CB 3.43Å; S688-A692 PolarHBondContact O-N 3.26Å; D689-A692 CarbonylContact O-C 3.37Å; D689-A692 PolarHBondContact O-N 3.48Å; D689-A692 VanDerWaalsContact O-N 3.1Å; S690-A692 PolarHBondContact O-N 3.31Å; A692-P695 HydrophobicContact CB-CG 4.14Å
693G83.9Confident83.8Confident7 Ų729 Ų297%0.07214%0.143CC..THydrogen-bonded Turntrans8513.2179.600000115R86 D689 S690 I691R86-G693 PolarHBondContact NE-O 2.94Å; D689-G693 PolarHBondContact O-N 3.45Å; S690-G693 PolarHBondContact O-N 3.49Å; S690-G693 VanDerWaalsContact O-N 3.16Å; I691-G693 VanDerWaalsContact C-N 3.31Å; I691-G693 PolarHBondContact O-N 2.88Å
694G89.3Confident85.2Confident1 Ų134.5 Ų34.51%0.0117%0.172CC..SBendtrans8443.9172.300000116.9D689 S698D689-G694 WeakPolarHBondContact O-CA 3.31Å; D689-G694 PolarHBondContact O-N 2.81Å; D689-G694 VanDerWaalsContact OD1-CA 3.27Å; D689-G694 WeakPolarHBondContact OD1-CA 3.36Å; G694-S698 VanDerWaalsContact O-CB 3.27Å; G694-S698 WeakPolarHBondContact O-CB 3.25Å; G694-S698 PolarHBondContact O-N 3.17Å; G694-S698 PolarHBondContact O-OG 3.21Å
695P90.8Very high86.5Confident3 Ų331.6 Ų31.62%0.01916%0.157CC..Hα-helixtrans-66.5-34.8177.530.3-37000113.7V32 F33 Y83 D689 A692 Y699V32-P695 HydrophobicContact CG1-CG 4.08Å; V32-P695 HydrophobicContact CG2-CG 3.71Å; F33-P695 HydrophobicContact CE1-CB 4.19Å; F33-P695 HydrophobicContact CE1-CG 4.09Å; F33-P695 HydrophobicContact CZ-CG 4.38Å; Y83-P695 HydrophobicContact CD1-CB 4.03Å; Y83-P695 HydrophobicContact CD2-CB 3.9Å; Y83-P695 HydrophobicContact CE1-CB 4.21Å; Y83-P695 HydrophobicContact CE2-CB 4.06Å; Y83-P695 HydrophobicContact CG-CB 3.88Å; D689-P695 WeakPolarHBondContact OD1-CD 3.43Å; D689-P695 VanDerWaalsContact OD1-N 3.16Å; A692-P695 HydrophobicContact CB-CG 4.14Å; P695-Y699 PolarHBondContact O-N 3.28Å
696F92.3Very high87.4Confident0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-77.6-39.1173.7173.6-129.5000111.3D689 S698 Y699 L700 L712 I792 F795 W796 Y799D689-F696 HydrophobicContact CB-CB 4.46Å; D689-F696 WeakPolarHBondContact OD1-CA 3.3Å; D689-F696 WeakPolarHBondContact OD1-CB 3.42Å; D689-F696 PolarHBondContact OD1-N 2.91Å; F696-S698 PolarHBondContact O-N 2.8Å; F696-Y699 HydrophobicContact CD2-CD1 4.09Å; F696-Y699 HydrophobicContact CE2-CD1 4.17Å; F696-Y699 WeakPolarHBondContact O-CB 3.23Å; F696-Y699 PolarHBondContact O-N 3.34Å; F696-L700 HydrophobicContact CD1-CD1 4.44Å; F696-L700 HydrophobicContact CD2-CG 4.21Å; F696-L700 HydrophobicContact CE1-CD1 4.02Å; F696-L700 HydrophobicContact CE2-CD1 4.16Å; F696-L700 HydrophobicContact CE2-CD2 3.76Å; F696-L700 HydrophobicContact CE2-CG 3.86Å; F696-L700 HydrophobicContact CZ-CD1 3.87Å; F696-L700 HydrophobicContact CZ-CD2 3.99Å; F696-L700 HydrophobicContact CZ-CG 4.08Å; F696-L700 WeakPolarHBondContact O-CG 3.27Å; F696-L700 PolarHBondContact O-N 2.97Å; F696-L712 HydrophobicContact CD1-CD1 4.08Å; F696-L712 HydrophobicContact CD1-CD2 3.78Å; F696-L712 HydrophobicContact CE1-CD1 4.23Å; F696-L712 HydrophobicContact CE1-CD2 4.21Å; F696-I792 HydrophobicContact CE1-CD1 3.71Å; F696-I792 HydrophobicContact CE1-CG1 3.89Å; F696-I792 HydrophobicContact CZ-CD1 4.16Å; F696-I792 HydrophobicContact CZ-CG1 3.88Å; F696-F795 HydrophobicContact CE2-CB 4.45Å; F696-F795 HydrophobicContact CZ-CB 4.32Å; F696-W796 HydrophobicContact CB-CE3 4.19Å; F696-W796 HydrophobicContact CB-CZ3 3.69Å; F696-W796 AromaticContact CD1-CE3 3.5Å; F696-W796 HydrophobicContact CD1-CE3 3.5Å; F696-W796 VanDerWaalsContact CD1-CE3 3.5Å; F696-W796 AromaticContact CD1-CZ3 3.74Å; F696-W796 HydrophobicContact CD1-CZ3 3.74Å; F696-W796 HydrophobicContact CD2-CE3 4.03Å; F696-W796 HydrophobicContact CD2-CZ3 4.36Å; F696-W796 AromaticContact CE1-CE3 3.73Å; F696-W796 HydrophobicContact CE1-CE3 3.73Å; F696-W796 HydrophobicContact CE1-CZ3 4.43Å; F696-W796 HydrophobicContact CE2-CE3 4.24Å; F696-W796 AromaticContact CG-CE3 3.64Å; F696-W796 HydrophobicContact CG-CE3 3.64Å; F696-W796 AromaticContact CG-CZ3 3.68Å; F696-W796 HydrophobicContact CG-CZ3 3.68Å; F696-W796 HydrophobicContact CZ-CB 4.17Å; F696-W796 HydrophobicContact CZ-CE3 4.09Å; F696-Y799 HydrophobicContact CB-CD1 3.83Å; F696-Y799 HydrophobicContact CB-CE1 3.85Å; F696-Y799 HydrophobicContact CB-CG 4.22Å; F696-Y799 VanDerWaalsContact CD2-CB 3.48Å; F696-Y799 AromaticContact CD2-CD1 3.67Å; F696-Y799 HydrophobicContact CD2-CD1 3.67Å; F696-Y799 HydrophobicContact CD2-CD2 4.2Å; F696-Y799 AromaticContact CD2-CG 3.48Å; F696-Y799 HydrophobicContact CD2-CG 3.48Å; F696-Y799 VanDerWaalsContact CD2-CG 3.48Å; F696-Y799 HydrophobicContact CE2-CG 4.24Å; F696-Y799 HydrophobicContact CG-CD1 4Å; F696-Y799 HydrophobicContact CG-CG 4.23Å
697Q90.6Very high88Confident32 Ų3241.1 Ų41.115%0.1520%0.197CC..Hα-helixtrans-52.9-46.5168.6-170.6-169.6-35.600110.9D689 Y699 L700 E701 N709 L712D689-Q697 PolarHBondContact OD1-N 3.01Å; Q697-Y699 VanDerWaalsContact C-N 3.32Å; Q697-Y699 PolarHBondContact O-N 2.72Å; Q697-L700 PolarHBondContact O-N 3.42Å; Q697-E701 PolarHBondContact NE2-OE1 2.96Å; Q697-E701 WeakPolarHBondContact O-CG 3.49Å; Q697-E701 PolarHBondContact O-N 3.04Å; Q697-N709 WeakPolarHBondContact CG-OD1 3.4Å; Q697-L712 HydrophobicContact CB-CD2 3.73Å; Q697-L712 HydrophobicContact CG-CD2 4.24Å
698S90Very high88.7Confident9 Ų941 Ų416%0.06320%0.198CC..Hα-helixtrans-68.7-28.6179-55.90000112.8Y83 G694 F696 R702Y83-S698 WeakPolarHBondContact CE1-OG 3.28Å; G694-S698 VanDerWaalsContact O-CB 3.27Å; G694-S698 WeakPolarHBondContact O-CB 3.25Å; G694-S698 PolarHBondContact O-N 3.17Å; G694-S698 PolarHBondContact O-OG 3.21Å; F696-S698 PolarHBondContact O-N 2.8Å; S698-R702 VanDerWaalsContact O-CB 3.31Å; S698-R702 WeakPolarHBondContact O-CB 3.22Å; S698-R702 WeakPolarHBondContact O-CD 3.34Å; S698-R702 WeakPolarHBondContact O-CG 3.48Å; S698-R702 PolarHBondContact O-N 3.26Å
699Y92.1Very high89.2Confident25 Ų2541.9 Ų41.910%0.09820%0.202CC..Hα-helixtrans-68-43.5169.7171.2-92.8000111.9P695 F696 Q697 E701 R702 N703 Y799 F802P695-Y699 PolarHBondContact O-N 3.28Å; F696-Y699 HydrophobicContact CD2-CD1 4.09Å; F696-Y699 HydrophobicContact CE2-CD1 4.17Å; F696-Y699 WeakPolarHBondContact O-CB 3.23Å; F696-Y699 PolarHBondContact O-N 3.34Å; Q697-Y699 VanDerWaalsContact C-N 3.32Å; Q697-Y699 PolarHBondContact O-N 2.72Å; Y699-E701 VanDerWaalsContact C-N 3.33Å; Y699-E701 PolarHBondContact O-N 3.34Å; Y699-R702 PolarHBondContact O-N 2.84Å; Y699-N703 WeakPolarHBondContact CE2-ND2 3.4Å; Y699-N703 PolarHBondContact O-N 3.19Å; Y699-N703 PolarHBondContact O-ND2 3.36Å; Y699-Y799 HydrophobicContact CD1-CD2 4.11Å; Y699-Y799 HydrophobicContact CD1-CG 4.27Å; Y699-Y799 AromaticContact CD2-CD2 3.96Å; Y699-Y799 HydrophobicContact CD2-CD2 3.96Å; Y699-Y799 AromaticContact CG-CD2 3.62Å; Y699-Y799 HydrophobicContact CG-CD2 3.62Å; Y699-Y799 HydrophobicContact CG-CG 4.24Å; Y699-F802 AromaticContact CD2-CD1 3.75Å; Y699-F802 HydrophobicContact CD2-CD1 3.75Å; Y699-F802 HydrophobicContact CD2-CE1 4.18Å; Y699-F802 HydrophobicContact CD2-CG 4.17Å; Y699-F802 HydrophobicContact CE2-CB 3.89Å; Y699-F802 AromaticContact CE2-CD1 3.86Å; Y699-F802 HydrophobicContact CE2-CD1 3.86Å; Y699-F802 HydrophobicContact CE2-CD2 4.38Å; Y699-F802 AromaticContact CE2-CG 3.78Å; Y699-F802 HydrophobicContact CE2-CG 3.78Å
700L91.7Very high89.4Confident0 Ų044.1 Ų44.10%021%0.21CC..Hα-helixtrans-63.1-41.3175.4-63175.5000111.2F696 Q697 N703 D704 L705 Q708 N709 L712 I792 F795F696-L700 HydrophobicContact CD1-CD1 4.44Å; F696-L700 HydrophobicContact CD2-CG 4.21Å; F696-L700 HydrophobicContact CE1-CD1 4.02Å; F696-L700 HydrophobicContact CE2-CD1 4.16Å; F696-L700 HydrophobicContact CE2-CD2 3.76Å; F696-L700 HydrophobicContact CE2-CG 3.86Å; F696-L700 HydrophobicContact CZ-CD1 3.87Å; F696-L700 HydrophobicContact CZ-CD2 3.99Å; F696-L700 HydrophobicContact CZ-CG 4.08Å; F696-L700 WeakPolarHBondContact O-CG 3.27Å; F696-L700 PolarHBondContact O-N 2.97Å; Q697-L700 PolarHBondContact O-N 3.42Å; L700-N703 PolarHBondContact O-N 3.43Å; L700-D704 PolarHBondContact O-N 2.86Å; L700-L705 HydrophobicContact CB-CB 4.24Å; L700-L705 HydrophobicContact CD2-CB 4.08Å; L700-L705 HydrophobicContact CD2-CD1 3.69Å; L700-L705 PolarHBondContact O-N 3.08Å; L700-Q708 HydrophobicContact CD1-CB 4.06Å; L700-Q708 HydrophobicContact CD2-CB 3.95Å; L700-N709 HydrophobicContact CB-CB 4.36Å; L700-L712 HydrophobicContact CD1-CB 4.32Å; L700-L712 HydrophobicContact CD1-CD2 3.91Å; L700-I792 HydrophobicContact CD1-CD1 4.44Å; L700-F795 HydrophobicContact CD2-CB 4.16Å
701E90.7Very high89.8Confident86 Ų8642.8 Ų42.840%0.40220%0.201SC..Hα-helixtrans-65-39.1175.5-71.6170.2-179.700112.7Q697 Y699 N703 D704 N709Q697-E701 PolarHBondContact NE2-OE1 2.96Å; Q697-E701 WeakPolarHBondContact O-CG 3.49Å; Q697-E701 PolarHBondContact O-N 3.04Å; Y699-E701 VanDerWaalsContact C-N 3.33Å; Y699-E701 PolarHBondContact O-N 3.34Å; E701-N703 PolarHBondContact O-N 2.89Å; E701-D704 PolarHBondContact O-N 3.38Å; E701-N709 WeakPolarHBondContact CG-ND2 3.18Å; E701-N709 PolarHBondContact OE1-ND2 3.31Å
702R90.3Very high90.1Very high131 Ų13141.3 Ų41.349%0.49419%0.194SC..Hα-helixtrans-68-13.1175-76.3170-176.6-1666114.2E79 Y83 S698 Y699E79-R702 VanDerWaalsContact CD-NH1 3.34Å; E79-R702 IonicContact OE1-CZ 2.75Å; E79-R702 IonicContact OE1-NH1 3.83Å; E79-R702 PolarHBondContact OE1-NH1 3.05Å; E79-R702 IonicContact OE1-NH2 3.19Å; E79-R702 IonicContact OE2-CZ 2.67Å; E79-R702 IonicContact OE2-NH1 2.96Å; E79-R702 PolarHBondContact OE2-NH1 3.23Å; E79-R702 IonicContact OE2-NH2 2.75Å; E79-R702 PolarHBondContact OE2-NH2 3.47Å; Y83-R702 PolarHBondContact OH-NH2 2.7Å; S698-R702 VanDerWaalsContact O-CB 3.31Å; S698-R702 WeakPolarHBondContact O-CB 3.22Å; S698-R702 WeakPolarHBondContact O-CD 3.34Å; S698-R702 WeakPolarHBondContact O-CG 3.48Å; S698-R702 PolarHBondContact O-N 3.26Å; Y699-R702 PolarHBondContact O-N 2.84Å
703N91.5Very high90.2Very high82 Ų8241.7 Ų41.744%0.43920%0.197SC..THydrogen-bonded Turntrans-116.215.1-179.7-68.7-79.5000112.9Y699 L700 E701 L705Y699-N703 WeakPolarHBondContact CE2-ND2 3.4Å; Y699-N703 PolarHBondContact O-N 3.19Å; Y699-N703 PolarHBondContact O-ND2 3.36Å; L700-N703 PolarHBondContact O-N 3.43Å; E701-N703 PolarHBondContact O-N 2.89Å; N703-L705 HydrophobicContact CB-CD1 4.03Å; N703-L705 HydrophobicContact CB-CG 3.98Å; N703-L705 PolarHBondContact O-N 2.93Å; N703-L705 VanDerWaalsContact O-N 3.11Å
704D90.8Very high90.6Very high148 Ų14841.3 Ų41.379%0.79119%0.194SC*.THydrogen-bonded Turntrans5622.9-177.8-60.2-48.6000114.9L700 E701 E706L700-D704 PolarHBondContact O-N 2.86Å; E701-D704 PolarHBondContact O-N 3.38Å; D704-E706 PolarHBondContact O-N 3.36Å
705L90.8Very high90.6Very high40 Ų4041.3 Ų41.321%0.20919%0.193CC..  trans-80.659.8-176.8-65.2175.5000112.1L700 N703 R707 Q708 N709 F795L700-L705 HydrophobicContact CB-CB 4.24Å; L700-L705 HydrophobicContact CD2-CB 4.08Å; L700-L705 HydrophobicContact CD2-CD1 3.69Å; L700-L705 PolarHBondContact O-N 3.08Å; N703-L705 HydrophobicContact CB-CD1 4.03Å; N703-L705 HydrophobicContact CB-CG 3.98Å; N703-L705 PolarHBondContact O-N 2.93Å; N703-L705 VanDerWaalsContact O-N 3.11Å; L705-R707 VanDerWaalsContact C-N 3.33Å; L705-R707 PolarHBondContact O-N 3.48Å; L705-Q708 HydrophobicContact CB-CB 4.33Å; L705-Q708 PolarHBondContact O-N 3.1Å; L705-N709 PolarHBondContact O-N 3.15Å; L705-F795 HydrophobicContact CD1-CD1 3.63Å; L705-F795 HydrophobicContact CD1-CE1 3.96Å; L705-F795 HydrophobicContact CD2-CE1 4.06Å
706E88.8Confident90.4Very high133 Ų13341.4 Ų41.462%0.62119%0.193SC*.Hα-helixtrans-53.9-45.1-174.1-71.6-159.6155.700113.2D704 Q708 N709 R710D704-E706 PolarHBondContact O-N 3.36Å; E706-Q708 VanDerWaalsContact C-N 3.35Å; E706-Q708 PolarHBondContact O-N 3.1Å; E706-N709 WeakPolarHBondContact O-CB 3.32Å; E706-N709 PolarHBondContact O-N 3.36Å; E706-R710 WeakPolarHBondContact O-CG 3.36Å; E706-R710 PolarHBondContact O-N 2.86Å; E706-R710 IonicContact OE2-CZ 3.09Å; E706-R710 IonicContact OE2-NH1 3.08Å; E706-R710 PolarHBondContact OE2-NH1 3.41Å
707R90.6Very high90.1Very high81 Ų8142 Ų4231%0.30620%0.199SC..Hα-helixtrans-66.3-39.8-174.3-175.2163.7-178.4-96.5-6.4111.4L705 N709 R710 I711 I755 E791L705-R707 VanDerWaalsContact C-N 3.33Å; L705-R707 PolarHBondContact O-N 3.48Å; R707-N709 VanDerWaalsContact C-N 3.33Å; R707-R710 WeakPolarHBondContact O-CB 3.15Å; R707-R710 PolarHBondContact O-N 3.22Å; R707-I711 HydrophobicContact CG-CD1 4.3Å; R707-I711 WeakPolarHBondContact O-CG1 3.38Å; R707-I711 PolarHBondContact O-N 3.47Å; R707-I755 VanDerWaalsContact CZ-O 3.26Å; R707-I755 PolarHBondContact NE-O 2.74Å; R707-I755 PolarHBondContact NH2-O 3.36Å; R707-E791 IonicContact CZ-OE1 2.95Å; R707-E791 IonicContact CZ-OE2 3.85Å; R707-E791 IonicContact NH1-OE1 3.28Å; R707-E791 PolarHBondContact NH1-OE1 3.24Å; R707-E791 IonicContact NH1-OE2 2.65Å; R707-E791 PolarHBondContact NH1-OE2 3.37Å; R707-E791 IonicContact NH2-OE2 2.81Å; R707-E791 PolarHBondContact NH2-OE2 3.4Å
708Q91.8Very high89.9Confident22 Ų2240.6 Ų40.610%0.10319%0.192CC..Hα-helixtrans-68.4-34175.6-67.965.240.100111L700 L705 E706 I711 L712 E791 F795L700-Q708 HydrophobicContact CD1-CB 4.06Å; L700-Q708 HydrophobicContact CD2-CB 3.95Å; L705-Q708 HydrophobicContact CB-CB 4.33Å; L705-Q708 PolarHBondContact O-N 3.1Å; E706-Q708 VanDerWaalsContact C-N 3.35Å; E706-Q708 PolarHBondContact O-N 3.1Å; Q708-I711 PolarHBondContact O-N 3.47Å; Q708-L712 WeakPolarHBondContact O-CB 3.2Å; Q708-L712 PolarHBondContact O-N 3.39Å; Q708-E791 PolarHBondContact NE2-OE1 3.12Å; Q708-F795 HydrophobicContact CG-CD1 4.39Å; Q708-F795 HydrophobicContact CG-CD2 3.56Å; Q708-F795 HydrophobicContact CG-CE1 4.33Å; Q708-F795 HydrophobicContact CG-CE2 3.5Å; Q708-F795 VanDerWaalsContact CG-CE2 3.5Å; Q708-F795 HydrophobicContact CG-CG 4.01Å; Q708-F795 HydrophobicContact CG-CZ 3.9Å
709N89.9Confident89.6Confident22 Ų2240.7 Ų40.712%0.11819%0.192CC..Hα-helixtrans-66.4-40.8170.8-168.84.6000111.9Q697 L700 E701 L705 E706 R707 I711 L712 G713Q697-N709 WeakPolarHBondContact CG-OD1 3.4Å; L700-N709 HydrophobicContact CB-CB 4.36Å; E701-N709 WeakPolarHBondContact CG-ND2 3.18Å; E701-N709 PolarHBondContact OE1-ND2 3.31Å; L705-N709 PolarHBondContact O-N 3.15Å; E706-N709 WeakPolarHBondContact O-CB 3.32Å; E706-N709 PolarHBondContact O-N 3.36Å; R707-N709 VanDerWaalsContact C-N 3.33Å; N709-I711 VanDerWaalsContact C-N 3.32Å; N709-I711 PolarHBondContact O-N 3.42Å; N709-L712 PolarHBondContact O-N 3.19Å; N709-G713 PolarHBondContact O-N 2.98Å
710R90.4Very high88.9Confident46 Ų4641.5 Ų41.517%0.17420%0.198CC..Hα-helixtrans-59-42.4172-67.2-166.5-71.9-96.315.5111.7E706 R707 G713 F714 W753 C754 I755E706-R710 WeakPolarHBondContact O-CG 3.36Å; E706-R710 PolarHBondContact O-N 2.86Å; E706-R710 IonicContact OE2-CZ 3.09Å; E706-R710 IonicContact OE2-NH1 3.08Å; E706-R710 PolarHBondContact OE2-NH1 3.41Å; R707-R710 WeakPolarHBondContact O-CB 3.15Å; R707-R710 PolarHBondContact O-N 3.22Å; R710-G713 PolarHBondContact O-N 3.06Å; R710-F714 PolarHBondContact O-N 3.3Å; R710-W753 HydrophobicContact CG-CB 4.47Å; R710-W753 HydrophobicContact CG-CE3 4.26Å; R710-C754 VanDerWaalsContact CD-O 3.23Å; R710-C754 WeakPolarHBondContact CD-O 3.28Å; R710-C754 PolarHBondContact NE-O 3.22Å; R710-I755 HydrophobicContact CB-CG1 4.2Å
711I90.8Very high88.4Confident0 Ų041.9 Ų41.90%020%0.199CC..Hα-helixtrans-63.1-47.4174.3-70.2165000111.6R707 Q708 N709 G713 F714 L715 I755 C788 E791 I792R707-I711 HydrophobicContact CG-CD1 4.3Å; R707-I711 WeakPolarHBondContact O-CG1 3.38Å; R707-I711 PolarHBondContact O-N 3.47Å; Q708-I711 PolarHBondContact O-N 3.47Å; N709-I711 VanDerWaalsContact C-N 3.32Å; N709-I711 PolarHBondContact O-N 3.42Å; I711-G713 VanDerWaalsContact C-N 3.34Å; I711-G713 PolarHBondContact O-N 3.41Å; I711-F714 WeakPolarHBondContact O-CB 3.35Å; I711-F714 PolarHBondContact O-N 3.31Å; I711-L715 HydrophobicContact CG2-CD1 3.94Å; I711-L715 HydrophobicContact CG2-CG 4.39Å; I711-L715 WeakPolarHBondContact O-CG 3.46Å; I711-L715 PolarHBondContact O-N 3.48Å; I711-I755 HydrophobicContact CD1-CG2 4.11Å; I711-I755 HydrophobicContact CG1-CB 4.41Å; I711-I755 HydrophobicContact CG1-CD1 4.21Å; I711-I755 HydrophobicContact CG1-CG1 4.07Å; I711-I755 HydrophobicContact CG1-CG2 3.51Å; I711-C788 HydrophobicContact CG2-CB 3.7Å; I711-C788 WeakPolarHBondContact CG2-O 3.49Å; I711-E791 HydrophobicContact CD1-CB 4.36Å; I711-E791 HydrophobicContact CD1-CG 4.12Å; I711-E791 VanDerWaalsContact CD1-OE1 3.25Å; I711-E791 WeakPolarHBondContact CD1-OE1 3.45Å; I711-I792 HydrophobicContact CG2-CB 4.17Å; I711-I792 HydrophobicContact CG2-CD1 4.15Å
712L89.7Confident87.8Confident0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-58.9-45177.4-175.258.2000111.5I686 F696 Q697 L700 Q708 N709 F714 L715 Q716 I792I686-L712 HydrophobicContact CG2-CD1 3.82Å; F696-L712 HydrophobicContact CD1-CD1 4.08Å; F696-L712 HydrophobicContact CD1-CD2 3.78Å; F696-L712 HydrophobicContact CE1-CD1 4.23Å; F696-L712 HydrophobicContact CE1-CD2 4.21Å; Q697-L712 HydrophobicContact CB-CD2 3.73Å; Q697-L712 HydrophobicContact CG-CD2 4.24Å; L700-L712 HydrophobicContact CD1-CB 4.32Å; L700-L712 HydrophobicContact CD1-CD2 3.91Å; Q708-L712 WeakPolarHBondContact O-CB 3.2Å; Q708-L712 PolarHBondContact O-N 3.39Å; N709-L712 PolarHBondContact O-N 3.19Å; L712-F714 VanDerWaalsContact C-N 3.3Å; L712-F714 PolarHBondContact O-N 3.14Å; L712-L715 PolarHBondContact O-N 3.49Å; L712-Q716 HydrophobicContact CD1-CG 4.43Å; L712-Q716 HydrophobicContact CG-CG 4.46Å; L712-Q716 WeakPolarHBondContact O-CB 3.49Å; L712-Q716 VanDerWaalsContact O-CG 3.27Å; L712-Q716 WeakPolarHBondContact O-CG 3.43Å; L712-Q716 PolarHBondContact O-N 3.03Å; L712-I792 HydrophobicContact CB-CD1 3.75Å; L712-I792 HydrophobicContact CD1-CD1 4.1Å; L712-I792 HydrophobicContact CG-CD1 4.44Å
713G88.3Confident86.8Confident7 Ų738.5 Ų38.57%0.07219%0.188CC..Hα-helixtrans-60.7-35.2176.800000113.8N709 R710 I711 A717N709-G713 PolarHBondContact O-N 2.98Å; R710-G713 PolarHBondContact O-N 3.06Å; I711-G713 VanDerWaalsContact C-N 3.34Å; I711-G713 PolarHBondContact O-N 3.41Å; G713-A717 VanDerWaalsContact O-CB 3.27Å; G713-A717 WeakPolarHBondContact O-CB 3.31Å; G713-A717 PolarHBondContact O-N 3.14Å
714F90.6Very high85.6Confident0 Ų037.4 Ų37.40%018%0.181CC..Hα-helixtrans-71-45.7173.6166.7-103.9000112.5R710 I711 L712 Q716 A717 I718 I742 F746 L747 I755 F781 V784 C788R710-F714 PolarHBondContact O-N 3.3Å; I711-F714 WeakPolarHBondContact O-CB 3.35Å; I711-F714 PolarHBondContact O-N 3.31Å; L712-F714 VanDerWaalsContact C-N 3.3Å; L712-F714 PolarHBondContact O-N 3.14Å; F714-Q716 PolarHBondContact O-N 3.36Å; F714-A717 PolarHBondContact O-N 3.49Å; F714-A717 VanDerWaalsContact O-N 3.17Å; F714-I718 HydrophobicContact CD1-CD1 4.11Å; F714-I718 HydrophobicContact CD2-CD1 4.25Å; F714-I718 HydrophobicContact CE1-CD1 3.56Å; F714-I718 HydrophobicContact CE2-CD1 3.72Å; F714-I718 HydrophobicContact CE2-CG1 4.35Å; F714-I718 HydrophobicContact CG-CD1 4.44Å; F714-I718 HydrophobicContact CZ-CD1 3.35Å; F714-I718 HydrophobicContact CZ-CG1 4.43Å; F714-I718 PolarHBondContact O-N 2.79Å; F714-I742 HydrophobicContact CD2-CG2 3.81Å; F714-I742 HydrophobicContact CE2-CG2 3.69Å; F714-F746 HydrophobicContact CB-CB 4.06Å; F714-F746 HydrophobicContact CB-CD1 3.77Å; F714-F746 HydrophobicContact CB-CD2 4.22Å; F714-F746 HydrophobicContact CB-CE1 4.22Å; F714-F746 HydrophobicContact CB-CG 3.77Å; F714-F746 HydrophobicContact CD2-CB 3.69Å; F714-F746 HydrophobicContact CD2-CD2 4.2Å; F714-F746 HydrophobicContact CD2-CG 4.04Å; F714-F746 HydrophobicContact CG-CB 4.24Å; F714-F746 HydrophobicContact CG-CG 4.38Å; F714-L747 HydrophobicContact CD2-CD2 4.37Å; F714-L747 HydrophobicContact CE2-CD1 4.35Å; F714-L747 HydrophobicContact CE2-CD2 3.68Å; F714-L747 HydrophobicContact CE2-CG 4.09Å; F714-L747 HydrophobicContact CZ-CD2 3.99Å; F714-I755 HydrophobicContact CB-CD1 3.4Å; F714-I755 HydrophobicContact CD1-CD1 3.87Å; F714-I755 HydrophobicContact CD2-CD1 4.3Å; F714-I755 HydrophobicContact CG-CD1 3.63Å; F714-F781 HydrophobicContact CE2-CD1 4.49Å; F714-V784 HydrophobicContact CE1-CG1 3.74Å; F714-V784 HydrophobicContact CZ-CB 4.19Å; F714-V784 HydrophobicContact CZ-CG1 3.56Å; F714-C788 HydrophobicContact CD1-CB 4.41Å; F714-C788 HydrophobicContact CE1-CB 4.4Å
715L89.3Confident84.4Confident0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-60.5-44.8175.9-70.9173.4000111.3I686 Y687 I711 L712 I718 N719 K785 C788 L789 I792I686-L715 HydrophobicContact CG2-CD1 4.44Å; Y687-L715 HydrophobicContact CE1-CB 4.18Å; Y687-L715 VanDerWaalsContact CE1-O 3.28Å; Y687-L715 WeakPolarHBondContact CE1-O 3.47Å; I711-L715 HydrophobicContact CG2-CD1 3.94Å; I711-L715 HydrophobicContact CG2-CG 4.39Å; I711-L715 WeakPolarHBondContact O-CG 3.46Å; I711-L715 PolarHBondContact O-N 3.48Å; L712-L715 PolarHBondContact O-N 3.49Å; L715-I718 PolarHBondContact O-N 3.31Å; L715-N719 PolarHBondContact O-N 2.7Å; L715-N719 VanDerWaalsContact O-N 3.08Å; L715-K785 HydrophobicContact CD2-CB 4.48Å; L715-K785 HydrophobicContact CD2-CG 3.94Å; L715-C788 HydrophobicContact CD1-CB 4.32Å; L715-C788 HydrophobicContact CD2-CB 3.96Å; L715-C788 HydrophobicContact CG-CB 4.19Å; L715-L789 HydrophobicContact CD1-CD2 4.07Å; L715-L789 HydrophobicContact CD2-CD2 4.32Å; L715-L789 HydrophobicContact CD2-CG 4.25Å; L715-I792 HydrophobicContact CD1-CD1 4.46Å; L715-I792 HydrophobicContact CD1-CG2 3.97Å
716Q87.7Confident82.8Confident5 Ų537.4 Ų37.42%0.02318%0.18CC..Hα-helixtrans-57.4-47.8171.5-731760.600111.4D689 L712 F714 I718 N719 D720D689-Q716 PolarHBondContact OD2-NE2 2.96Å; L712-Q716 HydrophobicContact CD1-CG 4.43Å; L712-Q716 HydrophobicContact CG-CG 4.46Å; L712-Q716 WeakPolarHBondContact O-CB 3.49Å; L712-Q716 VanDerWaalsContact O-CG 3.27Å; L712-Q716 WeakPolarHBondContact O-CG 3.43Å; L712-Q716 PolarHBondContact O-N 3.03Å; F714-Q716 PolarHBondContact O-N 3.36Å; Q716-I718 VanDerWaalsContact C-N 3.35Å; Q716-I718 PolarHBondContact O-N 3.27Å; Q716-N719 PolarHBondContact O-N 2.94Å; Q716-D720 PolarHBondContact O-N 3.09Å
717A85.8Confident81.2Confident13 Ų1333 Ų3311%0.10716%0.164CC..Hα-helixtrans-65.2-33.7-178.600000113.5G713 F714 Y721 I742 F746G713-A717 VanDerWaalsContact O-CB 3.27Å; G713-A717 WeakPolarHBondContact O-CB 3.31Å; G713-A717 PolarHBondContact O-N 3.14Å; F714-A717 PolarHBondContact O-N 3.49Å; F714-A717 VanDerWaalsContact O-N 3.17Å; A717-Y721 WeakPolarHBondContact O-CB 3.02Å; A717-Y721 PolarHBondContact O-N 3.06Å; A717-Y721 VanDerWaalsContact O-N 3.07Å; A717-I742 HydrophobicContact CB-CG1 4.11Å; A717-F746 HydrophobicContact CB-CE2 3.97Å
718I86.1Confident79.5Confident2 Ų237.8 Ų37.81%0.0120%0.195CC..Hα-helixtrans-64.7-49.9169.9-72.5169.9000110.2F714 L715 Q716 D720 Y721 S722 I742 V778 F781F714-I718 HydrophobicContact CD1-CD1 4.11Å; F714-I718 HydrophobicContact CD2-CD1 4.25Å; F714-I718 HydrophobicContact CE1-CD1 3.56Å; F714-I718 HydrophobicContact CE2-CD1 3.72Å; F714-I718 HydrophobicContact CE2-CG1 4.35Å; F714-I718 HydrophobicContact CG-CD1 4.44Å; F714-I718 HydrophobicContact CZ-CD1 3.35Å; F714-I718 HydrophobicContact CZ-CG1 4.43Å; F714-I718 PolarHBondContact O-N 2.79Å; L715-I718 PolarHBondContact O-N 3.31Å; Q716-I718 VanDerWaalsContact C-N 3.35Å; Q716-I718 PolarHBondContact O-N 3.27Å; I718-D720 VanDerWaalsContact C-N 3.31Å; I718-D720 PolarHBondContact O-N 3.14Å; I718-Y721 WeakPolarHBondContact O-CB 3.48Å; I718-Y721 PolarHBondContact O-N 3.49Å; I718-Y721 VanDerWaalsContact O-N 3.12Å; I718-S722 PolarHBondContact O-N 2.87Å; I718-S722 PolarHBondContact O-OG 3.04Å; I718-I742 HydrophobicContact CG1-CD1 4.42Å; I718-V778 HydrophobicContact CG2-CG1 4.24Å; I718-F781 HydrophobicContact CD1-CB 3.66Å; I718-F781 HydrophobicContact CD1-CD2 4.49Å; I718-F781 HydrophobicContact CD1-CG 4.02Å; I718-F781 HydrophobicContact CG1-CB 4.32Å; I718-F781 HydrophobicContact CG1-CD2 4.28Å; I718-F781 HydrophobicContact CG1-CG 4.29Å
719N83.1Confident77.5Confident12 Ų1243.4 Ų43.46%0.06422%0.223CC..Hα-helixtrans-59.7-39177.9153.684.7000112.4Y687 L715 Q716 S722 R723Y687-N719 HydrophobicContact CD1-CB 3.49Å; Y687-N719 VanDerWaalsContact CD1-CB 3.49Å; Y687-N719 HydrophobicContact CD2-CB 3.93Å; Y687-N719 HydrophobicContact CE1-CB 3.72Å; Y687-N719 HydrophobicContact CE2-CB 4.15Å; Y687-N719 HydrophobicContact CG-CB 3.61Å; L715-N719 PolarHBondContact O-N 2.7Å; L715-N719 VanDerWaalsContact O-N 3.08Å; Q716-N719 PolarHBondContact O-N 2.94Å; N719-S722 WeakPolarHBondContact O-CB 3.31Å; N719-S722 PolarHBondContact O-N 2.89Å; N719-R723 PolarHBondContact ND2-NE 3.17Å; N719-R723 WeakPolarHBondContact O-CB 3.38Å; N719-R723 VanDerWaalsContact O-CG 3.26Å; N719-R723 WeakPolarHBondContact O-CG 3.26Å; N719-R723 PolarHBondContact O-N 3.04Å; N719-R723 PolarHBondContact OD1-NE 2.99Å; N719-R723 PolarHBondContact OD1-NH2 2.73Å
720D78.1Confident76Confident41 Ų4143.7 Ų43.722%0.21923%0.228CC..Hα-helixtrans-64.3-39.8175-74.7-7.8000111.9Q716 I718 Q724Q716-D720 PolarHBondContact O-N 3.09Å; I718-D720 VanDerWaalsContact C-N 3.31Å; I718-D720 PolarHBondContact O-N 3.14Å; D720-Q724 WeakPolarHBondContact O-CG 3.48Å; D720-Q724 PolarHBondContact O-N 2.6Å; D720-Q724 PolarHBondContact O-NE2 2.75Å; D720-Q724 VanDerWaalsContact O-NE2 3.17Å
721Y80.7Confident74.9Confident8 Ų845.8 Ų45.83%0.03124%0.243CC..Hα-helixtrans-65.2-44.4173.4175.2-108.4000111.8A717 I718 Q724 N725 K735 K738 I739 I742 T776 V778A717-Y721 WeakPolarHBondContact O-CB 3.02Å; A717-Y721 PolarHBondContact O-N 3.06Å; A717-Y721 VanDerWaalsContact O-N 3.07Å; I718-Y721 WeakPolarHBondContact O-CB 3.48Å; I718-Y721 PolarHBondContact O-N 3.49Å; I718-Y721 VanDerWaalsContact O-N 3.12Å; Y721-Q724 PolarHBondContact O-N 3.17Å; Y721-N725 WeakPolarHBondContact CE1-ND2 3.39Å; Y721-N725 PolarHBondContact O-N 2.86Å; Y721-N725 PolarHBondContact OH-ND2 2.85Å; Y721-N725 VanDerWaalsContact OH-ND2 3.07Å; Y721-K735 HydrophobicContact CE2-CB 4.22Å; Y721-K738 HydrophobicContact CD2-CB 4.1Å; Y721-I739 HydrophobicContact CD2-CG1 4.49Å; Y721-I739 HydrophobicContact CE1-CD1 4.47Å; Y721-I739 HydrophobicContact CE1-CG1 4.14Å; Y721-I739 HydrophobicContact CE2-CD1 4.14Å; Y721-I739 HydrophobicContact CE2-CG1 3.85Å; Y721-I739 WeakPolarHBondContact OH-CD1 3.17Å; Y721-I742 HydrophobicContact CG-CD1 4.46Å; Y721-T776 PolarHBondContact OH-O 3.02Å; Y721-V778 HydrophobicContact CD1-CG2 4.13Å; Y721-V778 HydrophobicContact CE1-CG2 3.9Å
722S78.9Confident74Confident36 Ų3650.9 Ų50.925%0.25226%0.262SS..Hα-helixtrans-57.3-49.7174.7-58.50000112I718 N719 Q724 N725 L726 V778I718-S722 PolarHBondContact O-N 2.87Å; I718-S722 PolarHBondContact O-OG 3.04Å; N719-S722 WeakPolarHBondContact O-CB 3.31Å; N719-S722 PolarHBondContact O-N 2.89Å; S722-Q724 VanDerWaalsContact C-N 3.29Å; S722-Q724 PolarHBondContact O-N 2.93Å; S722-N725 WeakPolarHBondContact O-CB 3.36Å; S722-N725 PolarHBondContact O-N 2.84Å; S722-L726 WeakPolarHBondContact O-CD1 3.32Å; S722-V778 VanDerWaalsContact OG-CG1 3.24Å; S722-V778 WeakPolarHBondContact OG-CG1 3.29Å
723R69.3Low73.2Confident110 Ų11057.8 Ų57.842%0.41529%0.292SS..Hα-helixtrans-55.9-43178.4-75.5169.2-177.6-127.6-4.9112.3N719 N725 L726N719-R723 PolarHBondContact ND2-NE 3.17Å; N719-R723 WeakPolarHBondContact O-CB 3.38Å; N719-R723 VanDerWaalsContact O-CG 3.26Å; N719-R723 WeakPolarHBondContact O-CG 3.26Å; N719-R723 PolarHBondContact O-N 3.04Å; N719-R723 PolarHBondContact OD1-NE 2.99Å; N719-R723 PolarHBondContact OD1-NH2 2.73Å; R723-N725 VanDerWaalsContact C-N 3.3Å; R723-N725 PolarHBondContact O-N 2.96Å; R723-L726 PolarHBondContact O-N 3.44Å
724Q67Low72.5Confident59 Ų5960.6 Ų60.628%0.27631%0.308SS..Hα-helixtrans-73.9-22.6-179.9-65.8157.526.400112.5D720 Y721 S722 L726 S727D720-Q724 WeakPolarHBondContact O-CG 3.48Å; D720-Q724 PolarHBondContact O-N 2.6Å; D720-Q724 PolarHBondContact O-NE2 2.75Å; D720-Q724 VanDerWaalsContact O-NE2 3.17Å; Y721-Q724 PolarHBondContact O-N 3.17Å; S722-Q724 VanDerWaalsContact C-N 3.29Å; S722-Q724 PolarHBondContact O-N 2.93Å; Q724-L726 VanDerWaalsContact C-N 3.26Å; Q724-L726 PolarHBondContact O-N 3.4Å; Q724-S727 WeakPolarHBondContact O-CB 3.48Å; Q724-S727 PolarHBondContact O-N 2.82Å; Q724-S727 VanDerWaalsContact O-N 3.11Å
725N63.9Low71.8Confident42 Ų4263.2 Ų63.223%0.22532%0.32CS..Hα-helixtrans-68.3-21.4172.8-95-24000113.6Y721 S722 R723 S727 K735 V778Y721-N725 WeakPolarHBondContact CE1-ND2 3.39Å; Y721-N725 PolarHBondContact O-N 2.86Å; Y721-N725 PolarHBondContact OH-ND2 2.85Å; Y721-N725 VanDerWaalsContact OH-ND2 3.07Å; S722-N725 WeakPolarHBondContact O-CB 3.36Å; S722-N725 PolarHBondContact O-N 2.84Å; R723-N725 VanDerWaalsContact C-N 3.3Å; R723-N725 PolarHBondContact O-N 2.96Å; N725-S727 PolarHBondContact O-N 3.08Å; N725-K735 VanDerWaalsContact OD1-CD 3.24Å; N725-K735 WeakPolarHBondContact OD1-CD 3.23Å; N725-K735 WeakPolarHBondContact OD1-CE 3.34Å; N725-K735 PolarHBondContact OD1-NZ 3.37Å; N725-V778 WeakPolarHBondContact ND2-CG2 3.4Å
726L58.6Low71.3Confident147 Ų14765.3 Ų65.377%0.7733%0.33SS*.THydrogen-bonded Turntrans-69.3-19.5169-71.4100.3000113S722 R723 Q724 L728S722-L726 WeakPolarHBondContact O-CD1 3.32Å; R723-L726 PolarHBondContact O-N 3.44Å; Q724-L726 VanDerWaalsContact C-N 3.26Å; Q724-L726 PolarHBondContact O-N 3.4Å; L726-L728 PolarHBondContact O-N 2.85Å
727S55.3Low71Confident41 Ų4169.4 Ų69.429%0.28736%0.356SS..  trans-77.4110.8173.9-176.60000110.5Q724 N725 M729 A730Q724-S727 WeakPolarHBondContact O-CB 3.48Å; Q724-S727 PolarHBondContact O-N 2.82Å; Q724-S727 VanDerWaalsContact O-N 3.11Å; N725-S727 PolarHBondContact O-N 3.08Å; S727-M729 PolarHBondContact O-N 3.38Å; S727-M729 VanDerWaalsContact O-N 3.16Å; S727-A730 WeakPolarHBondContact O-CB 3.14Å; S727-A730 PolarHBondContact O-N 3.32Å; S727-A730 VanDerWaalsContact O-N 3.16Å
728L54.5Low70.8Confident180 Ų18071.6 Ų71.694%0.94236%0.363SS*.THydrogen-bonded Turntrans-57.7-24.6175.6-73.3164000113L726L726-L728 PolarHBondContact O-N 2.85Å
729M49.8Very low70.8Confident141 Ų14171.5 Ų71.570%0.69536%0.363SS*.THydrogen-bonded Turntrans-95.61.2-177.7-51.9-140.782.200113.8S727 N731S727-M729 PolarHBondContact O-N 3.38Å; S727-M729 VanDerWaalsContact O-N 3.16Å; M729-N731 PolarHBondContact O-N 2.9Å
730A58.7Low70.9Confident28 Ų2874.6 Ų74.623%0.23137%0.373CS..  trans-67.799.2179.100000111.4S727 R732 K735S727-A730 WeakPolarHBondContact O-CB 3.14Å; S727-A730 PolarHBondContact O-N 3.32Å; S727-A730 VanDerWaalsContact O-N 3.16Å; A730-R732 PolarHBondContact O-N 3.45Å; A730-K735 HydrophobicContact CB-CG 4.4Å; A730-K735 WeakPolarHBondContact O-CE 3.3Å
731N66.4Low71.3Confident90 Ų9076.4 Ų76.448%0.48138%0.378SS..  trans-45131.7-178.7-177.6-26.9000112.6M729 F733 T734 K735M729-N731 PolarHBondContact O-N 2.9Å; N731-F733 PolarHBondContact O-N 3.42Å; N731-F733 VanDerWaalsContact O-N 3.14Å; N731-F733 WeakPolarHBondContact OD1-CD2 3.27Å; N731-F733 PolarHBondContact OD1-N 3.38Å; N731-T734 WeakPolarHBondContact O-CA 3.33Å; N731-T734 VanDerWaalsContact O-CB 3.27Å; N731-T734 WeakPolarHBondContact O-CB 3.49Å; N731-T734 PolarHBondContact O-N 3.27Å; N731-K735 PolarHBondContact O-N 3Å
732R71.8Confident71.6Confident106 Ų10676.1 Ų76.140%0.438%0.377SS..Hα-helixtrans-42.2-46.3174.9175.5-172.6166.7167.35113.2A730 T734 K735 L736 K773 D774A730-R732 PolarHBondContact O-N 3.45Å; R732-T734 VanDerWaalsContact C-N 3.34Å; R732-T734 PolarHBondContact O-N 3.31Å; R732-K735 PolarHBondContact O-N 2.77Å; R732-L736 WeakPolarHBondContact O-CB 3.46Å; R732-L736 PolarHBondContact O-N 3.37Å; R732-K773 PolarHBondContact NE-O 3.03Å; R732-K773 VanDerWaalsContact NH2-C 3.33Å; R732-K773 PolarHBondContact NH2-O 2.79Å; R732-D774 IonicContact CZ-OD1 2.72Å; R732-D774 IonicContact CZ-OD2 2.74Å; R732-D774 IonicContact NH1-OD1 2.88Å; R732-D774 IonicContact NH1-OD2 2.92Å; R732-D774 PolarHBondContact NH1-OD2 2.81Å; R732-D774 IonicContact NH2-OD1 3.87Å; R732-D774 PolarHBondContact NH2-OD1 3.04Å; R732-D774 IonicContact NH2-OD2 3.26Å; R732-D774 PolarHBondContact NH2-OD2 2.78Å; R732-D774 VanDerWaalsContact NH2-OD2 3.08Å
733F72.8Confident72Confident146 Ų14674.5 Ų74.564%0.6437%0.365SS*.Hα-helixtrans-63.3-39.2179.7-70.5-75.6000112N731 T737N731-F733 PolarHBondContact O-N 3.42Å; N731-F733 VanDerWaalsContact O-N 3.14Å; N731-F733 WeakPolarHBondContact OD1-CD2 3.27Å; N731-F733 PolarHBondContact OD1-N 3.38Å; F733-T737 VanDerWaalsContact O-CB 3.26Å; F733-T737 WeakPolarHBondContact O-CB 3.31Å; F733-T737 PolarHBondContact O-N 2.71Å; F733-T737 PolarHBondContact O-OG1 2.99Å
734T74Confident72.9Confident65 Ų6572 Ų7240%0.39936%0.36SS..Hα-helixtrans-64.7-43.2174.5-51.70000111.7N731 R732 T737 K738N731-T734 WeakPolarHBondContact O-CA 3.33Å; N731-T734 VanDerWaalsContact O-CB 3.27Å; N731-T734 WeakPolarHBondContact O-CB 3.49Å; N731-T734 PolarHBondContact O-N 3.27Å; R732-T734 VanDerWaalsContact C-N 3.34Å; R732-T734 PolarHBondContact O-N 3.31Å; T734-T737 PolarHBondContact O-N 2.79Å; T734-K738 HydrophobicContact CG2-CD 4.36Å; T734-K738 WeakPolarHBondContact O-CG 3.31Å; T734-K738 PolarHBondContact O-N 3.34Å
735K75.6Confident73.9Confident56 Ų5671.2 Ų71.224%0.24336%0.358CS..Hα-helixtrans-60.1-50.8175.9-65.9-172.3174.6-154.20111.2Y721 N725 A730 N731 R732 T737 K738 I739Y721-K735 HydrophobicContact CE2-CB 4.22Å; N725-K735 VanDerWaalsContact OD1-CD 3.24Å; N725-K735 WeakPolarHBondContact OD1-CD 3.23Å; N725-K735 WeakPolarHBondContact OD1-CE 3.34Å; N725-K735 PolarHBondContact OD1-NZ 3.37Å; A730-K735 HydrophobicContact CB-CG 4.4Å; A730-K735 WeakPolarHBondContact O-CE 3.3Å; N731-K735 PolarHBondContact O-N 3Å; R732-K735 PolarHBondContact O-N 2.77Å; K735-T737 VanDerWaalsContact C-N 3.35Å; K735-T737 PolarHBondContact O-N 2.6Å; K735-K738 PolarHBondContact O-N 2.99Å; K735-I739 PolarHBondContact O-N 3.44Å
736L79.7Confident75.1Confident43 Ų4369.8 Ų69.823%0.22535%0.35CS..Hα-helixtrans-65.8-35.4179.9-171.5137000112.4R732 K738 I739 W740 K773R732-L736 WeakPolarHBondContact O-CB 3.46Å; R732-L736 PolarHBondContact O-N 3.37Å; L736-K738 PolarHBondContact O-N 3.09Å; L736-I739 PolarHBondContact O-N 2.98Å; L736-W740 VanDerWaalsContact O-CD1 3.29Å; L736-W740 PolarHBondContact O-N 3.28Å; L736-K773 WeakPolarHBondContact CD1-O 3.46Å
737T80.9Confident76.5Confident91 Ų9163.2 Ų63.256%0.55832%0.315SS*.Hα-helixtrans-63.4-39.6173.7-610000111.7F733 T734 K735 W740 Y741F733-T737 VanDerWaalsContact O-CB 3.26Å; F733-T737 WeakPolarHBondContact O-CB 3.31Å; F733-T737 PolarHBondContact O-N 2.71Å; F733-T737 PolarHBondContact O-OG1 2.99Å; T734-T737 PolarHBondContact O-N 2.79Å; K735-T737 VanDerWaalsContact C-N 3.35Å; K735-T737 PolarHBondContact O-N 2.6Å; T737-W740 PolarHBondContact O-N 3.2Å; T737-Y741 WeakPolarHBondContact O-CB 3.29Å; T737-Y741 PolarHBondContact O-N 2.83Å
738K81.7Confident77.9Confident60 Ų6067.1 Ų67.126%0.26132%0.324SS..Hα-helixtrans-73.4-35.8179.2-72.9179.2173.5178.50112.7Y721 T734 K735 L736 Y741 I742Y721-K738 HydrophobicContact CD2-CB 4.1Å; T734-K738 HydrophobicContact CG2-CD 4.36Å; T734-K738 WeakPolarHBondContact O-CG 3.31Å; T734-K738 PolarHBondContact O-N 3.34Å; K735-K738 PolarHBondContact O-N 2.99Å; L736-K738 PolarHBondContact O-N 3.09Å; K738-Y741 WeakPolarHBondContact O-CB 3.48Å; K738-Y741 PolarHBondContact O-N 3.22Å; K738-I742 WeakPolarHBondContact O-CG1 3.49Å; K738-I742 PolarHBondContact O-N 2.84Å
739I85.3Confident79.3Confident0 Ų063.6 Ų63.60%031%0.314CS..Hα-helixtrans-57.8-51.7167.2-70.9159.3000110.9Y721 K735 L736 Y741 I742 V743 I769 T776 F781Y721-I739 HydrophobicContact CD2-CG1 4.49Å; Y721-I739 HydrophobicContact CE1-CD1 4.47Å; Y721-I739 HydrophobicContact CE1-CG1 4.14Å; Y721-I739 HydrophobicContact CE2-CD1 4.14Å; Y721-I739 HydrophobicContact CE2-CG1 3.85Å; Y721-I739 WeakPolarHBondContact OH-CD1 3.17Å; K735-I739 PolarHBondContact O-N 3.44Å; L736-I739 PolarHBondContact O-N 2.98Å; I739-Y741 VanDerWaalsContact C-N 3.26Å; I739-Y741 PolarHBondContact O-N 3.08Å; I739-I742 PolarHBondContact O-N 3.2Å; I739-I742 VanDerWaalsContact O-N 3.11Å; I739-V743 WeakPolarHBondContact O-CG2 3.43Å; I739-V743 PolarHBondContact O-N 3Å; I739-I769 HydrophobicContact CG2-CD1 3.44Å; I739-I769 VanDerWaalsContact CG2-CD1 3.44Å; I739-I769 HydrophobicContact CG2-CG1 3.77Å; I739-I769 HydrophobicContact CG2-CG2 4.03Å; I739-T776 HydrophobicContact CD1-CG2 4.28Å; I739-T776 WeakPolarHBondContact CD1-OG1 3.37Å; I739-F781 HydrophobicContact CG2-CZ 4.31Å
740W86Confident80.8Confident76 Ų7662.1 Ų62.129%0.28831%0.313SS..Hα-helixtrans-66.7-25.7178.9-82.7109.3000113.6L736 T737 V743 N744 I766 I769 Q770L736-W740 VanDerWaalsContact O-CD1 3.29Å; L736-W740 PolarHBondContact O-N 3.28Å; T737-W740 PolarHBondContact O-N 3.2Å; W740-V743 HydrophobicContact CE3-CB 4.36Å; W740-V743 HydrophobicContact CE3-CG1 4.28Å; W740-V743 HydrophobicContact CZ3-CG1 4.25Å; W740-N744 WeakPolarHBondContact O-CB 3.4Å; W740-N744 PolarHBondContact O-N 3.34Å; W740-N744 PolarHBondContact O-ND2 2.98Å; W740-I766 HydrophobicContact CH2-CG2 4.38Å; W740-I769 HydrophobicContact CZ2-CG2 3.99Å; W740-Q770 HydrophobicContact CZ2-CG 4.46Å
741Y86.7Confident82Confident79 Ų7961.8 Ų61.831%0.3131%0.309SS..Hα-helixtrans-65.5-46.8168.8173.9-88.1000111.2T396 T737 K738 I739 N745 F746T396-Y741 HydrophobicContact CG2-CE2 4.34Å; T737-Y741 WeakPolarHBondContact O-CB 3.29Å; T737-Y741 PolarHBondContact O-N 2.83Å; K738-Y741 WeakPolarHBondContact O-CB 3.48Å; K738-Y741 PolarHBondContact O-N 3.22Å; I739-Y741 VanDerWaalsContact C-N 3.26Å; I739-Y741 PolarHBondContact O-N 3.08Å; Y741-N745 VanDerWaalsContact CD2-ND2 3.25Å; Y741-N745 WeakPolarHBondContact CD2-ND2 3.45Å; Y741-N745 WeakPolarHBondContact CE2-ND2 3.49Å; Y741-N745 WeakPolarHBondContact O-CB 3.36Å; Y741-N745 PolarHBondContact O-N 3.46Å; Y741-N745 PolarHBondContact O-ND2 2.94Å; Y741-F746 HydrophobicContact CE1-CE2 4.48Å
742I86.9Confident82.7Confident3 Ų367.7 Ų67.72%0.01533%0.325CS..Hα-helixtrans-59.2-51.2176.8-66.7166.3000110.1F714 A717 I718 Y721 K738 I739 N744 N745 F746 F781F714-I742 HydrophobicContact CD2-CG2 3.81Å; F714-I742 HydrophobicContact CE2-CG2 3.69Å; A717-I742 HydrophobicContact CB-CG1 4.11Å; I718-I742 HydrophobicContact CG1-CD1 4.42Å; Y721-I742 HydrophobicContact CG-CD1 4.46Å; K738-I742 WeakPolarHBondContact O-CG1 3.49Å; K738-I742 PolarHBondContact O-N 2.84Å; I739-I742 PolarHBondContact O-N 3.2Å; I739-I742 VanDerWaalsContact O-N 3.11Å; I742-N744 PolarHBondContact O-N 3.43Å; I742-N745 PolarHBondContact O-N 2.96Å; I742-F746 HydrophobicContact CG2-CD2 4.48Å; I742-F746 PolarHBondContact O-N 3.28Å; I742-F781 HydrophobicContact CB-CZ 4.3Å; I742-F781 HydrophobicContact CD1-CE2 4.29Å; I742-F781 HydrophobicContact CD1-CZ 4.43Å; I742-F781 HydrophobicContact CG2-CE1 3.94Å; I742-F781 HydrophobicContact CG2-CZ 3.96Å
743V86.6Confident83.2Confident2 Ų268.1 Ų68.11%0.01233%0.326CS..Iπ-helixtrans-59-50.3-179.4175.30000112.1I739 W740 N745 L747 R748 I765 I766 I769 F781I739-V743 WeakPolarHBondContact O-CG2 3.43Å; I739-V743 PolarHBondContact O-N 3Å; W740-V743 HydrophobicContact CE3-CB 4.36Å; W740-V743 HydrophobicContact CE3-CG1 4.28Å; W740-V743 HydrophobicContact CZ3-CG1 4.25Å; V743-N745 PolarHBondContact O-N 3.28Å; V743-L747 HydrophobicContact CG2-CD1 4.32Å; V743-L747 PolarHBondContact O-N 2.92Å; V743-R748 WeakPolarHBondContact O-CB 3.11Å; V743-R748 PolarHBondContact O-N 3.45Å; V743-I765 HydrophobicContact CG2-CG2 4.38Å; V743-I766 HydrophobicContact CG1-CD1 4.09Å; V743-I766 HydrophobicContact CG1-CG1 3.9Å; V743-I769 HydrophobicContact CG2-CD1 3.65Å; V743-F781 HydrophobicContact CG2-CE1 4.45Å
744N87.8Confident83.9Confident57 Ų5761.7 Ų61.731%0.30530%0.299SS..Iπ-helixtrans-76.2-17-175.2-74.1-69.4000114.4W740 I742 R748 S751W740-N744 WeakPolarHBondContact O-CB 3.4Å; W740-N744 PolarHBondContact O-N 3.34Å; W740-N744 PolarHBondContact O-ND2 2.98Å; I742-N744 PolarHBondContact O-N 3.43Å; N744-R748 WeakPolarHBondContact OD1-CD 3.47Å; N744-R748 PolarHBondContact OD1-NH1 3.48Å; N744-S751 WeakPolarHBondContact O-CB 3.38Å
745N88Confident84.5Confident43 Ų4358.7 Ų58.723%0.2328%0.281CS..Iπ-helixtrans-97.4-34.4177.4-71.6-80.2000113.6Y741 I742 V743 S751 W753Y741-N745 VanDerWaalsContact CD2-ND2 3.25Å; Y741-N745 WeakPolarHBondContact CD2-ND2 3.45Å; Y741-N745 WeakPolarHBondContact CE2-ND2 3.49Å; Y741-N745 WeakPolarHBondContact O-CB 3.36Å; Y741-N745 PolarHBondContact O-N 3.46Å; Y741-N745 PolarHBondContact O-ND2 2.94Å; I742-N745 PolarHBondContact O-N 2.96Å; V743-N745 PolarHBondContact O-N 3.28Å; N745-S751 VanDerWaalsContact C-OG 3.31Å; N745-S751 WeakPolarHBondContact O-CB 3.45Å; N745-S751 PolarHBondContact O-OG 3Å; N745-W753 CarbonylContact O-C 3.55Å; N745-W753 VanDerWaalsContact O-C 3.24Å; N745-W753 WeakPolarHBondContact O-CA 3.23Å; N745-W753 WeakPolarHBondContact O-CB 3.24Å; N745-W753 PolarHBondContact O-N 3.18Å
746F89.3Confident85Confident11 Ų1160.8 Ų60.85%0.04830%0.295CS..Iπ-helixtrans-116.7-31-171.1-59.7-76.8000115.5F714 A717 Y741 I742 W753 C754 I755F714-F746 HydrophobicContact CB-CB 4.06Å; F714-F746 HydrophobicContact CB-CD1 3.77Å; F714-F746 HydrophobicContact CB-CD2 4.22Å; F714-F746 HydrophobicContact CB-CE1 4.22Å; F714-F746 HydrophobicContact CB-CG 3.77Å; F714-F746 HydrophobicContact CD2-CB 3.69Å; F714-F746 HydrophobicContact CD2-CD2 4.2Å; F714-F746 HydrophobicContact CD2-CG 4.04Å; F714-F746 HydrophobicContact CG-CB 4.24Å; F714-F746 HydrophobicContact CG-CG 4.38Å; A717-F746 HydrophobicContact CB-CE2 3.97Å; Y741-F746 HydrophobicContact CE1-CE2 4.48Å; I742-F746 HydrophobicContact CG2-CD2 4.48Å; I742-F746 PolarHBondContact O-N 3.28Å; F746-W753 WeakPolarHBondContact CA-O 3.4Å; F746-W753 HydrophobicContact CD1-CB 3.85Å; F746-W753 WeakPolarHBondContact CD1-O 3.38Å; F746-W753 HydrophobicContact CE1-CB 3.9Å; F746-C754 WeakPolarHBondContact O-CA 3.34Å; F746-I755 HydrophobicContact CB-CD1 4.13Å; F746-I755 HydrophobicContact CD1-CD1 4.45Å; F746-I755 PolarHBondContact O-N 2.67Å; F746-I755 VanDerWaalsContact O-N 3.16Å
747L88Confident85.2Confident9 Ų960.3 Ų60.35%0.04729%0.292CS..Iπ-helixtrans-99.9-24.4-173.3-58.2-176.3000113.7F714 V743 I757 V762 I765 F781 V784F714-L747 HydrophobicContact CD2-CD2 4.37Å; F714-L747 HydrophobicContact CE2-CD1 4.35Å; F714-L747 HydrophobicContact CE2-CD2 3.68Å; F714-L747 HydrophobicContact CE2-CG 4.09Å; F714-L747 HydrophobicContact CZ-CD2 3.99Å; V743-L747 HydrophobicContact CG2-CD1 4.32Å; V743-L747 PolarHBondContact O-N 2.92Å; L747-I757 HydrophobicContact CD2-CD1 3.53Å; L747-V762 HydrophobicContact CB-CG1 4.13Å; L747-V762 HydrophobicContact CB-CG2 4.23Å; L747-V762 WeakPolarHBondContact O-CG1 3.47Å; L747-I765 HydrophobicContact CD1-CD1 4.27Å; L747-I765 HydrophobicContact CD1-CG2 4.28Å; L747-F781 HydrophobicContact CD1-CD1 4.27Å; L747-F781 HydrophobicContact CD1-CE1 3.94Å; L747-V784 HydrophobicContact CD2-CG1 4.01Å
748R85.6Confident85.5Confident124 Ų12460.6 Ų60.647%0.46829%0.29SS..SBendtrans-84.2122.2-178-173.2179.3179.6147.67110.5V743 N744 T750 S751V743-R748 WeakPolarHBondContact O-CB 3.11Å; V743-R748 PolarHBondContact O-N 3.45Å; N744-R748 WeakPolarHBondContact OD1-CD 3.47Å; N744-R748 PolarHBondContact OD1-NH1 3.48Å; R748-T750 WeakPolarHBondContact CD-OG1 3.42Å; R748-T750 WeakPolarHBondContact CG-OG1 3.49Å; R748-T750 PolarHBondContact NE-OG1 2.65Å; R748-T750 VanDerWaalsContact NE-OG1 3.09Å; R748-T750 PolarHBondContact O-N 3.44Å; R748-S751 WeakPolarHBondContact O-CB 3.43Å; R748-S751 PolarHBondContact O-N 3.12Å; R748-S751 PolarHBondContact O-OG 2.83Å
749S82.6Confident85.7Confident106 Ų10660.8 Ų60.874%0.74130%0.299SS*.THydrogen-bonded Turntrans-55.5-18-179.1560000116.2S751S749-S751 VanDerWaalsContact C-N 3.3Å
750T82.3Confident85.8Confident110 Ų11063.8 Ų63.868%0.67532%0.32SS*.THydrogen-bonded Turntrans-87.911.3174.767.20000113.6R748R748-T750 WeakPolarHBondContact CD-OG1 3.42Å; R748-T750 WeakPolarHBondContact CG-OG1 3.49Å; R748-T750 PolarHBondContact NE-OG1 2.65Å; R748-T750 VanDerWaalsContact NE-OG1 3.09Å; R748-T750 PolarHBondContact O-N 3.44Å
751S83.2Confident85.8Confident20 Ų2062.4 Ų62.414%0.1432%0.318CS..SBendtrans-100.3146.4-175.677.60000112.6N744 N745 R748 S749 W753 C754N744-S751 WeakPolarHBondContact O-CB 3.38Å; N745-S751 VanDerWaalsContact C-OG 3.31Å; N745-S751 WeakPolarHBondContact O-CB 3.45Å; N745-S751 PolarHBondContact O-OG 3Å; R748-S751 WeakPolarHBondContact O-CB 3.43Å; R748-S751 PolarHBondContact O-N 3.12Å; R748-S751 PolarHBondContact O-OG 2.83Å; S749-S751 VanDerWaalsContact C-N 3.3Å; S751-W753 PolarHBondContact O-N 3.26Å; S751-C754 PolarHBondContact O-N 3.42Å; S751-C754 WeakPolarHBondContact OG-CA 3.39Å; S751-C754 PolarHBondContact OG-N 2.93Å; S751-C754 VanDerWaalsContact OG-N 3.14Å
752R82Confident85.8Confident215 Ų21559.5 Ų59.581%0.81131%0.308SS*.THydrogen-bonded Turntrans-63.1-24.1176.2-179.4172.5176.8176.90113.2
753W82.6Confident85.9Confident114 Ų11464.9 Ų64.943%0.43233%0.332SS..THydrogen-bonded Turntrans-110.926.2-177.3-46.388000112.4R710 N745 F746 S751R710-W753 HydrophobicContact CG-CB 4.47Å; R710-W753 HydrophobicContact CG-CE3 4.26Å; N745-W753 CarbonylContact O-C 3.55Å; N745-W753 VanDerWaalsContact O-C 3.24Å; N745-W753 WeakPolarHBondContact O-CA 3.23Å; N745-W753 WeakPolarHBondContact O-CB 3.24Å; N745-W753 PolarHBondContact O-N 3.18Å; F746-W753 WeakPolarHBondContact CA-O 3.4Å; F746-W753 HydrophobicContact CD1-CB 3.85Å; F746-W753 WeakPolarHBondContact CD1-O 3.38Å; F746-W753 HydrophobicContact CE1-CB 3.9Å; S751-W753 PolarHBondContact O-N 3.26Å
754C87.7Confident85.9Confident11 Ų1167.3 Ų67.37%0.07435%0.348CS..  trans-58.6137.4177.6-170.40000112.5R710 F746 S751 D756R710-C754 VanDerWaalsContact CD-O 3.23Å; R710-C754 WeakPolarHBondContact CD-O 3.28Å; R710-C754 PolarHBondContact NE-O 3.22Å; F746-C754 WeakPolarHBondContact O-CA 3.34Å; S751-C754 PolarHBondContact O-N 3.42Å; S751-C754 WeakPolarHBondContact OG-CA 3.39Å; S751-C754 PolarHBondContact OG-N 2.93Å; S751-C754 VanDerWaalsContact OG-N 3.14Å; C754-D756 PolarHBondContact SG-N 2.94Å; C754-D756 VanDerWaalsContact SG-N 3.41Å; C754-D756 PolarHBondContact SG-OD1 2.69Å
755I86.7Confident85.9Confident2 Ų265 Ų651%0.0134%0.336CS..  trans-96-12.1178.9-65.7167.2000112.1R707 R710 I711 F714 F746 I757R707-I755 VanDerWaalsContact CZ-O 3.26Å; R707-I755 PolarHBondContact NE-O 2.74Å; R707-I755 PolarHBondContact NH2-O 3.36Å; R710-I755 HydrophobicContact CB-CG1 4.2Å; I711-I755 HydrophobicContact CD1-CG2 4.11Å; I711-I755 HydrophobicContact CG1-CB 4.41Å; I711-I755 HydrophobicContact CG1-CD1 4.21Å; I711-I755 HydrophobicContact CG1-CG1 4.07Å; I711-I755 HydrophobicContact CG1-CG2 3.51Å; F714-I755 HydrophobicContact CB-CD1 3.4Å; F714-I755 HydrophobicContact CD1-CD1 3.87Å; F714-I755 HydrophobicContact CD2-CD1 4.3Å; F714-I755 HydrophobicContact CG-CD1 3.63Å; F746-I755 HydrophobicContact CB-CD1 4.13Å; F746-I755 HydrophobicContact CD1-CD1 4.45Å; F746-I755 PolarHBondContact O-N 2.67Å; F746-I755 VanDerWaalsContact O-N 3.16Å; I755-I757 HydrophobicContact CB-CD1 3.75Å; I755-I757 HydrophobicContact CB-CG1 4.22Å; I755-I757 HydrophobicContact CG2-CD1 3.73Å; I755-I757 HydrophobicContact CG2-CG1 3.83Å
756D84.9Confident85.8Confident100 Ų10065 Ų6554%0.53534%0.335SS..  trans63.255.2-179.9-48.4-47.5000112.5C754C754-D756 PolarHBondContact SG-N 2.94Å; C754-D756 VanDerWaalsContact SG-N 3.41Å; C754-D756 PolarHBondContact SG-OD1 2.69Å
757I85Confident85.7Confident33 Ų3369.7 Ų69.717%0.16936%0.358CS..  trans-88.2155.2174-63140.9000109.7L747 I755 S759 L761 V762 V784L747-I757 HydrophobicContact CD2-CD1 3.53Å; I755-I757 HydrophobicContact CB-CD1 3.75Å; I755-I757 HydrophobicContact CB-CG1 4.22Å; I755-I757 HydrophobicContact CG2-CD1 3.73Å; I755-I757 HydrophobicContact CG2-CG1 3.83Å; I757-S759 PolarHBondContact O-N 2.85Å; I757-L761 HydrophobicContact CG2-CB 4.36Å; I757-L761 HydrophobicContact CG2-CD1 4.19Å; I757-V762 HydrophobicContact CB-CG2 4.46Å; I757-V762 HydrophobicContact CG2-CG2 4.43Å; I757-V784 HydrophobicContact CD1-CG1 3.44Å; I757-V784 VanDerWaalsContact CD1-CG1 3.44Å; I757-V784 HydrophobicContact CG1-CG1 4.17Å; I757-V784 HydrophobicContact CG2-CG1 4.42Å; I757-V784 HydrophobicContact CG2-CG2 4.35Å
758D87.1Confident85.5Confident98 Ų9871.7 Ų71.752%0.52437%0.37SS..  trans-52.2129.6174.9178.816.4000112.3S760 L761 V762D758-S760 PolarHBondContact O-N 3.41Å; D758-S760 VanDerWaalsContact O-N 3.17Å; D758-S760 PolarHBondContact OD1-N 2.7Å; D758-S760 VanDerWaalsContact OD2-CB 3.3Å; D758-S760 WeakPolarHBondContact OD2-CB 3.34Å; D758-S760 PolarHBondContact OD2-OG 2.7Å; D758-L761 PolarHBondContact O-N 3.08Å; D758-V762 PolarHBondContact O-N 3.45Å
759S84.5Confident85.4Confident63 Ų6365.8 Ų65.844%0.44135%0.348SS..Hα-helixtrans-57.6-25.9176.7-171.70000113I757 K763I757-S759 PolarHBondContact O-N 2.85Å; S759-K763 WeakPolarHBondContact O-CB 3.48Å; S759-K763 WeakPolarHBondContact O-CD 3.35Å; S759-K763 WeakPolarHBondContact O-CG 3.32Å; S759-K763 PolarHBondContact O-N 2.82Å; S759-K763 WeakPolarHBondContact OG-CE 3.16Å
760S87.4Confident85.4Confident63 Ų6366 Ų6644%0.44134%0.337SS..Hα-helixtrans-62.5-46.5175.781.40000112.2D758 K763 S764D758-S760 PolarHBondContact O-N 3.41Å; D758-S760 VanDerWaalsContact O-N 3.17Å; D758-S760 PolarHBondContact OD1-N 2.7Å; D758-S760 VanDerWaalsContact OD2-CB 3.3Å; D758-S760 WeakPolarHBondContact OD2-CB 3.34Å; D758-S760 PolarHBondContact OD2-OG 2.7Å; S760-K763 PolarHBondContact O-N 2.86Å; S760-S764 PolarHBondContact O-N 2.92Å; S760-S764 VanDerWaalsContact O-N 3.09Å
761L87.5Confident85.4Confident48 Ų4867.2 Ų67.225%0.25134%0.338SS..Hα-helixtrans-69.2-38.3178.9-61.8176.9000111.7I757 D758 K763 S764 I765 V784 I787I757-L761 HydrophobicContact CG2-CB 4.36Å; I757-L761 HydrophobicContact CG2-CD1 4.19Å; D758-L761 PolarHBondContact O-N 3.08Å; L761-K763 VanDerWaalsContact C-N 3.33Å; L761-K763 PolarHBondContact O-N 3.04Å; L761-S764 PolarHBondContact O-OG 2.87Å; L761-S764 VanDerWaalsContact O-OG 3.09Å; L761-I765 WeakPolarHBondContact O-CB 3.36Å; L761-I765 WeakPolarHBondContact O-CG1 3.37Å; L761-I765 PolarHBondContact O-N 3.28Å; L761-I765 VanDerWaalsContact O-N 3.1Å; L761-V784 HydrophobicContact CB-CG2 4.28Å; L761-I787 HydrophobicContact CD1-CD1 3.68Å
762V87.2Confident84.9Confident17 Ų1771 Ų7110%0.10335%0.352CS..Hα-helixtrans-65.9-37.3176.4179.10000111.2L747 I757 D758 I766L747-V762 HydrophobicContact CB-CG1 4.13Å; L747-V762 HydrophobicContact CB-CG2 4.23Å; L747-V762 WeakPolarHBondContact O-CG1 3.47Å; I757-V762 HydrophobicContact CB-CG2 4.46Å; I757-V762 HydrophobicContact CG2-CG2 4.43Å; D758-V762 PolarHBondContact O-N 3.45Å; V762-I766 HydrophobicContact CG1-CD1 3.91Å; V762-I766 WeakPolarHBondContact O-CB 3.43Å; V762-I766 WeakPolarHBondContact O-CD1 3.49Å; V762-I766 VanDerWaalsContact O-CG1 3.25Å; V762-I766 WeakPolarHBondContact O-CG1 3.34Å; V762-I766 PolarHBondContact O-N 2.98Å; V762-I766 VanDerWaalsContact O-N 3.11Å
763K87.3Confident84.3Confident117 Ų11766.6 Ų66.651%0.50934%0.339SS..Hα-helixtrans-65.9-49.8175.1-75.6165.8-175.3168.30112S759 S760 L761 I765 I766 E767S759-K763 WeakPolarHBondContact O-CB 3.48Å; S759-K763 WeakPolarHBondContact O-CD 3.35Å; S759-K763 WeakPolarHBondContact O-CG 3.32Å; S759-K763 PolarHBondContact O-N 2.82Å; S759-K763 WeakPolarHBondContact OG-CE 3.16Å; S760-K763 PolarHBondContact O-N 2.86Å; L761-K763 VanDerWaalsContact C-N 3.33Å; L761-K763 PolarHBondContact O-N 3.04Å; K763-I765 VanDerWaalsContact C-N 3.31Å; K763-I765 PolarHBondContact O-N 3.28Å; K763-I766 PolarHBondContact O-N 2.78Å; K763-E767 WeakPolarHBondContact O-CG 3.45Å; K763-E767 PolarHBondContact O-N 3.36Å
764S88Confident83.4Confident52 Ų5266 Ų6636%0.36434%0.344SS..Hα-helixtrans-62.2-37.6-179.264.50000112.3S760 L761 E767 V768S760-S764 PolarHBondContact O-N 2.92Å; S760-S764 VanDerWaalsContact O-N 3.09Å; L761-S764 PolarHBondContact O-OG 2.87Å; L761-S764 VanDerWaalsContact O-OG 3.09Å; S764-E767 PolarHBondContact O-N 3.35Å; S764-V768 WeakPolarHBondContact O-CB 3.34Å; S764-V768 VanDerWaalsContact O-CG2 3.29Å; S764-V768 WeakPolarHBondContact O-CG2 3.34Å; S764-V768 PolarHBondContact O-N 2.91Å
765I86.6Confident82.4Confident9 Ų970.9 Ų70.95%0.04637%0.374CS..Hα-helixtrans-60-48.7170.8-74.7166000111.2V743 L747 L761 K763 E767 V768 I769 I780 F781 V784V743-I765 HydrophobicContact CG2-CG2 4.38Å; L747-I765 HydrophobicContact CD1-CD1 4.27Å; L747-I765 HydrophobicContact CD1-CG2 4.28Å; L761-I765 WeakPolarHBondContact O-CB 3.36Å; L761-I765 WeakPolarHBondContact O-CG1 3.37Å; L761-I765 PolarHBondContact O-N 3.28Å; L761-I765 VanDerWaalsContact O-N 3.1Å; K763-I765 VanDerWaalsContact C-N 3.31Å; K763-I765 PolarHBondContact O-N 3.28Å; I765-E767 PolarHBondContact O-N 3.48Å; I765-V768 PolarHBondContact O-N 3Å; I765-I769 HydrophobicContact CG2-CD1 3.59Å; I765-I769 WeakPolarHBondContact O-CD1 3.42Å; I765-I769 WeakPolarHBondContact O-CG1 3.35Å; I765-I769 PolarHBondContact O-N 3.39Å; I765-I780 WeakPolarHBondContact CG1-O 3.37Å; I765-F781 HydrophobicContact CD1-CD1 4.36Å; I765-F781 HydrophobicContact CG2-CD1 4.48Å; I765-F781 HydrophobicContact CG2-CE1 4.04Å; I765-V784 HydrophobicContact CD1-CB 4.48Å; I765-V784 HydrophobicContact CD1-CG2 3.54Å
766I86.8Confident81.6Confident42 Ų4271.5 Ų71.522%0.21538%0.377CS..Hα-helixtrans-62.8-41.5179.4-72.4168.6000111.5W740 V743 V762 K763 I769 Q770W740-I766 HydrophobicContact CH2-CG2 4.38Å; V743-I766 HydrophobicContact CG1-CD1 4.09Å; V743-I766 HydrophobicContact CG1-CG1 3.9Å; V762-I766 HydrophobicContact CG1-CD1 3.91Å; V762-I766 WeakPolarHBondContact O-CB 3.43Å; V762-I766 WeakPolarHBondContact O-CD1 3.49Å; V762-I766 VanDerWaalsContact O-CG1 3.25Å; V762-I766 WeakPolarHBondContact O-CG1 3.34Å; V762-I766 PolarHBondContact O-N 2.98Å; V762-I766 VanDerWaalsContact O-N 3.11Å; K763-I766 PolarHBondContact O-N 2.78Å; I766-I769 PolarHBondContact O-N 3.05Å; I766-Q770 HydrophobicContact CG2-CG 4.45Å; I766-Q770 VanDerWaalsContact CG2-NE2 3.26Å; I766-Q770 WeakPolarHBondContact O-CB 3.37Å; I766-Q770 VanDerWaalsContact O-CG 3.3Å; I766-Q770 WeakPolarHBondContact O-CG 3.22Å; I766-Q770 PolarHBondContact O-N 2.76Å
767E86Confident81Confident110 Ų11069 Ų6951%0.51437%0.367SS..Hα-helixtrans-62.7-47.3176.7-72.7163.3-159.200111.3K763 S764 I765 I769 Q770 I771K763-E767 WeakPolarHBondContact O-CG 3.45Å; K763-E767 PolarHBondContact O-N 3.36Å; S764-E767 PolarHBondContact O-N 3.35Å; I765-E767 PolarHBondContact O-N 3.48Å; E767-I769 VanDerWaalsContact C-N 3.3Å; E767-I769 PolarHBondContact O-N 3.41Å; E767-Q770 PolarHBondContact O-N 2.91Å; E767-Q770 VanDerWaalsContact O-N 3.16Å; E767-I771 VanDerWaalsContact O-CG1 3.29Å; E767-I771 WeakPolarHBondContact O-CG1 3.22Å; E767-I771 PolarHBondContact O-N 3.48Å
768V84.5Confident80.6Confident51 Ų5168.6 Ų68.631%0.30937%0.366SS..Hα-helixtrans-60.8-38.6175.91710000111.8S764 I765 I771 K772 I780S764-V768 WeakPolarHBondContact O-CB 3.34Å; S764-V768 VanDerWaalsContact O-CG2 3.29Å; S764-V768 WeakPolarHBondContact O-CG2 3.34Å; S764-V768 PolarHBondContact O-N 2.91Å; I765-V768 PolarHBondContact O-N 3Å; V768-I771 PolarHBondContact O-N 3.18Å; V768-K772 HydrophobicContact CG1-CD 4.3Å; V768-K772 WeakPolarHBondContact O-CB 3.49Å; V768-K772 PolarHBondContact O-N 2.79Å; V768-I780 HydrophobicContact CG1-CG2 3.75Å
769I83.9Confident80.3Confident1 Ų169.8 Ų69.81%0.00537%0.368CS..Hα-helixtrans-68.1-38.5175.8-66.5161.4000111.7I739 W740 V743 I765 I766 E767 T776 I780I739-I769 HydrophobicContact CG2-CD1 3.44Å; I739-I769 VanDerWaalsContact CG2-CD1 3.44Å; I739-I769 HydrophobicContact CG2-CG1 3.77Å; I739-I769 HydrophobicContact CG2-CG2 4.03Å; W740-I769 HydrophobicContact CZ2-CG2 3.99Å; V743-I769 HydrophobicContact CG2-CD1 3.65Å; I765-I769 HydrophobicContact CG2-CD1 3.59Å; I765-I769 WeakPolarHBondContact O-CD1 3.42Å; I765-I769 WeakPolarHBondContact O-CG1 3.35Å; I765-I769 PolarHBondContact O-N 3.39Å; I766-I769 PolarHBondContact O-N 3.05Å; E767-I769 VanDerWaalsContact C-N 3.3Å; E767-I769 PolarHBondContact O-N 3.41Å; I769-T776 HydrophobicContact CB-CG2 4.49Å; I769-T776 HydrophobicContact CG1-CG2 4.02Å; I769-I780 HydrophobicContact CD1-CD1 4.24Å; I769-I780 HydrophobicContact CG1-CD1 3.91Å
770Q82.2Confident80.3Confident110 Ų11068 Ų6851%0.51435%0.354SS..Hα-helixtrans-69.6-32.8177.4-74.2-179.427.300112.8W740 I766 E767 K773W740-Q770 HydrophobicContact CZ2-CG 4.46Å; I766-Q770 HydrophobicContact CG2-CG 4.45Å; I766-Q770 VanDerWaalsContact CG2-NE2 3.26Å; I766-Q770 WeakPolarHBondContact O-CB 3.37Å; I766-Q770 VanDerWaalsContact O-CG 3.3Å; I766-Q770 WeakPolarHBondContact O-CG 3.22Å; I766-Q770 PolarHBondContact O-N 2.76Å; E767-Q770 PolarHBondContact O-N 2.91Å; E767-Q770 VanDerWaalsContact O-N 3.16Å; Q770-K773 WeakPolarHBondContact O-CE 3.29Å; Q770-K773 WeakPolarHBondContact O-CG 3.42Å
771I81.7Confident80.3Confident135 Ų13565 Ų6569%0.69233%0.333SS*.Hα-helixtrans-75.6-54.7174.4-65163.1000110.2E767 V768 K773E767-I771 VanDerWaalsContact O-CG1 3.29Å; E767-I771 WeakPolarHBondContact O-CG1 3.22Å; E767-I771 PolarHBondContact O-N 3.48Å; V768-I771 PolarHBondContact O-N 3.18Å; I771-K773 VanDerWaalsContact C-N 3.35Å; I771-K773 PolarHBondContact O-N 2.94Å; I771-K773 VanDerWaalsContact O-N 3.12Å
772K73.6Confident80.2Confident101 Ų10165.5 Ų65.544%0.43934%0.335SS..  trans-90.661.1-174.6-62.6-174.1179.6-179.90112.5V768 D774 T776V768-K772 HydrophobicContact CG1-CD 4.3Å; V768-K772 WeakPolarHBondContact O-CB 3.49Å; V768-K772 PolarHBondContact O-N 2.79Å; K772-D774 PolarHBondContact O-N 2.89Å; K772-D774 VanDerWaalsContact O-N 3.07Å; K772-T776 HydrophobicContact CB-CG2 4.18Å; K772-T776 PolarHBondContact O-OG1 2.79Å
773K68.6Low80.2Confident122 Ų12267.5 Ų67.553%0.5335%0.354SS..SBendtrans-62.4-10.9177.4-59.9178.5-176172.10114.7R732 L736 Q770 I771R732-K773 PolarHBondContact NE-O 3.03Å; R732-K773 VanDerWaalsContact NH2-C 3.33Å; R732-K773 PolarHBondContact NH2-O 2.79Å; L736-K773 WeakPolarHBondContact CD1-O 3.46Å; Q770-K773 WeakPolarHBondContact O-CE 3.29Å; Q770-K773 WeakPolarHBondContact O-CG 3.42Å; I771-K773 VanDerWaalsContact C-N 3.35Å; I771-K773 PolarHBondContact O-N 2.94Å; I771-K773 VanDerWaalsContact O-N 3.12Å
774D63.7Low80.2Confident102 Ų10261.9 Ų61.955%0.54533%0.329SS..SBendtrans-113.4-47.1-167.6-66.758.6000111.1R732 K772R732-D774 IonicContact CZ-OD1 2.72Å; R732-D774 IonicContact CZ-OD2 2.74Å; R732-D774 IonicContact NH1-OD1 2.88Å; R732-D774 IonicContact NH1-OD2 2.92Å; R732-D774 PolarHBondContact NH1-OD2 2.81Å; R732-D774 IonicContact NH2-OD1 3.87Å; R732-D774 PolarHBondContact NH2-OD1 3.04Å; R732-D774 IonicContact NH2-OD2 3.26Å; R732-D774 PolarHBondContact NH2-OD2 2.78Å; R732-D774 VanDerWaalsContact NH2-OD2 3.08Å; K772-D774 PolarHBondContact O-N 2.89Å; K772-D774 VanDerWaalsContact O-N 3.07Å
775T66.8Low80.3Confident112 Ų11260.7 Ų60.769%0.68732%0.317SS*.  trans-13780.2-175.6540000110.3P777T775-P777 WeakPolarHBondContact O-CD 3.49Å
776T70.1Confident80.3Confident15 Ų1564.1 Ų64.19%0.09234%0.336CS..  trans-90.3109.7171.50.50000108.5Y721 I739 I769 K772 I780Y721-T776 PolarHBondContact OH-O 3.02Å; I739-T776 HydrophobicContact CD1-CG2 4.28Å; I739-T776 WeakPolarHBondContact CD1-OG1 3.37Å; I769-T776 HydrophobicContact CB-CG2 4.49Å; I769-T776 HydrophobicContact CG1-CG2 4.02Å; K772-T776 HydrophobicContact CB-CG2 4.18Å; K772-T776 PolarHBondContact O-OG1 2.79Å; T776-I780 HydrophobicContact CG2-CD1 3.85Å
777P73.6Confident80.3Confident47 Ų4766 Ų6631%0.30535%0.345SS..  trans-72.6165.1177.632-34.7000110.7T775 E779 I780T775-P777 WeakPolarHBondContact O-CD 3.49Å; P777-E779 WeakPolarHBondContact CB-OE2 3.28Å; P777-E779 PolarHBondContact O-N 3.12Å; P777-I780 HydrophobicContact CG-CG2 4.05Å; P777-I780 WeakPolarHBondContact O-CG1 3.27Å
778V76.2Confident80.5Confident26 Ų2660.8 Ų60.816%0.15832%0.321CS..G310 helixtrans-65.9-36.3178.3176.40000110.5I718 Y721 S722 N725 I780 F781I718-V778 HydrophobicContact CG2-CG1 4.24Å; Y721-V778 HydrophobicContact CD1-CG2 4.13Å; Y721-V778 HydrophobicContact CE1-CG2 3.9Å; S722-V778 VanDerWaalsContact OG-CG1 3.24Å; S722-V778 WeakPolarHBondContact OG-CG1 3.29Å; N725-V778 WeakPolarHBondContact ND2-CG2 3.4Å; V778-I780 PolarHBondContact O-N 3.05Å; V778-F781 PolarHBondContact O-N 3.04Å
779E81.2Confident80.6Confident122 Ų12258.7 Ų58.757%0.5731%0.309SS*.G310 helixtrans-57.7-13.6-173.3-59.892.8116.900113.6P777 F781 D782P777-E779 WeakPolarHBondContact CB-OE2 3.28Å; P777-E779 PolarHBondContact O-N 3.12Å; E779-F781 PolarHBondContact O-N 2.98Å; E779-D782 WeakPolarHBondContact CA-OD2 3.28Å; E779-D782 WeakPolarHBondContact CB-OD2 3.46Å; E779-D782 PolarHBondContact O-N 3.03Å
780I83.5Confident80.8Confident26 Ų2662.8 Ų62.813%0.13333%0.33CS..G310 helixtrans-58.3-24.8169.469.4-175.9000112.9I765 V768 I769 T776 P777 V778I765-I780 WeakPolarHBondContact CG1-O 3.37Å; V768-I780 HydrophobicContact CG1-CG2 3.75Å; I769-I780 HydrophobicContact CD1-CD1 4.24Å; I769-I780 HydrophobicContact CG1-CD1 3.91Å; T776-I780 HydrophobicContact CG2-CD1 3.85Å; P777-I780 HydrophobicContact CG-CG2 4.05Å; P777-I780 WeakPolarHBondContact O-CG1 3.27Å; V778-I780 PolarHBondContact O-N 3.05Å
781F87Confident81.1Confident1 Ų159.8 Ų59.80%0.00432%0.316CS..G310 helixtrans-94.7-8.6-179.6-63.6-66.3000113.9F714 I718 I739 I742 V743 L747 I765 V778 E779 A783 V784 K785F714-F781 HydrophobicContact CE2-CD1 4.49Å; I718-F781 HydrophobicContact CD1-CB 3.66Å; I718-F781 HydrophobicContact CD1-CD2 4.49Å; I718-F781 HydrophobicContact CD1-CG 4.02Å; I718-F781 HydrophobicContact CG1-CB 4.32Å; I718-F781 HydrophobicContact CG1-CD2 4.28Å; I718-F781 HydrophobicContact CG1-CG 4.29Å; I739-F781 HydrophobicContact CG2-CZ 4.31Å; I742-F781 HydrophobicContact CB-CZ 4.3Å; I742-F781 HydrophobicContact CD1-CE2 4.29Å; I742-F781 HydrophobicContact CD1-CZ 4.43Å; I742-F781 HydrophobicContact CG2-CE1 3.94Å; I742-F781 HydrophobicContact CG2-CZ 3.96Å; V743-F781 HydrophobicContact CG2-CE1 4.45Å; L747-F781 HydrophobicContact CD1-CD1 4.27Å; L747-F781 HydrophobicContact CD1-CE1 3.94Å; I765-F781 HydrophobicContact CD1-CD1 4.36Å; I765-F781 HydrophobicContact CG2-CD1 4.48Å; I765-F781 HydrophobicContact CG2-CE1 4.04Å; V778-F781 PolarHBondContact O-N 3.04Å; E779-F781 PolarHBondContact O-N 2.98Å; F781-A783 VanDerWaalsContact C-N 3.34Å; F781-A783 PolarHBondContact O-N 2.87Å; F781-V784 PolarHBondContact O-N 3.01Å; F781-K785 WeakPolarHBondContact O-CB 3.32Å; F781-K785 PolarHBondContact O-N 3.45Å
782D85.9Confident81.5Confident57 Ų5753.3 Ų53.331%0.30528%0.283SS..Hα-helixtrans-59.9-39.2-167.3-75-18.5000113.5E779 V784 K785 N786E779-D782 WeakPolarHBondContact CA-OD2 3.28Å; E779-D782 WeakPolarHBondContact CB-OD2 3.46Å; E779-D782 PolarHBondContact O-N 3.03Å; D782-V784 VanDerWaalsContact C-N 3.3Å; D782-V784 PolarHBondContact O-N 2.87Å; D782-K785 PolarHBondContact O-N 3.33Å; D782-N786 WeakPolarHBondContact O-CB 3.42Å; D782-N786 PolarHBondContact O-N 2.86Å; D782-N786 PolarHBondContact O-ND2 2.63Å; D782-N786 PolarHBondContact O-OD1 3.15Å
783A86.6Confident82.1Confident59 Ų5951.9 Ų51.949%0.48828%0.275SS..Hα-helixtrans-60-39.2176.100000112.6F781 I787F781-A783 VanDerWaalsContact C-N 3.34Å; F781-A783 PolarHBondContact O-N 2.87Å; A783-I787 WeakPolarHBondContact O-CD1 3.32Å; A783-I787 WeakPolarHBondContact O-CG1 3.44Å
784V88.5Confident83.1Confident0 Ų049.3 Ų49.30%027%0.271CS..Hα-helixtrans-80.8-37.5178.8178.90000111.2F714 L747 I757 L761 I765 F781 D782 N786 I787 C788F714-V784 HydrophobicContact CE1-CG1 3.74Å; F714-V784 HydrophobicContact CZ-CB 4.19Å; F714-V784 HydrophobicContact CZ-CG1 3.56Å; L747-V784 HydrophobicContact CD2-CG1 4.01Å; I757-V784 HydrophobicContact CD1-CG1 3.44Å; I757-V784 VanDerWaalsContact CD1-CG1 3.44Å; I757-V784 HydrophobicContact CG1-CG1 4.17Å; I757-V784 HydrophobicContact CG2-CG1 4.42Å; I757-V784 HydrophobicContact CG2-CG2 4.35Å; L761-V784 HydrophobicContact CB-CG2 4.28Å; I765-V784 HydrophobicContact CD1-CB 4.48Å; I765-V784 HydrophobicContact CD1-CG2 3.54Å; F781-V784 PolarHBondContact O-N 3.01Å; D782-V784 VanDerWaalsContact C-N 3.3Å; D782-V784 PolarHBondContact O-N 2.87Å; V784-N786 VanDerWaalsContact C-N 3.32Å; V784-N786 PolarHBondContact O-N 3.42Å; V784-I787 PolarHBondContact O-N 3.11Å; V784-C788 WeakPolarHBondContact O-CB 3.35Å; V784-C788 PolarHBondContact O-N 3.47Å; V784-C788 PolarHBondContact O-SG 2.84Å
785K88.9Confident84.4Confident26 Ų2646.7 Ų46.711%0.11326%0.255CS..Hα-helixtrans-55.7-46.4172.7169.3-174159.9176.80110.7D683 Y687 L715 F781 D782 C788 L789D683-K785 WeakPolarHBondContact OD1-CE 3.34Å; D683-K785 IonicContact OD1-NZ 3.8Å; D683-K785 PolarHBondContact OD1-NZ 3.47Å; D683-K785 IonicContact OD2-NZ 3.65Å; D683-K785 PolarHBondContact OD2-NZ 2.79Å; Y687-K785 VanDerWaalsContact OH-CE 3.22Å; Y687-K785 WeakPolarHBondContact OH-CE 3.44Å; Y687-K785 PolarHBondContact OH-NZ 2.97Å; L715-K785 HydrophobicContact CD2-CB 4.48Å; L715-K785 HydrophobicContact CD2-CG 3.94Å; F781-K785 WeakPolarHBondContact O-CB 3.32Å; F781-K785 PolarHBondContact O-N 3.45Å; D782-K785 PolarHBondContact O-N 3.33Å; K785-C788 CarbonylContact O-C 3.47Å; K785-C788 WeakPolarHBondContact O-CB 3.41Å; K785-C788 PolarHBondContact O-N 3.43Å; K785-L789 HydrophobicContact CD-CD1 4.46Å; K785-L789 HydrophobicContact CG-CD1 3.9Å; K785-L789 HydrophobicContact CG-CG 4.33Å; K785-L789 WeakPolarHBondContact O-CG 3.45Å; K785-L789 PolarHBondContact O-N 3.31Å
786N87Confident85.5Confident82 Ų8241.3 Ų41.344%0.43922%0.222SC..Hα-helixtrans-64-45.9-178.5-67-11.6000111.6D782 V784 C788 L789 D790D782-N786 WeakPolarHBondContact O-CB 3.42Å; D782-N786 PolarHBondContact O-N 2.86Å; D782-N786 PolarHBondContact O-ND2 2.63Å; D782-N786 PolarHBondContact O-OD1 3.15Å; V784-N786 VanDerWaalsContact C-N 3.32Å; V784-N786 PolarHBondContact O-N 3.42Å; N786-C788 VanDerWaalsContact C-N 3.26Å; N786-C788 PolarHBondContact O-N 2.86Å; N786-L789 WeakPolarHBondContact O-CB 3.35Å; N786-L789 PolarHBondContact O-N 3.31Å; N786-D790 PolarHBondContact O-N 3.25Å
787I87.9Confident86.2Confident80 Ų8042 Ų4241%0.4123%0.225SC..Hα-helixtrans-57.3-41.2173.2-64165.2000111.2L761 A783 V784 E791L761-I787 HydrophobicContact CD1-CD1 3.68Å; A783-I787 WeakPolarHBondContact O-CD1 3.32Å; A783-I787 WeakPolarHBondContact O-CG1 3.44Å; V784-I787 PolarHBondContact O-N 3.11Å; I787-E791 PolarHBondContact O-N 2.81Å
788C89.7Confident87Confident1 Ų144.7 Ų44.71%0.00723%0.233CC..Hα-helixtrans-66.7-35.5176.3-73.60000113.2I711 F714 L715 V784 K785 N786 I792I711-C788 HydrophobicContact CG2-CB 3.7Å; I711-C788 WeakPolarHBondContact CG2-O 3.49Å; F714-C788 HydrophobicContact CD1-CB 4.41Å; F714-C788 HydrophobicContact CE1-CB 4.4Å; L715-C788 HydrophobicContact CD1-CB 4.32Å; L715-C788 HydrophobicContact CD2-CB 3.96Å; L715-C788 HydrophobicContact CG-CB 4.19Å; V784-C788 WeakPolarHBondContact O-CB 3.35Å; V784-C788 PolarHBondContact O-N 3.47Å; V784-C788 PolarHBondContact O-SG 2.84Å; K785-C788 CarbonylContact O-C 3.47Å; K785-C788 WeakPolarHBondContact O-CB 3.41Å; K785-C788 PolarHBondContact O-N 3.43Å; N786-C788 VanDerWaalsContact C-N 3.26Å; N786-C788 PolarHBondContact O-N 2.86Å; C788-I792 WeakPolarHBondContact O-CB 3.5Å; C788-I792 WeakPolarHBondContact O-CG2 3.35Å; C788-I792 PolarHBondContact O-N 3.17Å; C788-I792 VanDerWaalsContact O-N 3.11Å
789L87.1Confident87.7Confident8 Ų843.8 Ų43.84%0.04223%0.227CC..Hα-helixtrans-70.5-46.3176-73.7170.1000111.3I678 I686 L715 K785 N786 E791 I792 Y793I678-L789 HydrophobicContact CD1-CB 3.85Å; I686-L789 HydrophobicContact CD1-CD2 3.75Å; L715-L789 HydrophobicContact CD1-CD2 4.07Å; L715-L789 HydrophobicContact CD2-CD2 4.32Å; L715-L789 HydrophobicContact CD2-CG 4.25Å; K785-L789 HydrophobicContact CD-CD1 4.46Å; K785-L789 HydrophobicContact CG-CD1 3.9Å; K785-L789 HydrophobicContact CG-CG 4.33Å; K785-L789 WeakPolarHBondContact O-CG 3.45Å; K785-L789 PolarHBondContact O-N 3.31Å; N786-L789 WeakPolarHBondContact O-CB 3.35Å; N786-L789 PolarHBondContact O-N 3.31Å; L789-E791 VanDerWaalsContact C-N 3.25Å; L789-E791 PolarHBondContact O-N 2.6Å; L789-I792 PolarHBondContact O-N 3.07Å; L789-Y793 WeakPolarHBondContact O-CB 3.33Å; L789-Y793 PolarHBondContact O-N 3.22Å
790D86.1Confident88.1Confident86 Ų8638 Ų3846%0.4620%0.2SC..Hα-helixtrans-55.8-40.3176.2-73.3-35.2000111.6N786 P794N786-D790 PolarHBondContact O-N 3.25Å; D790-P794 WeakPolarHBondContact O-CD 3.4Å
791E89.2Confident88.3Confident47 Ų4738.1 Ų38.122%0.2220%0.2CC..Hα-helixtrans-75-41.2178.3-172.2-178.8147.900113.7R707 Q708 I711 I787 L789 P794 F795R707-E791 IonicContact CZ-OE1 2.95Å; R707-E791 IonicContact CZ-OE2 3.85Å; R707-E791 IonicContact NH1-OE1 3.28Å; R707-E791 PolarHBondContact NH1-OE1 3.24Å; R707-E791 IonicContact NH1-OE2 2.65Å; R707-E791 PolarHBondContact NH1-OE2 3.37Å; R707-E791 IonicContact NH2-OE2 2.81Å; R707-E791 PolarHBondContact NH2-OE2 3.4Å; Q708-E791 PolarHBondContact NE2-OE1 3.12Å; I711-E791 HydrophobicContact CD1-CB 4.36Å; I711-E791 HydrophobicContact CD1-CG 4.12Å; I711-E791 VanDerWaalsContact CD1-OE1 3.25Å; I711-E791 WeakPolarHBondContact CD1-OE1 3.45Å; I787-E791 PolarHBondContact O-N 2.81Å; L789-E791 VanDerWaalsContact C-N 3.25Å; L789-E791 PolarHBondContact O-N 2.6Å; E791-P794 WeakPolarHBondContact O-CD 3.17Å; E791-F795 WeakPolarHBondContact O-CD2 3.21Å; E791-F795 WeakPolarHBondContact O-CE2 3.18Å
792I90.2Very high88.5Confident0 Ų040.7 Ų40.70%021%0.211CC..Hα-helixtrans-79.5-21.5-175.7-156.3168000112.8I686 F696 L700 I711 L712 L715 C788 L789 F795 W796I686-I792 HydrophobicContact CD1-CG2 4.02Å; F696-I792 HydrophobicContact CE1-CD1 3.71Å; F696-I792 HydrophobicContact CE1-CG1 3.89Å; F696-I792 HydrophobicContact CZ-CD1 4.16Å; F696-I792 HydrophobicContact CZ-CG1 3.88Å; L700-I792 HydrophobicContact CD1-CD1 4.44Å; I711-I792 HydrophobicContact CG2-CB 4.17Å; I711-I792 HydrophobicContact CG2-CD1 4.15Å; L712-I792 HydrophobicContact CB-CD1 3.75Å; L712-I792 HydrophobicContact CD1-CD1 4.1Å; L712-I792 HydrophobicContact CG-CD1 4.44Å; L715-I792 HydrophobicContact CD1-CD1 4.46Å; L715-I792 HydrophobicContact CD1-CG2 3.97Å; C788-I792 WeakPolarHBondContact O-CB 3.5Å; C788-I792 WeakPolarHBondContact O-CG2 3.35Å; C788-I792 PolarHBondContact O-N 3.17Å; C788-I792 VanDerWaalsContact O-N 3.11Å; L789-I792 PolarHBondContact O-N 3.07Å; I792-F795 PolarHBondContact O-N 3.39Å; I792-W796 PolarHBondContact O-N 2.72Å
793Y86.9Confident88.7Confident70 Ų7038.3 Ų38.328%0.27520%0.198SC..Hα-helixtrans-58.1-43-174.6178.2-94.9000115Y682 L789 F795 W796 I797Y682-Y793 AromaticContact CD1-CE2 3.97Å; Y682-Y793 HydrophobicContact CD1-CE2 3.97Å; Y682-Y793 HydrophobicContact CD2-CE2 4.28Å; Y682-Y793 AromaticContact CE1-CE2 3.63Å; Y682-Y793 HydrophobicContact CE1-CE2 3.63Å; Y682-Y793 AromaticContact CE2-CE2 3.94Å; Y682-Y793 HydrophobicContact CE2-CE2 3.94Å; Y682-Y793 HydrophobicContact CG-CE2 4.27Å; Y682-Y793 AromaticContact CZ-CE2 3.59Å; Y682-Y793 PolarHBondContact OH-OH 2.81Å; Y682-Y793 VanDerWaalsContact OH-OH 3.07Å; L789-Y793 WeakPolarHBondContact O-CB 3.33Å; L789-Y793 PolarHBondContact O-N 3.22Å; Y793-F795 PolarHBondContact O-N 3.28Å; Y793-W796 WeakPolarHBondContact O-CB 3.4Å; Y793-W796 PolarHBondContact O-N 3.04Å; Y793-I797 HydrophobicContact CD1-CG1 4.45Å; Y793-I797 HydrophobicContact CE1-CG1 3.97Å; Y793-I797 HydrophobicContact CE2-CD1 4.28Å; Y793-I797 HydrophobicContact CE2-CG1 4.24Å; Y793-I797 WeakPolarHBondContact O-CG1 3.43Å; Y793-I797 PolarHBondContact O-N 3.34Å
794P88.6Confident88.7Confident68 Ų6835.5 Ų35.544%0.44218%0.175SC..Hα-helixtrans-57.9-45.2173.6-25.635.8000112.9D790 E791 W796 I797 E798D790-P794 WeakPolarHBondContact O-CD 3.4Å; E791-P794 WeakPolarHBondContact O-CD 3.17Å; P794-W796 VanDerWaalsContact C-N 3.33Å; P794-W796 PolarHBondContact O-N 3.31Å; P794-I797 PolarHBondContact O-N 2.99Å; P794-I797 VanDerWaalsContact O-N 3.16Å; P794-E798 PolarHBondContact O-N 3.29Å
795F91.1Very high88.7Confident47 Ų4737 Ų3721%0.20618%0.182CC..Hα-helixtrans-67.8-32.9179-56.6-84000112.3F696 L700 L705 Q708 E791 I792 Y793 E798 Y799F696-F795 HydrophobicContact CE2-CB 4.45Å; F696-F795 HydrophobicContact CZ-CB 4.32Å; L700-F795 HydrophobicContact CD2-CB 4.16Å; L705-F795 HydrophobicContact CD1-CD1 3.63Å; L705-F795 HydrophobicContact CD1-CE1 3.96Å; L705-F795 HydrophobicContact CD2-CE1 4.06Å; Q708-F795 HydrophobicContact CG-CD1 4.39Å; Q708-F795 HydrophobicContact CG-CD2 3.56Å; Q708-F795 HydrophobicContact CG-CE1 4.33Å; Q708-F795 HydrophobicContact CG-CE2 3.5Å; Q708-F795 VanDerWaalsContact CG-CE2 3.5Å; Q708-F795 HydrophobicContact CG-CG 4.01Å; Q708-F795 HydrophobicContact CG-CZ 3.9Å; E791-F795 WeakPolarHBondContact O-CD2 3.21Å; E791-F795 WeakPolarHBondContact O-CE2 3.18Å; I792-F795 PolarHBondContact O-N 3.39Å; Y793-F795 PolarHBondContact O-N 3.28Å; F795-E798 PolarHBondContact O-N 2.97Å; F795-Y799 WeakPolarHBondContact O-CB 3.32Å; F795-Y799 PolarHBondContact O-N 3.5Å
796W89.3Confident88.6Confident0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-61.2-43.2170.6177.1-108.6000111.8V32 I686 F696 I792 Y793 P794 Y799 M800V32-W796 HydrophobicContact CB-CH2 4.44Å; V32-W796 HydrophobicContact CG2-CH2 3.81Å; V32-W796 HydrophobicContact CG2-CZ3 4.25Å; I686-W796 HydrophobicContact CG1-CD2 4.13Å; I686-W796 HydrophobicContact CG1-CE3 4.34Å; I686-W796 HydrophobicContact CG1-CG 4.34Å; F696-W796 HydrophobicContact CB-CE3 4.19Å; F696-W796 HydrophobicContact CB-CZ3 3.69Å; F696-W796 AromaticContact CD1-CE3 3.5Å; F696-W796 HydrophobicContact CD1-CE3 3.5Å; F696-W796 VanDerWaalsContact CD1-CE3 3.5Å; F696-W796 AromaticContact CD1-CZ3 3.74Å; F696-W796 HydrophobicContact CD1-CZ3 3.74Å; F696-W796 HydrophobicContact CD2-CE3 4.03Å; F696-W796 HydrophobicContact CD2-CZ3 4.36Å; F696-W796 AromaticContact CE1-CE3 3.73Å; F696-W796 HydrophobicContact CE1-CE3 3.73Å; F696-W796 HydrophobicContact CE1-CZ3 4.43Å; F696-W796 HydrophobicContact CE2-CE3 4.24Å; F696-W796 AromaticContact CG-CE3 3.64Å; F696-W796 HydrophobicContact CG-CE3 3.64Å; F696-W796 AromaticContact CG-CZ3 3.68Å; F696-W796 HydrophobicContact CG-CZ3 3.68Å; F696-W796 HydrophobicContact CZ-CB 4.17Å; F696-W796 HydrophobicContact CZ-CE3 4.09Å; I792-W796 PolarHBondContact O-N 2.72Å; Y793-W796 WeakPolarHBondContact O-CB 3.4Å; Y793-W796 PolarHBondContact O-N 3.04Å; P794-W796 VanDerWaalsContact C-N 3.33Å; P794-W796 PolarHBondContact O-N 3.31Å; W796-Y799 AromaticContact CE3-CD1 3.89Å; W796-Y799 HydrophobicContact CE3-CD1 3.89Å; W796-Y799 HydrophobicContact CE3-CE1 4.47Å; W796-Y799 HydrophobicContact CH2-CD1 4.14Å; W796-Y799 AromaticContact CH2-CE1 3.97Å; W796-Y799 HydrophobicContact CH2-CE1 3.97Å; W796-Y799 AromaticContact CZ3-CD1 3.65Å; W796-Y799 HydrophobicContact CZ3-CD1 3.65Å; W796-Y799 AromaticContact CZ3-CE1 3.78Å; W796-Y799 HydrophobicContact CZ3-CE1 3.78Å; W796-Y799 PolarHBondContact O-N 2.96Å; W796-M800 HydrophobicContact CD2-CG 4.28Å; W796-M800 HydrophobicContact CH2-CG 4.41Å; W796-M800 HydrophobicContact CH2-SD 4.12Å; W796-M800 HydrophobicContact CZ2-CE 3.8Å; W796-M800 HydrophobicContact CZ2-CG 3.87Å; W796-M800 HydrophobicContact CZ2-SD 3.8Å; W796-M800 WeakPolarHBondContact O-CB 3.31Å; W796-M800 VanDerWaalsContact O-CG 3.25Å; W796-M800 WeakPolarHBondContact O-CG 3.23Å; W796-M800 PolarHBondContact O-N 3.2Å
797I86.7Confident88.7Confident29 Ų2934.4 Ų34.415%0.14917%0.167CC..Hα-helixtrans-67.5-38.5176.1-65.5-64.1000111.6Y793 P794 M800 K801 I830Y793-I797 HydrophobicContact CD1-CG1 4.45Å; Y793-I797 HydrophobicContact CE1-CG1 3.97Å; Y793-I797 HydrophobicContact CE2-CD1 4.28Å; Y793-I797 HydrophobicContact CE2-CG1 4.24Å; Y793-I797 WeakPolarHBondContact O-CG1 3.43Å; Y793-I797 PolarHBondContact O-N 3.34Å; P794-I797 PolarHBondContact O-N 2.99Å; P794-I797 VanDerWaalsContact O-N 3.16Å; I797-M800 PolarHBondContact O-N 2.87Å; I797-K801 WeakPolarHBondContact O-CG 3.43Å; I797-K801 PolarHBondContact O-N 3.46Å; I797-I830 HydrophobicContact CD1-CB 4.24Å; I797-I830 HydrophobicContact CD1-CD1 4.37Å; I797-I830 HydrophobicContact CD1-CG2 3.91Å; I797-I830 HydrophobicContact CG2-CD1 4.3Å
798E88.8Confident88.5Confident103 Ų10333.1 Ų33.148%0.48116%0.159SC..Hα-helixtrans-66.1-43.4174.5-69.9-172.6153.200112.6P794 F795 M800 K801 F802P794-E798 PolarHBondContact O-N 3.29Å; F795-E798 PolarHBondContact O-N 2.97Å; E798-M800 PolarHBondContact O-N 3.45Å; E798-K801 PolarHBondContact O-N 3Å; E798-F802 WeakPolarHBondContact O-CB 3.49Å; E798-F802 PolarHBondContact O-N 3.43Å
799Y91.9Very high88.2Confident7 Ų734.7 Ų34.73%0.02717%0.169CC..Hα-helixtrans-55.9-49.8171.7164.3-113.8000111.8V32 F696 Y699 F795 W796 K801 F802 D803V32-Y799 WeakPolarHBondContact O-CE1 3.41Å; F696-Y799 HydrophobicContact CB-CD1 3.83Å; F696-Y799 HydrophobicContact CB-CE1 3.85Å; F696-Y799 HydrophobicContact CB-CG 4.22Å; F696-Y799 VanDerWaalsContact CD2-CB 3.48Å; F696-Y799 AromaticContact CD2-CD1 3.67Å; F696-Y799 HydrophobicContact CD2-CD1 3.67Å; F696-Y799 HydrophobicContact CD2-CD2 4.2Å; F696-Y799 AromaticContact CD2-CG 3.48Å; F696-Y799 HydrophobicContact CD2-CG 3.48Å; F696-Y799 VanDerWaalsContact CD2-CG 3.48Å; F696-Y799 HydrophobicContact CE2-CG 4.24Å; F696-Y799 HydrophobicContact CG-CD1 4Å; F696-Y799 HydrophobicContact CG-CG 4.23Å; Y699-Y799 HydrophobicContact CD1-CD2 4.11Å; Y699-Y799 HydrophobicContact CD1-CG 4.27Å; Y699-Y799 AromaticContact CD2-CD2 3.96Å; Y699-Y799 HydrophobicContact CD2-CD2 3.96Å; Y699-Y799 AromaticContact CG-CD2 3.62Å; Y699-Y799 HydrophobicContact CG-CD2 3.62Å; Y699-Y799 HydrophobicContact CG-CG 4.24Å; F795-Y799 WeakPolarHBondContact O-CB 3.32Å; F795-Y799 PolarHBondContact O-N 3.5Å; W796-Y799 AromaticContact CE3-CD1 3.89Å; W796-Y799 HydrophobicContact CE3-CD1 3.89Å; W796-Y799 HydrophobicContact CE3-CE1 4.47Å; W796-Y799 HydrophobicContact CH2-CD1 4.14Å; W796-Y799 AromaticContact CH2-CE1 3.97Å; W796-Y799 HydrophobicContact CH2-CE1 3.97Å; W796-Y799 AromaticContact CZ3-CD1 3.65Å; W796-Y799 HydrophobicContact CZ3-CD1 3.65Å; W796-Y799 AromaticContact CZ3-CE1 3.78Å; W796-Y799 HydrophobicContact CZ3-CE1 3.78Å; W796-Y799 PolarHBondContact O-N 2.96Å; Y799-K801 VanDerWaalsContact C-N 3.28Å; Y799-K801 PolarHBondContact O-N 3.47Å; Y799-F802 CarbonylContact O-C 3.56Å; Y799-F802 WeakPolarHBondContact O-CA 3.48Å; Y799-F802 WeakPolarHBondContact O-CB 3.37Å; Y799-F802 PolarHBondContact O-N 3.33Å; Y799-D803 HydrophobicContact CE2-CB 4.22Å; Y799-D803 WeakPolarHBondContact O-CB 3.49Å; Y799-D803 PolarHBondContact O-N 2.87Å
800M89.2Confident88Confident2 Ų235.1 Ų35.11%0.0117%0.174CC..Hα-helixtrans-66.2-30-178.3-71.3-71.2-100.100112.4S34 W796 I797 E798 A804 I830 L838S34-M800 WeakPolarHBondContact CB-O 3.25Å; W796-M800 HydrophobicContact CD2-CG 4.28Å; W796-M800 HydrophobicContact CH2-CG 4.41Å; W796-M800 HydrophobicContact CH2-SD 4.12Å; W796-M800 HydrophobicContact CZ2-CE 3.8Å; W796-M800 HydrophobicContact CZ2-CG 3.87Å; W796-M800 HydrophobicContact CZ2-SD 3.8Å; W796-M800 WeakPolarHBondContact O-CB 3.31Å; W796-M800 VanDerWaalsContact O-CG 3.25Å; W796-M800 WeakPolarHBondContact O-CG 3.23Å; W796-M800 PolarHBondContact O-N 3.2Å; I797-M800 PolarHBondContact O-N 2.87Å; E798-M800 PolarHBondContact O-N 3.45Å; M800-A804 PolarHBondContact O-N 3.48Å; M800-I830 HydrophobicContact CB-CD1 3.26Å; M800-I830 HydrophobicContact CG-CD1 4.48Å; M800-L838 HydrophobicContact CE-CD1 3.63Å; M800-L838 HydrophobicContact CE-CD2 3.96Å; M800-L838 HydrophobicContact CE-CG 4.41Å
801K88.5Confident87.8Confident27 Ų2731.5 Ų31.512%0.11716%0.156CC..Hα-helixtrans-69.8-39.9169.8-72.8179.3-178-1410112.1I797 E798 Y799 F805 P825 F828 D829 I830I797-K801 WeakPolarHBondContact O-CG 3.43Å; I797-K801 PolarHBondContact O-N 3.46Å; E798-K801 PolarHBondContact O-N 3Å; Y799-K801 VanDerWaalsContact C-N 3.28Å; Y799-K801 PolarHBondContact O-N 3.47Å; K801-F805 WeakPolarHBondContact O-CB 3.47Å; K801-F805 PolarHBondContact O-N 2.89Å; K801-P825 HydrophobicContact CB-CB 4.11Å; K801-F828 WeakPolarHBondContact CD-O 3.35Å; K801-F828 WeakPolarHBondContact CE-O 3.3Å; K801-F828 HydrophobicContact CG-CB 4.36Å; K801-F828 PolarHBondContact NZ-O 2.66Å; K801-D829 IonicContact NZ-OD1 3.16Å; K801-D829 PolarHBondContact NZ-OD1 2.96Å; K801-I830 HydrophobicContact CG-CD1 3.87Å; K801-I830 HydrophobicContact CG-CG1 3.97Å
802F90.6Very high87.1Confident56 Ų5631.4 Ų31.425%0.24616%0.156CC..Hα-helixtrans-65.9-43.8177173.2-94.4000111.9Y699 E798 Y799 A804 F805 Q806 P825Y699-F802 AromaticContact CD2-CD1 3.75Å; Y699-F802 HydrophobicContact CD2-CD1 3.75Å; Y699-F802 HydrophobicContact CD2-CE1 4.18Å; Y699-F802 HydrophobicContact CD2-CG 4.17Å; Y699-F802 HydrophobicContact CE2-CB 3.89Å; Y699-F802 AromaticContact CE2-CD1 3.86Å; Y699-F802 HydrophobicContact CE2-CD1 3.86Å; Y699-F802 HydrophobicContact CE2-CD2 4.38Å; Y699-F802 AromaticContact CE2-CG 3.78Å; Y699-F802 HydrophobicContact CE2-CG 3.78Å; E798-F802 WeakPolarHBondContact O-CB 3.49Å; E798-F802 PolarHBondContact O-N 3.43Å; Y799-F802 CarbonylContact O-C 3.56Å; Y799-F802 WeakPolarHBondContact O-CA 3.48Å; Y799-F802 WeakPolarHBondContact O-CB 3.37Å; Y799-F802 PolarHBondContact O-N 3.33Å; F802-A804 PolarHBondContact O-N 3.5Å; F802-F805 WeakPolarHBondContact O-CB 3.47Å; F802-F805 PolarHBondContact O-N 3Å; F802-Q806 HydrophobicContact CD1-CG 4.2Å; F802-Q806 HydrophobicContact CE1-CG 3.76Å; F802-Q806 HydrophobicContact CE2-CG 4.16Å; F802-Q806 HydrophobicContact CZ-CG 3.73Å; F802-Q806 WeakPolarHBondContact O-CG 3.13Å; F802-Q806 PolarHBondContact O-N 3.03Å; F802-P825 HydrophobicContact CB-CG 4.31Å; F802-P825 HydrophobicContact CD2-CG 4.16Å
803D89.9Confident86Confident7 Ų733.4 Ų33.44%0.03716%0.164CC..Hα-helixtrans-61-44.2177.4-175.566.7000112S34 R80 Y799 Q806 F807S34-D803 VanDerWaalsContact CB-OD2 3.3Å; S34-D803 WeakPolarHBondContact CB-OD2 3.08Å; S34-D803 PolarHBondContact N-OD2 2.89Å; S34-D803 PolarHBondContact OG-OD2 3.34Å; R80-D803 IonicContact CZ-OD1 2.99Å; R80-D803 IonicContact CZ-OD2 3.1Å; R80-D803 IonicContact NH1-OD1 3.31Å; R80-D803 PolarHBondContact NH1-OD1 3.06Å; R80-D803 IonicContact NH2-OD1 2.69Å; R80-D803 PolarHBondContact NH2-OD1 2.77Å; R80-D803 IonicContact NH2-OD2 2.91Å; R80-D803 PolarHBondContact NH2-OD2 2.98Å; Y799-D803 HydrophobicContact CE2-CB 4.22Å; Y799-D803 WeakPolarHBondContact O-CB 3.49Å; Y799-D803 PolarHBondContact O-N 2.87Å; D803-Q806 PolarHBondContact O-N 3.09Å; D803-F807 PolarHBondContact O-N 2.85Å
804A87Confident84.7Confident0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-64-43.917500000111.7S34 M800 F802 Q806 F807 F808 F828 V840S34-A804 VanDerWaalsContact OG-CA 3.28Å; S34-A804 WeakPolarHBondContact OG-CA 3.49Å; S34-A804 PolarHBondContact OG-N 3.34Å; M800-A804 PolarHBondContact O-N 3.48Å; F802-A804 PolarHBondContact O-N 3.5Å; A804-Q806 PolarHBondContact O-N 2.93Å; A804-F807 PolarHBondContact O-N 2.85Å; A804-F808 WeakPolarHBondContact O-CD2 3.38Å; A804-F808 PolarHBondContact O-N 3.33Å; A804-F828 HydrophobicContact CB-CD1 4.43Å; A804-F828 HydrophobicContact CB-CG 4.47Å; A804-V840 HydrophobicContact CB-CG1 3.77Å
805F88.2Confident83.1Confident32 Ų3237.4 Ų37.414%0.1419%0.188CC..Hα-helixtrans-58.6-45.3176.1170.6-91.8000112K801 F802 F807 F808 C809 P822 P825 F828K801-F805 WeakPolarHBondContact O-CB 3.47Å; K801-F805 PolarHBondContact O-N 2.89Å; F802-F805 WeakPolarHBondContact O-CB 3.47Å; F802-F805 PolarHBondContact O-N 3Å; F805-F807 PolarHBondContact O-N 2.92Å; F805-F808 PolarHBondContact O-N 3.41Å; F805-C809 VanDerWaalsContact CZ-SG 3.53Å; F805-C809 WeakPolarHBondContact O-CB 3.35Å; F805-C809 PolarHBondContact O-N 3Å; F805-C809 PolarHBondContact O-SG 2.89Å; F805-P822 HydrophobicContact CD2-CB 3.96Å; F805-P822 HydrophobicContact CD2-CG 4.09Å; F805-P822 HydrophobicContact CE2-CB 4.11Å; F805-P822 HydrophobicContact CE2-CG 4.23Å; F805-P825 HydrophobicContact CB-CB 4.3Å; F805-P825 HydrophobicContact CB-CG 4.04Å; F805-P825 HydrophobicContact CD1-CG 4.05Å; F805-P825 HydrophobicContact CD2-CG 4.46Å; F805-P825 HydrophobicContact CG-CG 3.93Å; F805-F828 HydrophobicContact CB-CD2 4.17Å; F805-F828 HydrophobicContact CB-CE2 3.91Å; F805-F828 HydrophobicContact CD2-CE2 4.24Å
806Q87.8Confident81.5Confident51 Ų5138.5 Ų38.524%0.23820%0.196CC..Hα-helixtrans-59.2-46.2177.4-71.6-7572.400111.7F802 D803 A804 C809 A810F802-Q806 HydrophobicContact CD1-CG 4.2Å; F802-Q806 HydrophobicContact CE1-CG 3.76Å; F802-Q806 HydrophobicContact CE2-CG 4.16Å; F802-Q806 HydrophobicContact CZ-CG 3.73Å; F802-Q806 WeakPolarHBondContact O-CG 3.13Å; F802-Q806 PolarHBondContact O-N 3.03Å; D803-Q806 PolarHBondContact O-N 3.09Å; A804-Q806 PolarHBondContact O-N 2.93Å; Q806-C809 PolarHBondContact O-N 3.31Å; Q806-A810 PolarHBondContact O-N 2.8Å; Q806-A810 VanDerWaalsContact O-N 3.15Å
807F87.1Confident79.7Confident2 Ų247 Ų471%0.00924%0.236CC..Hα-helixtrans-62.1-49.9175.2177-103.3000112L35 L37 L62 V72 W75 D803 A804 F805 C809 A810 A811L35-F807 HydrophobicContact CD1-CB 4.2Å; L35-F807 HydrophobicContact CD1-CD1 3.38Å; L35-F807 HydrophobicContact CD1-CE1 4.06Å; L35-F807 HydrophobicContact CD1-CG 4.04Å; L37-F807 HydrophobicContact CD1-CD2 3.68Å; L37-F807 HydrophobicContact CD1-CE2 3.6Å; L37-F807 HydrophobicContact CD1-CG 4.35Å; L37-F807 HydrophobicContact CD1-CZ 4.21Å; L37-F807 HydrophobicContact CD2-CE1 4.09Å; L37-F807 HydrophobicContact CD2-CE2 3.84Å; L37-F807 HydrophobicContact CD2-CZ 3.58Å; L37-F807 HydrophobicContact CG-CE2 4.4Å; L62-F807 HydrophobicContact CD1-CE1 4.45Å; L62-F807 HydrophobicContact CD1-CZ 4.28Å; V72-F807 HydrophobicContact CG1-CE2 4.15Å; W75-F807 HydrophobicContact CD2-CD2 4.44Å; W75-F807 HydrophobicContact CE3-CD2 4.1Å; W75-F807 HydrophobicContact CH2-CB 4.25Å; W75-F807 AromaticContact CH2-CD2 3.62Å; W75-F807 HydrophobicContact CH2-CD2 3.62Å; W75-F807 HydrophobicContact CH2-CE2 4.48Å; W75-F807 HydrophobicContact CH2-CG 4.36Å; W75-F807 HydrophobicContact CZ2-CB 3.83Å; W75-F807 AromaticContact CZ2-CD2 3.98Å; W75-F807 HydrophobicContact CZ2-CD2 3.98Å; W75-F807 HydrophobicContact CZ2-CG 4.4Å; W75-F807 AromaticContact CZ3-CD2 3.69Å; W75-F807 HydrophobicContact CZ3-CD2 3.69Å; W75-F807 HydrophobicContact CZ3-CE2 4.23Å; D803-F807 PolarHBondContact O-N 2.85Å; A804-F807 PolarHBondContact O-N 2.85Å; F805-F807 PolarHBondContact O-N 2.92Å; F807-C809 VanDerWaalsContact C-N 3.25Å; F807-C809 PolarHBondContact O-N 2.89Å; F807-A810 PolarHBondContact O-N 3.11Å; F807-A811 HydrophobicContact CE1-CB 4.23Å; F807-A811 HydrophobicContact CZ-CB 4.28Å; F807-A811 WeakPolarHBondContact O-CB 3.29Å; F807-A811 PolarHBondContact O-N 3.42Å
808F84Confident78.2Confident53 Ų5353.1 Ų53.123%0.23227%0.269CS..Hα-helixtrans-64.5-26.3-178.8-88.3-72.8000113.7L35 A804 F805 H812 P822 F828L35-F808 HydrophobicContact CD1-CD2 4.18Å; L35-F808 HydrophobicContact CD1-CE2 3.84Å; A804-F808 WeakPolarHBondContact O-CD2 3.38Å; A804-F808 PolarHBondContact O-N 3.33Å; F805-F808 PolarHBondContact O-N 3.41Å; F808-H812 PolarHBondContact O-N 3.46Å; F808-P822 HydrophobicContact CB-CG 4.19Å; F808-F828 HydrophobicContact CB-CZ 3.85Å; F808-F828 AromaticContact CD2-CE1 3.39Å; F808-F828 HydrophobicContact CD2-CE1 3.39Å; F808-F828 AromaticContact CD2-CZ 3.46Å; F808-F828 HydrophobicContact CD2-CZ 3.46Å; F808-F828 VanDerWaalsContact CD2-CZ 3.46Å; F808-F828 AromaticContact CE2-CE1 3.66Å; F808-F828 HydrophobicContact CE2-CE1 3.66Å; F808-F828 HydrophobicContact CE2-CZ 4.21Å; F808-F828 HydrophobicContact CG-CE1 4.09Å; F808-F828 AromaticContact CG-CZ 3.79Å; F808-F828 HydrophobicContact CG-CZ 3.79Å
809C84.3Confident76.8Confident33 Ų3354.2 Ų54.222%0.22327%0.27CS..Hα-helixtrans-72.4-45.2171.8-75.60000112.1F805 Q806 F807 A811 H812F805-C809 VanDerWaalsContact CZ-SG 3.53Å; F805-C809 WeakPolarHBondContact O-CB 3.35Å; F805-C809 PolarHBondContact O-N 3Å; F805-C809 PolarHBondContact O-SG 2.89Å; Q806-C809 PolarHBondContact O-N 3.31Å; F807-C809 VanDerWaalsContact C-N 3.25Å; F807-C809 PolarHBondContact O-N 2.89Å; C809-A811 VanDerWaalsContact C-N 3.34Å; C809-H812 PolarHBondContact O-N 3.19Å
810A83.5Confident75.4Confident17 Ų1759.3 Ų59.314%0.1430%0.295CS..Hα-helixtrans-64.1-40.417500000112.3W75 Q806 F807 H812W75-A810 HydrophobicContact CB-CB 3.46Å; W75-A810 VanDerWaalsContact CB-CB 3.46Å; W75-A810 HydrophobicContact CD2-CB 4.4Å; W75-A810 HydrophobicContact CG-CB 3.6Å; Q806-A810 PolarHBondContact O-N 2.8Å; Q806-A810 VanDerWaalsContact O-N 3.15Å; F807-A810 PolarHBondContact O-N 3.11Å; A810-H812 VanDerWaalsContact C-N 3.3Å; A810-H812 PolarHBondContact O-N 2.92Å
811A80.6Confident74.6Confident11 Ų1164 Ų649%0.09132%0.318CS..THydrogen-bonded Turntrans-75.6-7.2178.900000114.8L62 V72 F807 C809 K813L62-A811 HydrophobicContact CD2-CB 3.87Å; V72-A811 HydrophobicContact CG2-CB 4.36Å; F807-A811 HydrophobicContact CE1-CB 4.23Å; F807-A811 HydrophobicContact CZ-CB 4.28Å; F807-A811 WeakPolarHBondContact O-CB 3.29Å; F807-A811 PolarHBondContact O-N 3.42Å; C809-A811 VanDerWaalsContact C-N 3.34Å; A811-K813 PolarHBondContact O-N 3.34Å
812H75.1Confident74.1Confident45 Ų4562.8 Ų62.821%0.20831%0.313CS..  trans-66.8131.4-175.2-175.2-91.3000111.5R71 F808 C809 A810 Y819 M821R71-H812 PolarHBondContact NH2-O 3.35Å; F808-H812 PolarHBondContact O-N 3.46Å; C809-H812 PolarHBondContact O-N 3.19Å; A810-H812 VanDerWaalsContact C-N 3.3Å; A810-H812 PolarHBondContact O-N 2.92Å; H812-Y819 PolarHBondContact NE2-O 3.12Å; H812-M821 HydrophobicContact CB-CG 4.28Å
813K68Low73.6Confident41 Ų4168.3 Ų68.318%0.17834%0.337CS..  trans-88.2113.6177.4-73.9178.8172.61780110.9R61 A811 K815 D816R61-K813 WeakPolarHBondContact O-CE 3.39Å; R61-K813 PolarHBondContact O-NZ 3.46Å; A811-K813 PolarHBondContact O-N 3.34Å; K813-K815 PolarHBondContact O-N 3.14Å; K813-D816 HydrophobicContact CB-CB 4.26Å; K813-D816 WeakPolarHBondContact CB-OD2 3.5Å; K813-D816 WeakPolarHBondContact CD-OD2 3.36Å; K813-D816 PolarHBondContact O-N 3.37Å
814S59.2Low73.3Confident94 Ų9469.8 Ų69.866%0.65735%0.348SS*.THydrogen-bonded Turntrans-61.7-9178.857.20000115.4
815K55.4Low73Confident128 Ų12871.4 Ų71.456%0.55736%0.358SS*.THydrogen-bonded Turntrans-105.4-10.9-175.2-61.6165.3-170.2162.70113.3S65 E67 K813 E817S65-K815 PolarHBondContact OG-NZ 3.09Å; E67-K815 IonicContact OE1-NZ 3.83Å; E67-K815 PolarHBondContact OE1-NZ 2.99Å; K813-K815 PolarHBondContact O-N 3.14Å; K815-E817 PolarHBondContact O-N 3.42Å
816D56.9Low72.8Confident70 Ų7074.8 Ų74.837%0.37438%0.378SS..  trans-97.183-175.6-68.9-17.2000111.6K813 D818 Y819K813-D816 HydrophobicContact CB-CB 4.26Å; K813-D816 WeakPolarHBondContact CB-OD2 3.5Å; K813-D816 WeakPolarHBondContact CD-OD2 3.36Å; K813-D816 PolarHBondContact O-N 3.37Å; D816-D818 PolarHBondContact O-N 2.96Å; D816-D818 VanDerWaalsContact O-N 3.12Å; D816-Y819 HydrophobicContact CB-CD2 4.46Å; D816-Y819 PolarHBondContact O-N 3.42Å; D816-Y819 VanDerWaalsContact O-N 3.08Å
817E51.4Low72.5Confident179 Ų17974.5 Ų74.584%0.83638%0.378SS*.THydrogen-bonded Turntrans-55-30.1-178.6-70.4-168.3167.100114.2K815 Y819K815-E817 PolarHBondContact O-N 3.42Å; E817-Y819 VanDerWaalsContact C-N 3.29Å; E817-Y819 PolarHBondContact O-N 3.15Å
818D55.4Low72.3Confident158 Ų15874.4 Ų74.485%0.84538%0.378SS*.THydrogen-bonded Turntrans-72.4-19.4-178.9-69.1-46.5000113.3D816D816-D818 PolarHBondContact O-N 2.96Å; D816-D818 VanDerWaalsContact O-N 3.12Å
819Y58.4Low72.1Confident126 Ų12674.9 Ų74.949%0.49438%0.382SS..SBendtrans-109.888.8179.2-74-78.9000111.4H812 D816 E817 M821H812-Y819 PolarHBondContact NE2-O 3.12Å; D816-Y819 HydrophobicContact CB-CD2 4.46Å; D816-Y819 PolarHBondContact O-N 3.42Å; D816-Y819 VanDerWaalsContact O-N 3.08Å; E817-Y819 VanDerWaalsContact C-N 3.29Å; E817-Y819 PolarHBondContact O-N 3.15Å; Y819-M821 PolarHBondContact O-N 3.28Å
820M63.8Low71.8Confident114 Ų11474.5 Ų74.556%0.56238%0.378SS*.PPolyproline II helixtrans-56.2134.6172.8-54.7-140.59100111.1R842 I845M820-R842 PolarHBondContact O-NH1 3.17Å; M820-R842 PolarHBondContact O-NH2 2.92Å; M820-I845 HydrophobicContact CB-CD1 4.01Å
821M72.3Confident71.4Confident100 Ų10077.8 Ų77.849%0.49339%0.393SS..PPolyproline II helixtrans-55.8141.3170.6-167.1-176.981.500110.1H812 Y819H812-M821 HydrophobicContact CB-CG 4.28Å; Y819-M821 PolarHBondContact O-N 3.28Å
822P77.5Confident70.9Confident1 Ų180.4 Ų80.41%0.00641%0.405CS..PPolyproline II helixtrans-61.8144.9170.528.2-35.1000110.2F805 F808 D827 F828F805-P822 HydrophobicContact CD2-CB 3.96Å; F805-P822 HydrophobicContact CD2-CG 4.09Å; F805-P822 HydrophobicContact CE2-CB 4.11Å; F805-P822 HydrophobicContact CE2-CG 4.23Å; F808-P822 HydrophobicContact CB-CG 4.19Å; P822-D827 VanDerWaalsContact CA-OD2 3.24Å; P822-D827 WeakPolarHBondContact CA-OD2 3.4Å; P822-D827 HydrophobicContact CB-CB 4.3Å; P822-F828 HydrophobicContact CB-CE2 3.93Å; P822-F828 HydrophobicContact CB-CZ 4.23Å; P822-F828 HydrophobicContact CG-CE2 4.28Å; P822-F828 HydrophobicContact CG-CZ 4.32Å
823K79.5Confident70.5Confident172 Ų17280.2 Ų80.275%0.74841%0.405SS*.  trans-103.5-19.5-177.1-63.7179.2-178.2175.60112.7D827K823-D827 PolarHBondContact N-OD2 2.91Å
824S83.2Confident70.2Confident39 Ų3987.5 Ų87.527%0.27344%0.44SS..SBendtrans-155.3152.8-178.8-177.20000110.6N826 D827S824-N826 PolarHBondContact O-N 2.92Å; S824-N826 VanDerWaalsContact O-N 3.1Å; S824-N826 PolarHBondContact OG-N 2.88Å; S824-D827 VanDerWaalsContact O-CB 3.3Å; S824-D827 WeakPolarHBondContact O-CB 3.21Å; S824-D827 PolarHBondContact O-N 3.31Å
825P82.5Confident70.3Confident33 Ų3388.6 Ų88.621%0.21444%0.438CS..G310 helixtrans-49.5-27.5161.4-29.437.1000113.7K801 F802 F805 D827 F828K801-P825 HydrophobicContact CB-CB 4.11Å; F802-P825 HydrophobicContact CB-CG 4.31Å; F802-P825 HydrophobicContact CD2-CG 4.16Å; F805-P825 HydrophobicContact CB-CB 4.3Å; F805-P825 HydrophobicContact CB-CG 4.04Å; F805-P825 HydrophobicContact CD1-CG 4.05Å; F805-P825 HydrophobicContact CD2-CG 4.46Å; F805-P825 HydrophobicContact CG-CG 3.93Å; P825-D827 PolarHBondContact O-N 3.27Å; P825-F828 PolarHBondContact O-N 3.46Å
826N83Confident70.5Confident103 Ų10384.6 Ų84.655%0.55143%0.427SS*.G310 helixtrans-66.3-10.9175.3-73.4-46.3000114.8S824 F828 K843S824-N826 PolarHBondContact O-N 2.92Å; S824-N826 VanDerWaalsContact O-N 3.1Å; S824-N826 PolarHBondContact OG-N 2.88Å; N826-F828 PolarHBondContact O-N 3.12Å; N826-K843 WeakPolarHBondContact O-CD 3.44Å; N826-K843 WeakPolarHBondContact O-CE 3.33Å; N826-K843 PolarHBondContact O-NZ 2.98Å
827D81.5Confident70.9Confident46 Ų4683.8 Ų83.825%0.24642%0.423CS..G310 helixtrans-73.2-7.6170.4-64.9-11.2000112.6P822 K823 S824 P825 K843P822-D827 VanDerWaalsContact CA-OD2 3.24Å; P822-D827 WeakPolarHBondContact CA-OD2 3.4Å; P822-D827 HydrophobicContact CB-CB 4.3Å; K823-D827 PolarHBondContact N-OD2 2.91Å; S824-D827 VanDerWaalsContact O-CB 3.3Å; S824-D827 WeakPolarHBondContact O-CB 3.21Å; S824-D827 PolarHBondContact O-N 3.31Å; P825-D827 PolarHBondContact O-N 3.27Å; D827-K843 WeakPolarHBondContact O-CB 3.49Å; D827-K843 PolarHBondContact O-N 3.15Å
828F82.1Confident71.7Confident0 Ų077 Ų770%039%0.392CS..EExtended strand (participates in β ladder)trans-109.9143.2176.2-61.4-85.7000110.8K801 A804 F805 F808 P822 P825 N826 V840 R842K801-F828 WeakPolarHBondContact CD-O 3.35Å; K801-F828 WeakPolarHBondContact CE-O 3.3Å; K801-F828 HydrophobicContact CG-CB 4.36Å; K801-F828 PolarHBondContact NZ-O 2.66Å; A804-F828 HydrophobicContact CB-CD1 4.43Å; A804-F828 HydrophobicContact CB-CG 4.47Å; F805-F828 HydrophobicContact CB-CD2 4.17Å; F805-F828 HydrophobicContact CB-CE2 3.91Å; F805-F828 HydrophobicContact CD2-CE2 4.24Å; F808-F828 HydrophobicContact CB-CZ 3.85Å; F808-F828 AromaticContact CD2-CE1 3.39Å; F808-F828 HydrophobicContact CD2-CE1 3.39Å; F808-F828 AromaticContact CD2-CZ 3.46Å; F808-F828 HydrophobicContact CD2-CZ 3.46Å; F808-F828 VanDerWaalsContact CD2-CZ 3.46Å; F808-F828 AromaticContact CE2-CE1 3.66Å; F808-F828 HydrophobicContact CE2-CE1 3.66Å; F808-F828 HydrophobicContact CE2-CZ 4.21Å; F808-F828 HydrophobicContact CG-CE1 4.09Å; F808-F828 AromaticContact CG-CZ 3.79Å; F808-F828 HydrophobicContact CG-CZ 3.79Å; P822-F828 HydrophobicContact CB-CE2 3.93Å; P822-F828 HydrophobicContact CB-CZ 4.23Å; P822-F828 HydrophobicContact CG-CE2 4.28Å; P822-F828 HydrophobicContact CG-CZ 4.32Å; P825-F828 PolarHBondContact O-N 3.46Å; N826-F828 PolarHBondContact O-N 3.12Å; F828-V840 HydrophobicContact CB-CG1 4.22Å; F828-V840 HydrophobicContact CD1-CG1 3.87Å; F828-V840 HydrophobicContact CG-CG1 4.38Å; F828-R842 HydrophobicContact CD1-CB 4.03Å; F828-R842 HydrophobicContact CD1-CG 4.27Å; F828-R842 HydrophobicContact CE1-CB 3.86Å; F828-R842 HydrophobicContact CE1-CG 3.92Å; F828-R842 HydrophobicContact CZ-CG 4.38Å
829D81.1Confident72.3Confident62 Ų6271.8 Ų71.833%0.33236%0.363SS..EExtended strand (participates in β ladder)trans-116.3154.5163.7-75.2-32.1000110.1K801 R841 K843K801-D829 IonicContact NZ-OD1 3.16Å; K801-D829 PolarHBondContact NZ-OD1 2.96Å; D829-R841 PolarHBondContact N-O 2.75Å; D829-R841 PolarHBondContact O-N 2.75Å; D829-K843 WeakPolarHBondContact OD1-CE 3.1Å; D829-K843 IonicContact OD1-NZ 3.15Å; D829-K843 PolarHBondContact OD1-NZ 3.42Å; D829-K843 WeakPolarHBondContact OD2-CE 3.34Å; D829-K843 IonicContact OD2-NZ 2.59Å
830I78.4Confident73Confident26 Ų2666.5 Ų66.513%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-117.9126.5179-61.2-173.8000107.1I797 M800 K801 L838 V840I797-I830 HydrophobicContact CD1-CB 4.24Å; I797-I830 HydrophobicContact CD1-CD1 4.37Å; I797-I830 HydrophobicContact CD1-CG2 3.91Å; I797-I830 HydrophobicContact CG2-CD1 4.3Å; M800-I830 HydrophobicContact CB-CD1 3.26Å; M800-I830 HydrophobicContact CG-CD1 4.48Å; K801-I830 HydrophobicContact CG-CD1 3.87Å; K801-I830 HydrophobicContact CG-CG1 3.97Å; I830-L838 HydrophobicContact CG2-CD1 3.93Å; I830-L838 HydrophobicContact CG2-CD2 3.67Å; I830-L838 HydrophobicContact CG2-CG 3.55Å; I830-V840 HydrophobicContact CG1-CG2 4.34Å
831L74.7Confident73.5Confident86 Ų8667.4 Ų67.445%0.4534%0.341SS..EExtended strand (participates in β ladder)trans-122.6160.1-178.2-58174.8000108.6I839 R841L831-I839 PolarHBondContact N-O 3.24Å; L831-I839 PolarHBondContact O-N 3Å; L831-R841 HydrophobicContact CD1-CB 4.3Å
832L69.6Low73.5Confident66 Ų6665.2 Ų65.235%0.34633%0.327SS..EExtended strand (participates in β ladder)trans-100.9141.2160.8-67.3-173.3000109.7P679 Y682 S836 N837 L838P679-L832 HydrophobicContact CB-CD1 4.36Å; P679-L832 HydrophobicContact CG-CD1 3.86Å; Y682-L832 HydrophobicContact CE1-CD2 4.44Å; Y682-L832 HydrophobicContact CE2-CD1 3.82Å; Y682-L832 HydrophobicContact CE2-CD2 4.45Å; Y682-L832 WeakPolarHBondContact OH-CD1 3.17Å; Y682-L832 VanDerWaalsContact OH-CD2 3.3Å; Y682-L832 WeakPolarHBondContact OH-CD2 3.49Å; Y682-L832 WeakPolarHBondContact OH-CG 3.25Å; L832-S836 WeakPolarHBondContact CD2-O 3.48Å; L832-N837 WeakPolarHBondContact CA-O 3.42Å; L832-L838 HydrophobicContact CD2-CB 4.46Å
833D65.8Low73.3Confident41 Ų4168.9 Ų68.922%0.21934%0.343CS..  trans-77.6165.9162125.874.1000110.8N835 S836 N837 I839D833-N835 VanDerWaalsContact CG-N 3.28Å; D833-N835 PolarHBondContact O-N 2.83Å; D833-N835 VanDerWaalsContact O-N 3.13Å; D833-N835 PolarHBondContact OD1-N 3.04Å; D833-N835 PolarHBondContact OD1-ND2 3.37Å; D833-N835 VanDerWaalsContact OD2-CB 3.28Å; D833-N835 WeakPolarHBondContact OD2-CB 3.25Å; D833-N835 PolarHBondContact OD2-N 3.39Å; D833-N835 PolarHBondContact OD2-ND2 3.21Å; D833-S836 WeakPolarHBondContact O-CA 3.33Å; D833-S836 PolarHBondContact O-N 3.48Å; D833-N837 HydrophobicContact CB-CB 4.47Å; D833-N837 PolarHBondContact N-O 3.33Å; D833-N837 WeakPolarHBondContact OD2-CB 3.36Å; D833-N837 PolarHBondContact OD2-N 3.32Å; D833-N837 PolarHBondContact OD2-ND2 3.4Å; D833-I839 HydrophobicContact CB-CD1 3.49Å; D833-I839 VanDerWaalsContact CB-CD1 3.49Å; D833-I839 HydrophobicContact CB-CG1 4.18Å
834E61.9Low72.5Confident194 Ų19465.7 Ų65.791%0.90734%0.34SS*.THydrogen-bonded Turntrans-53.4-30.3176.1-58.5-177.6168.700112.7S836E834-S836 VanDerWaalsContact C-N 3.28Å; E834-S836 PolarHBondContact O-N 3.05Å
835N61.8Low71.5Confident116 Ų11668 Ų6862%0.6235%0.349SS*.THydrogen-bonded Turntrans-86.713.1176.4-48.5-97.9000113.5D833 N837D833-N835 VanDerWaalsContact CG-N 3.28Å; D833-N835 PolarHBondContact O-N 2.83Å; D833-N835 VanDerWaalsContact O-N 3.13Å; D833-N835 PolarHBondContact OD1-N 3.04Å; D833-N835 PolarHBondContact OD1-ND2 3.37Å; D833-N835 VanDerWaalsContact OD2-CB 3.28Å; D833-N835 WeakPolarHBondContact OD2-CB 3.25Å; D833-N835 PolarHBondContact OD2-N 3.39Å; D833-N835 PolarHBondContact OD2-ND2 3.21Å; N835-N837 PolarHBondContact O-N 3.16Å
836S60.4Low70.1Confident45 Ų4575.2 Ų75.232%0.31538%0.38SS..  trans64.810.1-175.1-58.10000116.6E681 L832 D833 E834 L838E681-S836 WeakPolarHBondContact OE2-CB 3.3Å; L832-S836 WeakPolarHBondContact CD2-O 3.48Å; D833-S836 WeakPolarHBondContact O-CA 3.33Å; D833-S836 PolarHBondContact O-N 3.48Å; E834-S836 VanDerWaalsContact C-N 3.28Å; E834-S836 PolarHBondContact O-N 3.05Å; S836-L838 PolarHBondContact O-N 2.95Å
837N64.3Low68.7Low53 Ų5376.5 Ų76.528%0.28339%0.385SS..  trans-66.6135.6171.4-64.8-81.5000111.1L832 D833 N835 I839L832-N837 WeakPolarHBondContact CA-O 3.42Å; D833-N837 HydrophobicContact CB-CB 4.47Å; D833-N837 PolarHBondContact N-O 3.33Å; D833-N837 WeakPolarHBondContact OD2-CB 3.36Å; D833-N837 PolarHBondContact OD2-N 3.32Å; D833-N837 PolarHBondContact OD2-ND2 3.4Å; N835-N837 PolarHBondContact O-N 3.16Å; N837-I839 PolarHBondContact O-N 2.88Å
838L68.4Low67.1Low37 Ų3779 Ų7919%0.19440%0.404CS..EExtended strand (participates in β ladder)trans-71.8117.3171.5-169155000110.3M800 I830 L832 S836 V840M800-L838 HydrophobicContact CE-CD1 3.63Å; M800-L838 HydrophobicContact CE-CD2 3.96Å; M800-L838 HydrophobicContact CE-CG 4.41Å; I830-L838 HydrophobicContact CG2-CD1 3.93Å; I830-L838 HydrophobicContact CG2-CD2 3.67Å; I830-L838 HydrophobicContact CG2-CG 3.55Å; L832-L838 HydrophobicContact CD2-CB 4.46Å; S836-L838 PolarHBondContact O-N 2.95Å; L838-V840 HydrophobicContact CD2-CG2 3.81Å
839I68.6Low65.2Low48 Ų4885.1 Ų85.125%0.24644%0.444CS..EExtended strand (participates in β ladder)trans-109.6119.2176.6-65.6-178.4000109.1C52 L831 D833 N837C52-I839 HydrophobicContact CB-CD1 4.14Å; C52-I839 HydrophobicContact CB-CG1 4.27Å; L831-I839 PolarHBondContact N-O 3.24Å; L831-I839 PolarHBondContact O-N 3Å; D833-I839 HydrophobicContact CB-CD1 3.49Å; D833-I839 VanDerWaalsContact CB-CD1 3.49Å; D833-I839 HydrophobicContact CB-CG1 4.18Å; N837-I839 PolarHBondContact O-N 2.88Å
840V73.2Confident63.4Low15 Ų1589.3 Ų89.39%0.09146%0.459CS..EExtended strand (participates in β ladder)trans-87.4116.8169.2-177.80000109.3S34 L35 A804 F828 I830 L838S34-V840 WeakPolarHBondContact O-CG2 3.32Å; L35-V840 HydrophobicContact CD2-CB 4.31Å; A804-V840 HydrophobicContact CB-CG1 3.77Å; F828-V840 HydrophobicContact CB-CG1 4.22Å; F828-V840 HydrophobicContact CD1-CG1 3.87Å; F828-V840 HydrophobicContact CG-CG1 4.38Å; I830-V840 HydrophobicContact CG1-CG2 4.34Å; L838-V840 HydrophobicContact CD2-CG2 3.81Å
841R73.1Confident61.7Low132 Ų13293.6 Ų93.650%0.49849%0.491SS..EExtended strand (participates in β ladder)trans-111.4124.1176.5-173.1177.3-173.8166.69109.9D829 L831D829-R841 PolarHBondContact N-O 2.75Å; D829-R841 PolarHBondContact O-N 2.75Å; L831-R841 HydrophobicContact CD1-CB 4.3Å
842R73Confident59.9Low54 Ų5495.9 Ų95.920%0.20451%0.509CS..EExtended strand (participates in β ladder)trans-68.3132.2166.7-166.6177.5-177.2-169.6-1.4109.5M820 F828M820-R842 PolarHBondContact O-NH1 3.17Å; M820-R842 PolarHBondContact O-NH2 2.92Å; F828-R842 HydrophobicContact CD1-CB 4.03Å; F828-R842 HydrophobicContact CD1-CG 4.27Å; F828-R842 HydrophobicContact CE1-CB 3.86Å; F828-R842 HydrophobicContact CE1-CG 3.92Å; F828-R842 HydrophobicContact CZ-CG 4.38Å
843K72.8Confident58.5Low78 Ų7896.3 Ų96.334%0.33952%0.517SS..PPolyproline II helixtrans-60.1139.3174.5-72.5175.4179.81630110.1N826 D827 D829 I845N826-K843 WeakPolarHBondContact O-CD 3.44Å; N826-K843 WeakPolarHBondContact O-CE 3.33Å; N826-K843 PolarHBondContact O-NZ 2.98Å; D827-K843 WeakPolarHBondContact O-CB 3.49Å; D827-K843 PolarHBondContact O-N 3.15Å; D829-K843 WeakPolarHBondContact OD1-CE 3.1Å; D829-K843 IonicContact OD1-NZ 3.15Å; D829-K843 PolarHBondContact OD1-NZ 3.42Å; D829-K843 WeakPolarHBondContact OD2-CE 3.34Å; D829-K843 IonicContact OD2-NZ 2.59Å; K843-I845 PolarHBondContact O-N 3.08Å
844P63.4Low57.7Low106 Ų106100.4 Ų100.469%0.68854%0.544SS*.PPolyproline II helixtrans-57.1124.2166-20.632.7000109E846P844-E846 PolarHBondContact O-N 3.43Å
845I61.9Low57Low87 Ų8795.9 Ų95.945%0.44653%0.526SS..PPolyproline II helixtrans-69.5120170.3-60.3175.6000106.6M820 K843 I847M820-I845 HydrophobicContact CB-CD1 4.01Å; K843-I845 PolarHBondContact O-N 3.08Å; I845-I847 VanDerWaalsContact C-N 3.27Å; I845-I847 PolarHBondContact O-N 3.05Å
846E52.5Low56.2Low185 Ų18596.1 Ų96.186%0.86452%0.523SS*.  trans-65.393.6165-69.3-166.6165.800108.2P844 P848P844-E846 PolarHBondContact O-N 3.43Å; E846-P848 WeakPolarHBondContact O-CD 3.16Å; E846-P848 VanDerWaalsContact O-N 3.13Å
847I55.4Low55.5Low129 Ų129101.1 Ų101.166%0.66255%0.546SS*.  trans-63.1112.7170.2-60.2171.5000105.8I845I845-I847 VanDerWaalsContact C-N 3.27Å; I845-I847 PolarHBondContact O-N 3.05Å
848P46.5Very low54.6Low99 Ų99105.3 Ų105.364%0.64356%0.561SS**  trans-59.9138177.426.3-33.9000107.9E846 K850E846-P848 WeakPolarHBondContact O-CD 3.16Å; E846-P848 VanDerWaalsContact O-N 3.13Å; P848-K850 PolarHBondContact O-N 2.97Å
849P43.4Very low53.6Low129 Ų129113.9 Ų113.984%0.83859%0.591SS**  trans-61.2101.5-173.823.8-33.5000109.6S851P849-S851 PolarHBondContact O-N 2.86Å; P849-S851 VanDerWaalsContact O-N 3.09Å
850K43.5Very low52.3Low150 Ų150115.1 Ų115.165%0.65260%0.604SS**  trans-53.2119.6174.9-76179.2176.8173.70106.9P848 T852P848-K850 PolarHBondContact O-N 2.97Å; K850-T852 PolarHBondContact O-N 3.5Å; K850-T852 VanDerWaalsContact O-N 3.11Å
851S40.7Very low51.1Low115 Ų115119.2 Ų119.280%0.80463%0.626SS**  trans-53.2121.1-178.6420000109.2P849 S853P849-S851 PolarHBondContact O-N 2.86Å; P849-S851 VanDerWaalsContact O-N 3.09Å; S851-S853 VanDerWaalsContact C-N 3.29Å; S851-S853 PolarHBondContact O-N 3.44Å
852T38Very low50.3Low135 Ų135116 Ų11683%0.82862%0.624SS**  trans-73.280.8-168.747.70000111.4K850K850-T852 PolarHBondContact O-N 3.5Å; K850-T852 VanDerWaalsContact O-N 3.11Å
853S41Very low50Low75 Ų75118.8 Ų118.852%0.52463%0.634SS.*  trans-69.3132.9150.763.10000108.3S851 D855S851-S853 VanDerWaalsContact C-N 3.29Å; S851-S853 PolarHBondContact O-N 3.44Å; S853-D855 PolarHBondContact O-N 3.1Å
854T47.2Very low49.8Very low127 Ų127119.8 Ų119.878%0.77964%0.643SS**THydrogen-bonded Turntrans-74.410.5-163.434.50000115.3
855D47.1Very low50Low99 Ų99122 Ų12253%0.52964%0.644SS.*THydrogen-bonded Turntrans-103.7-18.7-179-80.1-57.6000115.2S853 L857 K858S853-D855 PolarHBondContact O-N 3.1Å; D855-L857 VanDerWaalsContact C-N 3.28Å; D855-L857 PolarHBondContact O-N 3.32Å; D855-K858 PolarHBondContact O-N 3.32Å; D855-K858 IonicContact OD1-NZ 2.98Å; D855-K858 PolarHBondContact OD1-NZ 3.37Å
856Q46Very low50.8Low120 Ų120118.7 Ų118.756%0.56163%0.627SS**G310 helixtrans-72.8-19.1-178.4-62.9-159.19.800113.7K858 R859Q856-K858 PolarHBondContact O-N 3.32Å; Q856-K858 VanDerWaalsContact O-N 3.09Å; Q856-R859 PolarHBondContact O-N 2.98Å
857L45.2Very low52.3Low150 Ų150113.4 Ų113.479%0.78561%0.608SS**G310 helixtrans-68.71172.4-82.5165000114.4D855 S860D855-L857 VanDerWaalsContact C-N 3.28Å; D855-L857 PolarHBondContact O-N 3.32Å; L857-S860 PolarHBondContact O-OG 3.2Å
858K46.8Very low53.5Low141 Ų141112.5 Ų112.561%0.61361%0.61SS**G310 helixtrans-94.8-0.2173.1-63.8170.2-175.6161.60114D855 Q856D855-K858 PolarHBondContact O-N 3.32Å; D855-K858 IonicContact OD1-NZ 2.98Å; D855-K858 PolarHBondContact OD1-NZ 3.37Å; Q856-K858 PolarHBondContact O-N 3.32Å; Q856-K858 VanDerWaalsContact O-N 3.09Å
859R46.3Very low55.2Low217 Ų217111 Ų11182%0.81961%0.606SS**SBendtrans-90.5-21.2177.4-75.7-168.5174.7-163.6-0.7114.2Q856 N861Q856-R859 PolarHBondContact O-N 2.98Å; R859-N861 PolarHBondContact O-N 3.03Å
860S40.8Very low57Low75 Ų75109.3 Ų109.352%0.52459%0.587SS.*THydrogen-bonded Turntrans-65.1126.3166.344.90000110.1L857L857-S860 PolarHBondContact O-OG 3.2Å
861N49.4Very low59Low101 Ų101105.1 Ų105.154%0.5457%0.569SS.*THydrogen-bonded Turntrans54.663.1175.4-63.911.6000116.6R859 W863 D864R859-N861 PolarHBondContact O-N 3.03Å; N861-W863 PolarHBondContact O-N 2.65Å; N861-D864 HydrophobicContact CB-CB 4.23Å; N861-D864 VanDerWaalsContact CB-OD2 3.23Å; N861-D864 WeakPolarHBondContact CB-OD2 3.33Å; N861-D864 PolarHBondContact ND2-OD2 3.01Å; N861-D864 PolarHBondContact O-N 2.92Å
862S55.2Low61Low65 Ų65104.3 Ų104.346%0.45555%0.553SS.*THydrogen-bonded Turntrans-47-28.9155.7164.60000112.4D864 L866S862-D864 VanDerWaalsContact C-N 3.28Å; S862-D864 PolarHBondContact O-N 3.5Å; S862-L866 WeakPolarHBondContact O-CD1 3.41Å
863W67.2Low63.2Low111 Ų111102.4 Ų102.442%0.4253%0.534SS..THydrogen-bonded Turntrans-65.6-25.9-178.9-138.9170.9000113.7N861 L866 K871 R874 I875N861-W863 PolarHBondContact O-N 2.65Å; W863-L866 HydrophobicContact CE3-CB 4.43Å; W863-L866 HydrophobicContact CE3-CD1 3.51Å; W863-L866 HydrophobicContact CZ3-CB 4.45Å; W863-L866 HydrophobicContact CZ3-CD1 3.85Å; W863-K871 HydrophobicContact CE3-CD 3.93Å; W863-K871 HydrophobicContact CE3-CG 4.18Å; W863-K871 HydrophobicContact CH2-CB 3.85Å; W863-K871 HydrophobicContact CH2-CD 4.48Å; W863-K871 HydrophobicContact CH2-CG 4.32Å; W863-K871 HydrophobicContact CZ3-CB 3.62Å; W863-K871 HydrophobicContact CZ3-CD 3.77Å; W863-K871 HydrophobicContact CZ3-CG 3.59Å; W863-K871 VanDerWaalsContact O-CE 3.25Å; W863-K871 WeakPolarHBondContact O-CE 3.48Å; W863-K871 PolarHBondContact O-NZ 2.88Å; W863-R874 HydrophobicContact CH2-CB 4.01Å; W863-R874 HydrophobicContact CZ3-CB 4.41Å; W863-I875 HydrophobicContact CH2-CG1 4.31Å; W863-I875 HydrophobicContact CZ2-CG1 4.38Å
864D68.5Low65.3Low99 Ų99104 Ų10453%0.52953%0.529SS..THydrogen-bonded Turntrans-85.7-25.9-176-69.2-32.5000112.9N861 S862N861-D864 HydrophobicContact CB-CB 4.23Å; N861-D864 VanDerWaalsContact CB-OD2 3.23Å; N861-D864 WeakPolarHBondContact CB-OD2 3.33Å; N861-D864 PolarHBondContact ND2-OD2 3.01Å; N861-D864 PolarHBondContact O-N 2.92Å; S862-D864 VanDerWaalsContact C-N 3.28Å; S862-D864 PolarHBondContact O-N 3.5Å
865H68.3Low67.1Low152 Ų152102.1 Ų102.170%0.70451%0.513SS*.SBendtrans-85.9-8.6-178.8-63.9-51.3000115.6
866L77.1Confident68.9Low19 Ų19104 Ų10410%0.09951%0.513CS..SBendtrans-73.9139.1176.4-73.3136.6000111.4S862 W863 E870 K871S862-L866 WeakPolarHBondContact O-CD1 3.41Å; W863-L866 HydrophobicContact CE3-CB 4.43Å; W863-L866 HydrophobicContact CE3-CD1 3.51Å; W863-L866 HydrophobicContact CZ3-CB 4.45Å; W863-L866 HydrophobicContact CZ3-CD1 3.85Å; L866-E870 HydrophobicContact CB-CB 4.16Å; L866-E870 HydrophobicContact CD2-CB 3.59Å; L866-E870 HydrophobicContact CD2-CG 4.32Å; L866-E870 HydrophobicContact CG-CB 4.5Å; L866-K871 HydrophobicContact CB-CG 3.96Å; L866-K871 WeakPolarHBondContact O-CE 3.43Å
867T84.2Confident70.8Confident73 Ų73103.4 Ų103.445%0.44851%0.511SS..  trans-65.2155.7172.663.60000111.1A869 E870 K871T867-A869 PolarHBondContact O-N 3.26Å; T867-A869 VanDerWaalsContact O-N 3.12Å; T867-E870 VanDerWaalsContact CB-OE2 3.31Å; T867-E870 WeakPolarHBondContact CB-OE2 3.5Å; T867-E870 WeakPolarHBondContact CG2-OE2 3.07Å; T867-E870 PolarHBondContact N-OE2 3.32Å; T867-E870 PolarHBondContact O-N 3.31Å; T867-E870 WeakPolarHBondContact OG1-CG 3.35Å; T867-E870 PolarHBondContact OG1-N 3.12Å; T867-E870 PolarHBondContact OG1-OE2 2.97Å; T867-K871 VanDerWaalsContact O-CG 3.25Å; T867-K871 WeakPolarHBondContact O-CG 3.28Å; T867-K871 PolarHBondContact O-N 3Å
868P81.7Confident72.7Confident111 Ų111102.9 Ų102.972%0.72150%0.503SS*.Hα-helixtrans-52.7-36.3179.9-29.136.4000114.3K871 E872P868-K871 PolarHBondContact O-N 3.01Å; P868-E872 PolarHBondContact O-N 3.33Å
869A81.5Confident74.5Confident68 Ų68101.6 Ų101.656%0.56250%0.502SS*.Hα-helixtrans-66.6-43.6176.100000112.4T867 K871 E872 E873T867-A869 PolarHBondContact O-N 3.26Å; T867-A869 VanDerWaalsContact O-N 3.12Å; A869-K871 VanDerWaalsContact C-N 3.28Å; A869-K871 PolarHBondContact O-N 3.5Å; A869-E872 PolarHBondContact O-N 3.38Å; A869-E873 WeakPolarHBondContact O-CB 3.49Å; A869-E873 PolarHBondContact O-N 2.72Å
870E81.6Confident76.5Confident92 Ų9295.6 Ų95.643%0.4348%0.483SS..Hα-helixtrans-68.7-28.1173.9-63.3164.8108.400112.3L866 T867 R874L866-E870 HydrophobicContact CB-CB 4.16Å; L866-E870 HydrophobicContact CD2-CB 3.59Å; L866-E870 HydrophobicContact CD2-CG 4.32Å; L866-E870 HydrophobicContact CG-CB 4.5Å; T867-E870 VanDerWaalsContact CB-OE2 3.31Å; T867-E870 WeakPolarHBondContact CB-OE2 3.5Å; T867-E870 WeakPolarHBondContact CG2-OE2 3.07Å; T867-E870 PolarHBondContact N-OE2 3.32Å; T867-E870 PolarHBondContact O-N 3.31Å; T867-E870 WeakPolarHBondContact OG1-CG 3.35Å; T867-E870 PolarHBondContact OG1-N 3.12Å; T867-E870 PolarHBondContact OG1-OE2 2.97Å; E870-R874 WeakPolarHBondContact O-CB 3.34Å; E870-R874 WeakPolarHBondContact O-CG 3.35Å; E870-R874 PolarHBondContact O-N 3.44Å
871K84.6Confident78.6Confident62 Ų6298.2 Ų98.227%0.2749%0.487SS..Hα-helixtrans-66.7-46.3171-49.7-145.6-171.8-167.90111W863 L866 T867 P868 A869 R874 I875W863-K871 HydrophobicContact CE3-CD 3.93Å; W863-K871 HydrophobicContact CE3-CG 4.18Å; W863-K871 HydrophobicContact CH2-CB 3.85Å; W863-K871 HydrophobicContact CH2-CD 4.48Å; W863-K871 HydrophobicContact CH2-CG 4.32Å; W863-K871 HydrophobicContact CZ3-CB 3.62Å; W863-K871 HydrophobicContact CZ3-CD 3.77Å; W863-K871 HydrophobicContact CZ3-CG 3.59Å; W863-K871 VanDerWaalsContact O-CE 3.25Å; W863-K871 WeakPolarHBondContact O-CE 3.48Å; W863-K871 PolarHBondContact O-NZ 2.88Å; L866-K871 HydrophobicContact CB-CG 3.96Å; L866-K871 WeakPolarHBondContact O-CE 3.43Å; T867-K871 VanDerWaalsContact O-CG 3.25Å; T867-K871 WeakPolarHBondContact O-CG 3.28Å; T867-K871 PolarHBondContact O-N 3Å; P868-K871 PolarHBondContact O-N 3.01Å; A869-K871 VanDerWaalsContact C-N 3.28Å; A869-K871 PolarHBondContact O-N 3.5Å; K871-R874 PolarHBondContact O-N 3.48Å; K871-I875 WeakPolarHBondContact O-CB 3.47Å; K871-I875 WeakPolarHBondContact O-CD1 3.42Å; K871-I875 VanDerWaalsContact O-CG1 3.23Å; K871-I875 WeakPolarHBondContact O-CG1 3.29Å; K871-I875 PolarHBondContact O-N 2.78Å
872E84.2Confident80.2Confident99 Ų9997.9 Ų97.946%0.46349%0.488SS..Hα-helixtrans-60.7-44.9174.5-161.6-171.9151.500111.4P868 A869 R874 I875 R876P868-E872 PolarHBondContact O-N 3.33Å; A869-E872 PolarHBondContact O-N 3.38Å; E872-R874 PolarHBondContact O-N 2.77Å; E872-I875 CarbonylContact O-C 3.58Å; E872-I875 WeakPolarHBondContact O-CA 3.29Å; E872-I875 WeakPolarHBondContact O-CB 3.37Å; E872-I875 PolarHBondContact O-N 3.25Å; E872-I875 VanDerWaalsContact O-N 3.09Å; E872-R876 HydrophobicContact CG-CG 4.49Å; E872-R876 WeakPolarHBondContact O-CG 3.5Å; E872-R876 PolarHBondContact O-N 2.77Å; E872-R876 IonicContact OE1-CZ 2.73Å; E872-R876 IonicContact OE1-NE 3.06Å; E872-R876 PolarHBondContact OE1-NE 3.17Å; E872-R876 IonicContact OE1-NH2 3.09Å; E872-R876 PolarHBondContact OE1-NH2 2.89Å
873E83.7Confident81.8Confident94 Ų94102.3 Ų102.344%0.43950%0.495SS..Hα-helixtrans-67.7-38-178.4-165.758-156.200112.7A869 I875 R876 M877A869-E873 WeakPolarHBondContact O-CB 3.49Å; A869-E873 PolarHBondContact O-N 2.72Å; E873-I875 VanDerWaalsContact C-N 3.29Å; E873-I875 PolarHBondContact O-N 3.28Å; E873-R876 PolarHBondContact O-N 3.19Å; E873-R876 VanDerWaalsContact OE2-CD 3.3Å; E873-R876 WeakPolarHBondContact OE2-CD 3.16Å; E873-M877 HydrophobicContact CG-CE 4.47Å; E873-M877 WeakPolarHBondContact O-CB 3.39Å; E873-M877 WeakPolarHBondContact O-CG 3.5Å; E873-M877 PolarHBondContact O-N 2.72Å
874R83.7Confident82.7Confident110 Ų110101 Ų10142%0.41550%0.495SS..Hα-helixtrans-64.4-32.9170.2-77.7-172.5177.5-161.71.3112.8W863 E870 K871 E872 M877 K878W863-R874 HydrophobicContact CH2-CB 4.01Å; W863-R874 HydrophobicContact CZ3-CB 4.41Å; E870-R874 WeakPolarHBondContact O-CB 3.34Å; E870-R874 WeakPolarHBondContact O-CG 3.35Å; E870-R874 PolarHBondContact O-N 3.44Å; K871-R874 PolarHBondContact O-N 3.48Å; E872-R874 PolarHBondContact O-N 2.77Å; R874-M877 HydrophobicContact CG-CE 4.16Å; R874-K878 WeakPolarHBondContact O-CG 3.44Å; R874-K878 PolarHBondContact O-N 2.84Å; R874-K878 VanDerWaalsContact O-N 3.14Å
875I84.9Confident83.5Confident87 Ų8799.9 Ų99.945%0.44649%0.492SS..Hα-helixtrans-71.3-44.1174.5-70.3164.3000110.3W863 K871 E872 E873 K878 L879W863-I875 HydrophobicContact CH2-CG1 4.31Å; W863-I875 HydrophobicContact CZ2-CG1 4.38Å; K871-I875 WeakPolarHBondContact O-CB 3.47Å; K871-I875 WeakPolarHBondContact O-CD1 3.42Å; K871-I875 VanDerWaalsContact O-CG1 3.23Å; K871-I875 WeakPolarHBondContact O-CG1 3.29Å; K871-I875 PolarHBondContact O-N 2.78Å; E872-I875 CarbonylContact O-C 3.58Å; E872-I875 WeakPolarHBondContact O-CA 3.29Å; E872-I875 WeakPolarHBondContact O-CB 3.37Å; E872-I875 PolarHBondContact O-N 3.25Å; E872-I875 VanDerWaalsContact O-N 3.09Å; E873-I875 VanDerWaalsContact C-N 3.29Å; E873-I875 PolarHBondContact O-N 3.28Å; I875-K878 PolarHBondContact O-N 3.1Å; I875-L879 HydrophobicContact CG2-CD1 3.85Å; I875-L879 HydrophobicContact CG2-CG 4.4Å; I875-L879 WeakPolarHBondContact O-CB 3.37Å; I875-L879 WeakPolarHBondContact O-CG 3.45Å; I875-L879 PolarHBondContact O-N 3.37Å
876R86.7Confident84.3Confident138 Ų13895.5 Ų95.552%0.52147%0.472SS..Hα-helixtrans-58.4-48.7174.4-72.9170.5173.5-143.73.4111.8E872 E873 K878 L879 E880E872-R876 HydrophobicContact CG-CG 4.49Å; E872-R876 WeakPolarHBondContact O-CG 3.5Å; E872-R876 PolarHBondContact O-N 2.77Å; E872-R876 IonicContact OE1-CZ 2.73Å; E872-R876 IonicContact OE1-NE 3.06Å; E872-R876 PolarHBondContact OE1-NE 3.17Å; E872-R876 IonicContact OE1-NH2 3.09Å; E872-R876 PolarHBondContact OE1-NH2 2.89Å; E873-R876 PolarHBondContact O-N 3.19Å; E873-R876 VanDerWaalsContact OE2-CD 3.3Å; E873-R876 WeakPolarHBondContact OE2-CD 3.16Å; R876-K878 PolarHBondContact O-N 3.26Å; R876-L879 PolarHBondContact O-N 2.79Å; R876-E880 PolarHBondContact O-N 3.46Å
877M84.6Confident84.9Confident108 Ų108101.1 Ų101.153%0.53250%0.496SS..Hα-helixtrans-59.6-43.7176-75.3-169.8-71.600112.3E873 R874 E880 Q881E873-M877 HydrophobicContact CG-CE 4.47Å; E873-M877 WeakPolarHBondContact O-CB 3.39Å; E873-M877 WeakPolarHBondContact O-CG 3.5Å; E873-M877 PolarHBondContact O-N 2.72Å; R874-M877 HydrophobicContact CG-CE 4.16Å; M877-E880 PolarHBondContact O-N 3.43Å; M877-Q881 WeakPolarHBondContact O-CB 3.43Å; M877-Q881 PolarHBondContact O-N 2.88Å
878K85Confident85Confident139 Ų139102.8 Ų102.860%0.60450%0.499SS*.Hα-helixtrans-64.4-39.1175.3-78.9-172.5173-1690112.6R874 I875 R876 Q881 V882R874-K878 WeakPolarHBondContact O-CG 3.44Å; R874-K878 PolarHBondContact O-N 2.84Å; R874-K878 VanDerWaalsContact O-N 3.14Å; I875-K878 PolarHBondContact O-N 3.1Å; R876-K878 PolarHBondContact O-N 3.26Å; K878-Q881 PolarHBondContact O-N 2.94Å; K878-V882 WeakPolarHBondContact O-CG2 3.41Å; K878-V882 PolarHBondContact O-N 3.13Å
879L85.8Confident85.3Confident113 Ų113104.9 Ų104.959%0.59249%0.492SS*.Hα-helixtrans-66.9-42.7177.1-74.5169.6000112.2I875 R876 V882 R883I875-L879 HydrophobicContact CG2-CD1 3.85Å; I875-L879 HydrophobicContact CG2-CG 4.4Å; I875-L879 WeakPolarHBondContact O-CB 3.37Å; I875-L879 WeakPolarHBondContact O-CG 3.45Å; I875-L879 PolarHBondContact O-N 3.37Å; R876-L879 PolarHBondContact O-N 2.79Å; L879-V882 PolarHBondContact O-N 3.47Å; L879-R883 VanDerWaalsContact O-CB 3.28Å; L879-R883 WeakPolarHBondContact O-CB 3.48Å; L879-R883 PolarHBondContact O-N 3.32Å
880E87.1Confident85.6Confident91 Ų91107.2 Ų107.243%0.42549%0.49SS..Hα-helixtrans-69-36175.4-165.562.7-150.100111.2R876 M877 R883 I884R876-E880 PolarHBondContact O-N 3.46Å; M877-E880 PolarHBondContact O-N 3.43Å; E880-R883 CarbonylContact O-C 3.51Å; E880-R883 WeakPolarHBondContact O-CB 3.48Å; E880-R883 PolarHBondContact O-N 2.94Å; E880-R883 WeakPolarHBondContact OE1-CD 3.4Å; E880-R883 IonicContact OE1-CZ 2.74Å; E880-R883 IonicContact OE1-NE 2.9Å; E880-R883 PolarHBondContact OE1-NE 2.92Å; E880-R883 WeakPolarHBondContact OE2-CD 3.36Å; E880-R883 IonicContact OE2-NE 2.74Å; E880-R883 PolarHBondContact OE2-NE 3.3Å; E880-R883 VanDerWaalsContact OE2-NE 3.1Å; E880-I884 HydrophobicContact CG-CD1 4.14Å; E880-I884 HydrophobicContact CG-CG1 4.49Å; E880-I884 VanDerWaalsContact O-CG1 3.27Å; E880-I884 WeakPolarHBondContact O-CG1 3.46Å; E880-I884 PolarHBondContact O-N 3.08Å
881Q84.5Confident86.1Confident131 Ų131109.1 Ų109.161%0.61250%0.496SS*.Hα-helixtrans-60.6-46.2173.3-169.5177.716.600111.8M877 K878 R883 I884 T885M877-Q881 WeakPolarHBondContact O-CB 3.43Å; M877-Q881 PolarHBondContact O-N 2.88Å; K878-Q881 PolarHBondContact O-N 2.94Å; Q881-R883 VanDerWaalsContact C-N 3.31Å; Q881-R883 PolarHBondContact O-N 3.39Å; Q881-I884 PolarHBondContact O-N 3.3Å; Q881-T885 PolarHBondContact O-N 3Å; Q881-T885 PolarHBondContact O-OG1 3.13Å
882V84Confident86.1Confident93 Ų93109.1 Ų109.156%0.56451%0.508SS*.Hα-helixtrans-62.6-37.9174.3168.30000111.7K878 L879 T885 E886K878-V882 WeakPolarHBondContact O-CG2 3.41Å; K878-V882 PolarHBondContact O-N 3.13Å; L879-V882 PolarHBondContact O-N 3.47Å; V882-T885 PolarHBondContact O-OG1 3.15Å; V882-E886 VanDerWaalsContact O-CB 3.25Å; V882-E886 WeakPolarHBondContact O-CB 3.3Å; V882-E886 PolarHBondContact O-N 2.84Å
883R89Confident86.2Confident159 Ų159108 Ų10860%0.650%0.504SS*.Hα-helixtrans-68.5-33.5176.4169.6175.9147.1100.5-3.8112.9L879 E880 Q881 K887L879-R883 VanDerWaalsContact O-CB 3.28Å; L879-R883 WeakPolarHBondContact O-CB 3.48Å; L879-R883 PolarHBondContact O-N 3.32Å; E880-R883 CarbonylContact O-C 3.51Å; E880-R883 WeakPolarHBondContact O-CB 3.48Å; E880-R883 PolarHBondContact O-N 2.94Å; E880-R883 WeakPolarHBondContact OE1-CD 3.4Å; E880-R883 IonicContact OE1-CZ 2.74Å; E880-R883 IonicContact OE1-NE 2.9Å; E880-R883 PolarHBondContact OE1-NE 2.92Å; E880-R883 WeakPolarHBondContact OE2-CD 3.36Å; E880-R883 IonicContact OE2-NE 2.74Å; E880-R883 PolarHBondContact OE2-NE 3.3Å; E880-R883 VanDerWaalsContact OE2-NE 3.1Å; Q881-R883 VanDerWaalsContact C-N 3.31Å; Q881-R883 PolarHBondContact O-N 3.39Å; R883-K887 VanDerWaalsContact O-CB 3.22Å; R883-K887 WeakPolarHBondContact O-CB 3.49Å; R883-K887 PolarHBondContact O-N 2.85Å
884I86.8Confident86.4Confident82 Ų82109.2 Ų109.242%0.42151%0.513SS..Hα-helixtrans-69.4-52.4173.3-70.6164000109.9E880 Q881 E886 K887 E888E880-I884 HydrophobicContact CG-CD1 4.14Å; E880-I884 HydrophobicContact CG-CG1 4.49Å; E880-I884 VanDerWaalsContact O-CG1 3.27Å; E880-I884 WeakPolarHBondContact O-CG1 3.46Å; E880-I884 PolarHBondContact O-N 3.08Å; Q881-I884 PolarHBondContact O-N 3.3Å; I884-E886 PolarHBondContact O-N 2.88Å; I884-K887 WeakPolarHBondContact O-CB 3.33Å; I884-K887 PolarHBondContact O-N 2.9Å; I884-K887 VanDerWaalsContact O-N 3.08Å; I884-E888 PolarHBondContact O-N 3.13Å
885T85Confident86.6Confident77 Ų77106 Ų10647%0.47251%0.51SS..Hα-helixtrans-64.7-38.6-177.7560000112.5Q881 V882 K887 E888 R889Q881-T885 PolarHBondContact O-N 3Å; Q881-T885 PolarHBondContact O-OG1 3.13Å; V882-T885 PolarHBondContact O-OG1 3.15Å; T885-K887 VanDerWaalsContact C-N 3.32Å; T885-K887 PolarHBondContact O-N 3.02Å; T885-E888 PolarHBondContact O-N 2.87Å; T885-R889 WeakPolarHBondContact O-CB 3.44Å; T885-R889 PolarHBondContact O-N 3.33Å
886E84.9Confident86.7Confident60 Ų60104.2 Ų104.228%0.2851%0.508SS..Hα-helixtrans-68.6-29.2174.4178.557.1-165.200112.5V882 I884 R889 K890V882-E886 VanDerWaalsContact O-CB 3.25Å; V882-E886 WeakPolarHBondContact O-CB 3.3Å; V882-E886 PolarHBondContact O-N 2.84Å; I884-E886 PolarHBondContact O-N 2.88Å; E886-R889 VanDerWaalsContact OE2-CD 3.32Å; E886-R889 WeakPolarHBondContact OE2-CD 3.47Å; E886-R889 IonicContact OE2-CZ 2.75Å; E886-R889 IonicContact OE2-NE 3.14Å; E886-R889 PolarHBondContact OE2-NE 2.95Å; E886-K890 HydrophobicContact CG-CD 4.48Å; E886-K890 WeakPolarHBondContact O-CB 3.37Å; E886-K890 WeakPolarHBondContact O-CG 3.47Å; E886-K890 PolarHBondContact O-N 3.47Å; E886-K890 WeakPolarHBondContact OE1-CE 3.43Å; E886-K890 IonicContact OE1-NZ 2.67Å; E886-K890 PolarHBondContact OE1-NZ 3.02Å
887K89.9Confident86.7Confident136 Ų136102.6 Ų102.659%0.59150%0.502SS*.Hα-helixtrans-70.4-34.2172-175.6-179.1-176.7-177.90111.6R883 I884 T885 K891R883-K887 VanDerWaalsContact O-CB 3.22Å; R883-K887 WeakPolarHBondContact O-CB 3.49Å; R883-K887 PolarHBondContact O-N 2.85Å; I884-K887 WeakPolarHBondContact O-CB 3.33Å; I884-K887 PolarHBondContact O-N 2.9Å; I884-K887 VanDerWaalsContact O-N 3.08Å; T885-K887 VanDerWaalsContact C-N 3.32Å; T885-K887 PolarHBondContact O-N 3.02Å; K887-K891 WeakPolarHBondContact O-CG 3.27Å; K887-K891 PolarHBondContact O-N 3.43Å; K887-K891 VanDerWaalsContact O-N 3.09Å
888E85.4Confident86.9Confident109 Ų109105 Ų10551%0.50951%0.505SS..Hα-helixtrans-75.1-43.2174.9-68.9-178.2148.700112I884 T885 K890 K891 A892I884-E888 PolarHBondContact O-N 3.13Å; T885-E888 PolarHBondContact O-N 2.87Å; E888-K890 VanDerWaalsContact C-N 3.31Å; E888-K890 PolarHBondContact O-N 3.47Å; E888-K891 WeakPolarHBondContact O-CA 3.4Å; E888-K891 WeakPolarHBondContact O-CB 3.32Å; E888-K891 PolarHBondContact O-N 2.96Å; E888-A892 PolarHBondContact O-N 2.83Å
889R88Confident87Confident154 Ų154107.4 Ų107.458%0.58151%0.511SS*.Hα-helixtrans-53.6-46.1169.5-176.4171.5120.1100.61.7111.8T885 E886 A892 I893T885-R889 WeakPolarHBondContact O-CB 3.44Å; T885-R889 PolarHBondContact O-N 3.33Å; E886-R889 VanDerWaalsContact OE2-CD 3.32Å; E886-R889 WeakPolarHBondContact OE2-CD 3.47Å; E886-R889 IonicContact OE2-CZ 2.75Å; E886-R889 IonicContact OE2-NE 3.14Å; E886-R889 PolarHBondContact OE2-NE 2.95Å; R889-A892 PolarHBondContact O-N 3.11Å; R889-I893 HydrophobicContact CG-CD1 4.12Å; R889-I893 WeakPolarHBondContact O-CG1 3.48Å; R889-I893 PolarHBondContact O-N 3.17Å
890K89.2Confident87.1Confident118 Ų118107.7 Ų107.751%0.51351%0.509SS..Hα-helixtrans-64.2-38.6174.3-79.2174.5162.1113.60113.3E886 E888 L894E886-K890 HydrophobicContact CG-CD 4.48Å; E886-K890 WeakPolarHBondContact O-CB 3.37Å; E886-K890 WeakPolarHBondContact O-CG 3.47Å; E886-K890 PolarHBondContact O-N 3.47Å; E886-K890 WeakPolarHBondContact OE1-CE 3.43Å; E886-K890 IonicContact OE1-NZ 2.67Å; E886-K890 PolarHBondContact OE1-NZ 3.02Å; E888-K890 VanDerWaalsContact C-N 3.31Å; E888-K890 PolarHBondContact O-N 3.47Å; K890-L894 WeakPolarHBondContact O-CB 3.48Å; K890-L894 WeakPolarHBondContact O-CG 3.47Å; K890-L894 PolarHBondContact O-N 3.3Å; K890-L894 VanDerWaalsContact O-N 3.11Å
891K90.1Very high87Confident132 Ų132112.1 Ų112.157%0.57452%0.521SS*.Hα-helixtrans-61.8-44.6171.1-76.5174.2176.3178.80111.7K887 E888 L894 A895K887-K891 WeakPolarHBondContact O-CG 3.27Å; K887-K891 PolarHBondContact O-N 3.43Å; K887-K891 VanDerWaalsContact O-N 3.09Å; E888-K891 WeakPolarHBondContact O-CA 3.4Å; E888-K891 WeakPolarHBondContact O-CB 3.32Å; E888-K891 PolarHBondContact O-N 2.96Å; K891-L894 PolarHBondContact O-N 3.41Å; K891-A895 WeakPolarHBondContact O-CB 3.24Å; K891-A895 PolarHBondContact O-N 3.47Å
892A84.9Confident86.9Confident61 Ų61110.1 Ų110.150%0.50451%0.512SS..Hα-helixtrans-62.6-46.3-179.200000111.6E888 R889 L894 A895 A896E888-A892 PolarHBondContact O-N 2.83Å; R889-A892 PolarHBondContact O-N 3.11Å; A892-L894 VanDerWaalsContact C-N 3.34Å; A892-L894 PolarHBondContact O-N 3.11Å; A892-A895 PolarHBondContact O-N 2.69Å; A892-A896 WeakPolarHBondContact O-CB 3.21Å; A892-A896 PolarHBondContact O-N 2.95Å
893I86Confident86.7Confident77 Ų77109.8 Ų109.840%0.39552%0.519SS..Hα-helixtrans-60.7-41.5175.7-66.9164.5000111.3R889 A896 R897R889-I893 HydrophobicContact CG-CD1 4.12Å; R889-I893 WeakPolarHBondContact O-CG1 3.48Å; R889-I893 PolarHBondContact O-N 3.17Å; I893-A896 PolarHBondContact O-N 3.35Å; I893-R897 WeakPolarHBondContact O-CB 3.24Å; I893-R897 WeakPolarHBondContact O-CG 3.37Å; I893-R897 PolarHBondContact O-N 3Å
894L88.1Confident86.2Confident118 Ų118109.2 Ų109.262%0.61853%0.528SS*.Hα-helixtrans-66.7-37.8175.4-73.8170.4000112.5K890 K891 A892 R898K890-L894 WeakPolarHBondContact O-CB 3.48Å; K890-L894 WeakPolarHBondContact O-CG 3.47Å; K890-L894 PolarHBondContact O-N 3.3Å; K890-L894 VanDerWaalsContact O-N 3.11Å; K891-L894 PolarHBondContact O-N 3.41Å; A892-L894 VanDerWaalsContact C-N 3.34Å; A892-L894 PolarHBondContact O-N 3.11Å; L894-R898 VanDerWaalsContact O-CB 3.32Å; L894-R898 WeakPolarHBondContact O-CB 3.39Å; L894-R898 PolarHBondContact O-N 3.23Å
895A88.5Confident85.8Confident44 Ų44112 Ų11236%0.36454%0.537SS..Hα-helixtrans-67.1-41.6175.200000112K891 A892 R898 R899K891-A895 WeakPolarHBondContact O-CB 3.24Å; K891-A895 PolarHBondContact O-N 3.47Å; A892-A895 PolarHBondContact O-N 2.69Å; A895-R898 WeakPolarHBondContact O-CB 3.32Å; A895-R898 PolarHBondContact O-N 2.88Å; A895-R899 WeakPolarHBondContact O-CG 3.37Å; A895-R899 PolarHBondContact O-N 2.84Å
896A86.3Confident84.6Confident48 Ų48113.9 Ų113.940%0.39755%0.55SS..Hα-helixtrans-62.2-49.9174.400000111.6A892 I893 R898 R899 Q900A892-A896 WeakPolarHBondContact O-CB 3.21Å; A892-A896 PolarHBondContact O-N 2.95Å; I893-A896 PolarHBondContact O-N 3.35Å; A896-R898 PolarHBondContact O-N 3.45Å; A896-R899 PolarHBondContact O-N 3.23Å; A896-R899 VanDerWaalsContact O-N 3.15Å; A896-Q900 WeakPolarHBondContact O-CG 3.41Å; A896-Q900 PolarHBondContact O-N 3.02Å
897R87.8Confident83.4Confident104 Ų104120.8 Ų120.839%0.39258%0.579SS.*Hα-helixtrans-59.6-33.1174.2-75178.9171.8-160.8-7.5112.5N481 I893 R901N481-R897 VanDerWaalsContact CG-NH2 3.27Å; N481-R897 PolarHBondContact OD1-NH2 3.28Å; I893-R897 WeakPolarHBondContact O-CB 3.24Å; I893-R897 WeakPolarHBondContact O-CG 3.37Å; I893-R897 PolarHBondContact O-N 3Å; R897-R901 VanDerWaalsContact O-CG 3.3Å; R897-R901 WeakPolarHBondContact O-CG 3.48Å; R897-R901 PolarHBondContact O-N 3.28Å; R897-R901 VanDerWaalsContact O-N 3.12Å
898R88.6Confident81.9Confident159 Ų159122.1 Ų122.160%0.659%0.585SS**Hα-helixtrans-67.5-48.7173.2180177.1172.3170.41.2111.5L894 A895 A896 Q900 R901 E902L894-R898 VanDerWaalsContact O-CB 3.32Å; L894-R898 WeakPolarHBondContact O-CB 3.39Å; L894-R898 PolarHBondContact O-N 3.23Å; A895-R898 WeakPolarHBondContact O-CB 3.32Å; A895-R898 PolarHBondContact O-N 2.88Å; A896-R898 PolarHBondContact O-N 3.45Å; R898-Q900 VanDerWaalsContact C-N 3.33Å; R898-Q900 PolarHBondContact O-N 2.96Å; R898-R901 PolarHBondContact O-N 3.44Å; R898-R901 VanDerWaalsContact O-N 3.14Å; R898-E902 HydrophobicContact CG-CG 4.42Å; R898-E902 IonicContact CZ-OE1 2.67Å; R898-E902 IonicContact NE-OE1 2.99Å; R898-E902 PolarHBondContact NE-OE1 3.35Å; R898-E902 IonicContact NE-OE2 2.78Å; R898-E902 PolarHBondContact NE-OE2 2.91Å; R898-E902 IonicContact NH2-OE1 3.24Å; R898-E902 PolarHBondContact NH2-OE1 3.33Å; R898-E902 WeakPolarHBondContact O-CG 3.49Å; R898-E902 PolarHBondContact O-N 3.12Å
899R86.7Confident80Confident190 Ų190126 Ų12672%0.71760%0.603SS**Hα-helixtrans-57.1-44.8176.3-71.4174.4-178.1176.10.2111.7A895 A896 R901 E902 A903A895-R899 WeakPolarHBondContact O-CG 3.37Å; A895-R899 PolarHBondContact O-N 2.84Å; A896-R899 PolarHBondContact O-N 3.23Å; A896-R899 VanDerWaalsContact O-N 3.15Å; R899-R901 PolarHBondContact O-N 3.39Å; R899-E902 PolarHBondContact O-N 3.35Å; R899-A903 WeakPolarHBondContact O-CB 3.28Å; R899-A903 PolarHBondContact O-N 2.88Å
900Q87.4Confident78.2Confident118 Ų118124.8 Ų124.855%0.55161%0.608SS**Hα-helixtrans-58-46.4174.2-72.2172.2-27.900112.1A896 R898 E902 A903 L904A896-Q900 WeakPolarHBondContact O-CG 3.41Å; A896-Q900 PolarHBondContact O-N 3.02Å; R898-Q900 VanDerWaalsContact C-N 3.33Å; R898-Q900 PolarHBondContact O-N 2.96Å; Q900-E902 VanDerWaalsContact C-N 3.31Å; Q900-E902 PolarHBondContact O-N 2.67Å; Q900-A903 PolarHBondContact O-N 2.99Å; Q900-L904 WeakPolarHBondContact O-CB 3.26Å; Q900-L904 WeakPolarHBondContact O-CG 3.42Å; Q900-L904 PolarHBondContact O-N 3.31Å
901R86.2Confident75.6Confident184 Ų184124.7 Ų124.769%0.69462%0.622SS**Hα-helixtrans-66.9-27.9176.2-73.3173.5178.2-173.2-1.4113.9R897 R898 R899 K905R897-R901 VanDerWaalsContact O-CG 3.3Å; R897-R901 WeakPolarHBondContact O-CG 3.48Å; R897-R901 PolarHBondContact O-N 3.28Å; R897-R901 VanDerWaalsContact O-N 3.12Å; R898-R901 PolarHBondContact O-N 3.44Å; R898-R901 VanDerWaalsContact O-N 3.14Å; R899-R901 PolarHBondContact O-N 3.39Å; R901-K905 WeakPolarHBondContact O-CG 3.38Å; R901-K905 PolarHBondContact O-N 2.82Å
902E82.5Confident73.5Confident89 Ų89123 Ų12342%0.41663%0.627SS.*Hα-helixtrans-80.6-32.5176.6-74.1171.4159.500111.6R898 R899 Q900R898-E902 HydrophobicContact CG-CG 4.42Å; R898-E902 IonicContact CZ-OE1 2.67Å; R898-E902 IonicContact NE-OE1 2.99Å; R898-E902 PolarHBondContact NE-OE1 3.35Å; R898-E902 IonicContact NE-OE2 2.78Å; R898-E902 PolarHBondContact NE-OE2 2.91Å; R898-E902 IonicContact NH2-OE1 3.24Å; R898-E902 PolarHBondContact NH2-OE1 3.33Å; R898-E902 WeakPolarHBondContact O-CG 3.49Å; R898-E902 PolarHBondContact O-N 3.12Å; R899-E902 PolarHBondContact O-N 3.35Å; Q900-E902 VanDerWaalsContact C-N 3.31Å; Q900-E902 PolarHBondContact O-N 2.67Å
903A80.3Confident71.2Confident87 Ų87127.6 Ų127.672%0.71965%0.648SS**Hα-helixtrans-69.8-34.5170.200000113.2R899 Q900 K905R899-A903 WeakPolarHBondContact O-CB 3.28Å; R899-A903 PolarHBondContact O-N 2.88Å; Q900-A903 PolarHBondContact O-N 2.99Å; A903-K905 VanDerWaalsContact C-N 3.32Å; A903-K905 PolarHBondContact O-N 3.37Å
904L76.8Confident68.9Low147 Ų147129.1 Ų129.177%0.7767%0.666SS**THydrogen-bonded Turntrans-80.3-4.3177.6-71.8170000114.4Q900Q900-L904 WeakPolarHBondContact O-CB 3.26Å; Q900-L904 WeakPolarHBondContact O-CG 3.42Å; Q900-L904 PolarHBondContact O-N 3.31Å
905K79.3Confident66.6Low140 Ų140127.3 Ų127.361%0.60968%0.676SS**SBendtrans-79.3126.5173.3-84.1172.9-178.2-178.30109.8R901 A903 K907R901-K905 WeakPolarHBondContact O-CG 3.38Å; R901-K905 PolarHBondContact O-N 2.82Å; A903-K905 VanDerWaalsContact C-N 3.32Å; A903-K905 PolarHBondContact O-N 3.37Å; K905-K907 PolarHBondContact O-N 3.05Å
906P60.7Low64Low116 Ų116133.5 Ų133.575%0.75370%0.702SS**  trans-60.8133.517126.3-33.4000109.5K908P906-K908 PolarHBondContact O-N 2.95Å
907K58.6Low61.8Low206 Ų206137.4 Ų137.490%0.89672%0.72SS**  trans-65100.3175-73-176.6178.2179.20109.2K905 Q909K905-K907 PolarHBondContact O-N 3.05Å; K907-Q909 PolarHBondContact O-N 3.5Å
908K59.3Low59.6Low164 Ų164141.5 Ų141.571%0.71374%0.741SS**  trans-63125.8165-73-165.8170.6-1640109.2P906 D910P906-K908 PolarHBondContact O-N 2.95Å; K908-D910 PolarHBondContact O-N 3.27Å
909Q45.2Very low57.2Low190 Ų190142.1 Ų142.189%0.88876%0.756SS**  trans-79.372.9166.7-69.4172-74.600108.4K907 S911K907-Q909 PolarHBondContact O-N 3.5Å; Q909-S911 VanDerWaalsContact C-N 3.32Å; Q909-S911 PolarHBondContact O-N 2.64Å
910D48.7Very low54.8Low128 Ų128139.7 Ų139.768%0.68476%0.762SS**  trans-75.986.5177.5-70.5-29.9000109.5K908 S912K908-D910 PolarHBondContact O-N 3.27Å; D910-S912 PolarHBondContact O-N 3.21Å
911S36.7Very low52.5Low117 Ų117142.7 Ų142.782%0.81878%0.776SS**  trans-76.798.9176.756.90000111.3Q909Q909-S911 VanDerWaalsContact C-N 3.32Å; Q909-S911 PolarHBondContact O-N 2.64Å
912S44.2Very low50.5Low96 Ų96140.5 Ų140.567%0.67178%0.783SS**  trans-138.194.1173.561.40000112.4D910 S914D910-S912 PolarHBondContact O-N 3.21Å; S912-S914 PolarHBondContact O-N 3.4Å
913V37.5Very low48.4Very low157 Ų157142.6 Ų142.695%0.95281%0.806SS**  trans-81.990.7175.3-179.40000109.9
914S38.5Very low46.4Very low109 Ų109144 Ų14476%0.76281%0.811SS**  trans-159.3112.8168.160.30000111.5S912S912-S914 PolarHBondContact O-N 3.4Å
915G38.2Very low44.9Very low80 Ų80148.9 Ų148.983%0.82583%0.834SS**  trans161.313176.800000118.3V917G915-V917 PolarHBondContact O-N 3.44Å
916L34.6Very low43.2Very low175 Ų175149.3 Ų149.392%0.91685%0.846SS**  trans-102.364.4-172.3-144.1174.3000112.4
917V40.1Very low42.3Very low129 Ų129151.1 Ų151.178%0.78285%0.851SS**  trans-143.5140.7171.4-167.80000109.5G915G915-V917 PolarHBondContact O-N 3.44Å
918K41.1Very low41.3Very low190 Ų190148 Ų14883%0.82685%0.848SS**  trans74.594.3-177.6-50.7-177.6-177.3-179.80115.7
919L38.4Very low40.3Very low173 Ų173147.1 Ų147.191%0.90686%0.856SS**  -173.178.3118.3-99.5166.9000109.3
920T35.6Very low40Very low139 Ų139144.4 Ų144.485%0.85385%0.854SS**  trans-117.880.7174.549.30000109.2
921E40.1Very low39.4Very low181 Ų181145.5 Ų145.585%0.84687%0.865SS**  trans-160.1157.8170.6-129.3165.8-160.500110.7
922V43.3Very low39.6Very low138 Ų138147.5 Ų147.584%0.83687%0.869SS**  trans6377.5177.5-162.50000115.9
923C39.4Very low39.2Very low133 Ų133151.5 Ų151.590%0.89988%0.884SS**  trans-157.5100.2130.2-140.80000110
924S37.6Very low39.4Very low117 Ų117151 Ų15182%0.81888%0.878SS**  trans-124102.6177.7-60.40000110.3
925I45.8Very low39.5Very low248 Ų248154.8 Ų154.8100%1.27289%0.889SS**  trans-166.40152.8-99156.4000106.3

Retrieved 925 of 925 residues in 1510.6 ms (Link to these results)

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