A0A077ZH17_TRITR Loading...

Strain CBS138 chromosome L complete sequence

AlphaFold DB , UniProt , Accession A0A077ZH17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M80.8Confident86.2Confident94 Ų9477.2 Ų77.246%0.46341%0.405SS..  0-78.10-63.7-167.383.700110.9R3 D4 T6 A11 F14M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.27Å; M1-D4 WeakPolarHBondContact CA-OD2 3.43Å; M1-D4 PolarHBondContact N-OD2 3.31Å; M1-D4 CarbonylContact O-C 3.59Å; M1-D4 WeakPolarHBondContact O-CA 3.49Å; M1-D4 WeakPolarHBondContact O-CB 3.24Å; M1-D4 PolarHBondContact O-N 3.13Å; M1-T6 WeakPolarHBondContact CA-OG1 3.43Å; M1-T6 WeakPolarHBondContact CB-OG1 3.46Å; M1-T6 PolarHBondContact O-N 2.95Å; M1-T6 PolarHBondContact O-OG1 3.3Å; M1-A11 HydrophobicContact CB-CB 4.31Å; M1-F14 HydrophobicContact CE-CB 4.04Å; M1-F14 HydrophobicContact CE-CD1 3.64Å; M1-F14 HydrophobicContact CE-CE1 4.2Å; M1-F14 HydrophobicContact CE-CG 3.8Å; M1-F14 HydrophobicContact SD-CD1 3.51Å; M1-F14 VanDerWaalsContact SD-CD1 3.51Å; M1-F14 HydrophobicContact SD-CE1 3.94Å; M1-F14 HydrophobicContact SD-CG 4.26Å
2I83.4Confident86.6Confident44 Ų4471.8 Ų71.823%0.22638%0.377CS..G310 helixtrans-58.4-43.4-173.8-60.8171.1000112.1D4 G5 T6 V8 A11 A74 M77I2-D4 PolarHBondContact O-N 2.82Å; I2-G5 PolarHBondContact O-N 2.77Å; I2-G5 VanDerWaalsContact O-N 3.1Å; I2-T6 PolarHBondContact N-OG1 3.41Å; I2-V8 HydrophobicContact CD1-CB 4.4Å; I2-V8 HydrophobicContact CD1-CG1 4.02Å; I2-V8 HydrophobicContact CD1-CG2 4.12Å; I2-V8 HydrophobicContact CG1-CG2 4.35Å; I2-V8 HydrophobicContact CG2-CG2 3.95Å; I2-A11 HydrophobicContact CD1-CB 4.35Å; I2-A11 HydrophobicContact CG1-CB 3.79Å; I2-A74 HydrophobicContact CG2-CB 3.8Å; I2-M77 HydrophobicContact CD1-CE 4.41Å; I2-M77 HydrophobicContact CD1-SD 3.74Å
3R80.6Confident87Confident174 Ų17470.3 Ų70.366%0.65737%0.367SS*.G310 helixtrans-61.3-26.6174.2-168.2-17767.1-177.41113.7M1 G5M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.27Å; R3-G5 PolarHBondContact O-N 2.85Å
4D84.7Confident87.4Confident118 Ų11871.7 Ų71.763%0.63137%0.369SS*.G310 helixtrans-86.110.4-179.7-43.1-47.3000111.6M1 I2M1-D4 WeakPolarHBondContact CA-OD2 3.43Å; M1-D4 PolarHBondContact N-OD2 3.31Å; M1-D4 CarbonylContact O-C 3.59Å; M1-D4 WeakPolarHBondContact O-CA 3.49Å; M1-D4 WeakPolarHBondContact O-CB 3.24Å; M1-D4 PolarHBondContact O-N 3.13Å; I2-D4 PolarHBondContact O-N 2.82Å
5G83.7Confident87.6Confident64 Ų6470.7 Ų70.766%0.6636%0.363SS*.THydrogen-bonded Turntrans90.22.8176.900000115I2 R3I2-G5 PolarHBondContact O-N 2.77Å; I2-G5 VanDerWaalsContact O-N 3.1Å; R3-G5 PolarHBondContact O-N 2.85Å
6T87.9Confident87.9Confident44 Ų4467.1 Ų67.127%0.2735%0.346SS..  trans-69.8129.917664.40000110.2M1 I2 V8M1-T6 WeakPolarHBondContact CA-OG1 3.43Å; M1-T6 WeakPolarHBondContact CB-OG1 3.46Å; M1-T6 PolarHBondContact O-N 2.95Å; M1-T6 PolarHBondContact O-OG1 3.3Å; I2-T6 PolarHBondContact N-OG1 3.41Å; T6-V8 PolarHBondContact O-N 3.06Å
7P87.3Confident88.1Confident88 Ų8866.7 Ų66.757%0.57135%0.345SS*.  trans-53.8137.8175.2-26.134.2000111.6M9 R10 A11P7-M9 PolarHBondContact O-N 3.02Å; P7-R10 HydrophobicContact CB-CB 4.33Å; P7-R10 WeakPolarHBondContact O-CA 3.44Å; P7-R10 WeakPolarHBondContact O-CB 3.47Å; P7-R10 PolarHBondContact O-N 2.91Å; P7-A11 PolarHBondContact O-N 3.18Å
8V87Confident88.3Confident28 Ų2866.9 Ų66.917%0.1735%0.349CS..Hα-helixtrans-54.6-41.9-176.1-178.10000111.8I2 T6 R10 A11 L12 I42 L48I2-V8 HydrophobicContact CD1-CB 4.4Å; I2-V8 HydrophobicContact CD1-CG1 4.02Å; I2-V8 HydrophobicContact CD1-CG2 4.12Å; I2-V8 HydrophobicContact CG1-CG2 4.35Å; I2-V8 HydrophobicContact CG2-CG2 3.95Å; T6-V8 PolarHBondContact O-N 3.06Å; V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 PolarHBondContact O-N 3.46Å; V8-A11 WeakPolarHBondContact O-CB 3.37Å; V8-A11 PolarHBondContact O-N 3.45Å; V8-L12 HydrophobicContact CG1-CD1 4.19Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.29Å; V8-I42 HydrophobicContact CG1-CD1 3.99Å; V8-L48 HydrophobicContact CG1-CD1 3.97Å; V8-L48 HydrophobicContact CG1-CD2 3.83Å; V8-L48 HydrophobicContact CG1-CG 4.43Å
9M89.5Confident88.3Confident44 Ų4466.8 Ų66.822%0.21735%0.347CS..Hα-helixtrans-56.2-46.2175.1-175.268.2-156.900112P7 A11 L12 E13 I39 I42P7-M9 PolarHBondContact O-N 3.02Å; M9-A11 VanDerWaalsContact C-N 3.33Å; M9-A11 PolarHBondContact O-N 3.39Å; M9-L12 PolarHBondContact O-N 3.04Å; M9-E13 HydrophobicContact CE-CG 3.88Å; M9-E13 WeakPolarHBondContact CE-OE1 3.31Å; M9-E13 WeakPolarHBondContact O-CG 3.32Å; M9-E13 PolarHBondContact O-N 2.76Å; M9-I39 HydrophobicContact CE-CB 4.35Å; M9-I39 HydrophobicContact CE-CG1 4.07Å; M9-I39 HydrophobicContact CE-CG2 3.6Å; M9-I39 HydrophobicContact SD-CG1 4.36Å; M9-I39 HydrophobicContact SD-CG2 4.34Å; M9-I42 HydrophobicContact SD-CG2 4.43Å
10R91.4Very high88.4Confident146 Ų14664.3 Ų64.355%0.55134%0.335SS*.Hα-helixtrans-66.9-36.5179.4-170.568.1-174.5153.83.2111.8P7 V8 E13 F14P7-R10 HydrophobicContact CB-CB 4.33Å; P7-R10 WeakPolarHBondContact O-CA 3.44Å; P7-R10 WeakPolarHBondContact O-CB 3.47Å; P7-R10 PolarHBondContact O-N 2.91Å; V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 PolarHBondContact O-N 3.46Å; R10-E13 IonicContact NH1-OE2 3.09Å; R10-E13 PolarHBondContact NH1-OE2 3.42Å; R10-F14 WeakPolarHBondContact O-CB 3.28Å; R10-F14 PolarHBondContact O-N 3.2Å
11A91.5Very high88.4Confident5 Ų564 Ų644%0.04133%0.334CS..Hα-helixtrans-65.7-40.5176.100000111.8M1 I2 P7 V8 M9 F14 I15M1-A11 HydrophobicContact CB-CB 4.31Å; I2-A11 HydrophobicContact CD1-CB 4.35Å; I2-A11 HydrophobicContact CG1-CB 3.79Å; P7-A11 PolarHBondContact O-N 3.18Å; V8-A11 WeakPolarHBondContact O-CB 3.37Å; V8-A11 PolarHBondContact O-N 3.45Å; M9-A11 VanDerWaalsContact C-N 3.33Å; M9-A11 PolarHBondContact O-N 3.39Å; A11-F14 PolarHBondContact O-N 3.4Å; A11-I15 WeakPolarHBondContact O-CG1 3.29Å; A11-I15 PolarHBondContact O-N 2.57Å; A11-I15 VanDerWaalsContact O-N 3.08Å
12L91.4Very high88.7Confident12 Ų1266 Ų666%0.06334%0.34CS..Hα-helixtrans-69.4-41176.1-69.5167.9000112.6V8 M9 F14 I15 C16 A35 C38 I39 I42 L48V8-L12 HydrophobicContact CG1-CD1 4.19Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.29Å; M9-L12 PolarHBondContact O-N 3.04Å; L12-F14 VanDerWaalsContact C-N 3.28Å; L12-F14 PolarHBondContact O-N 3.17Å; L12-I15 HydrophobicContact CD2-CD1 4.44Å; L12-I15 WeakPolarHBondContact O-CB 3.25Å; L12-I15 PolarHBondContact O-N 3.37Å; L12-I15 VanDerWaalsContact O-N 3.16Å; L12-C16 PolarHBondContact O-N 3.24Å; L12-A35 HydrophobicContact CD2-CB 4.39Å; L12-C38 HydrophobicContact CD1-CB 3.68Å; L12-C38 HydrophobicContact CD2-CB 3.95Å; L12-C38 HydrophobicContact CG-CB 4.47Å; L12-I39 HydrophobicContact CB-CD1 4.02Å; L12-I39 HydrophobicContact CB-CG1 3.68Å; L12-I39 HydrophobicContact CD1-CG1 4.26Å; L12-I42 HydrophobicContact CD1-CD1 3.39Å; L12-L48 HydrophobicContact CD1-CD2 4.5Å
13E92.2Very high88.7Confident53 Ų5366.9 Ų66.925%0.24836%0.359CS..Hα-helixtrans-58.3-43.4172.8-74.3175172.300111.2M9 R10 I15 C16 D17 I39 R43M9-E13 HydrophobicContact CE-CG 3.88Å; M9-E13 WeakPolarHBondContact CE-OE1 3.31Å; M9-E13 WeakPolarHBondContact O-CG 3.32Å; M9-E13 PolarHBondContact O-N 2.76Å; R10-E13 IonicContact NH1-OE2 3.09Å; R10-E13 PolarHBondContact NH1-OE2 3.42Å; E13-I15 VanDerWaalsContact C-N 3.31Å; E13-I15 PolarHBondContact O-N 3.48Å; E13-C16 WeakPolarHBondContact O-CB 3.46Å; E13-C16 PolarHBondContact O-N 2.91Å; E13-C16 VanDerWaalsContact O-N 3.15Å; E13-D17 PolarHBondContact O-N 3.02Å; E13-I39 HydrophobicContact CG-CD1 4.29Å; E13-R43 IonicContact OE1-NH2 3.04Å
14F92.4Very high89Confident90 Ų9066.3 Ų66.340%0.39536%0.362SS..Hα-helixtrans-61.5-39.1176-178.1-100.1000112.4M1 R10 A11 L12 D17 V18M1-F14 HydrophobicContact CE-CB 4.04Å; M1-F14 HydrophobicContact CE-CD1 3.64Å; M1-F14 HydrophobicContact CE-CE1 4.2Å; M1-F14 HydrophobicContact CE-CG 3.8Å; M1-F14 HydrophobicContact SD-CD1 3.51Å; M1-F14 VanDerWaalsContact SD-CD1 3.51Å; M1-F14 HydrophobicContact SD-CE1 3.94Å; M1-F14 HydrophobicContact SD-CG 4.26Å; R10-F14 WeakPolarHBondContact O-CB 3.28Å; R10-F14 PolarHBondContact O-N 3.2Å; A11-F14 PolarHBondContact O-N 3.4Å; L12-F14 VanDerWaalsContact C-N 3.28Å; L12-F14 PolarHBondContact O-N 3.17Å; F14-D17 PolarHBondContact O-N 3.47Å; F14-V18 HydrophobicContact CD1-CG2 4.1Å; F14-V18 HydrophobicContact CD2-CG2 4.49Å; F14-V18 HydrophobicContact CE1-CG2 3.69Å; F14-V18 HydrophobicContact CE2-CG2 4.11Å; F14-V18 HydrophobicContact CG-CG2 4.49Å; F14-V18 HydrophobicContact CZ-CG2 3.69Å; F14-V18 WeakPolarHBondContact O-CB 3.39Å; F14-V18 VanDerWaalsContact O-CG2 3.26Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 3.03Å
15I90.8Very high89Confident56 Ų5667.1 Ų67.129%0.28736%0.36SS..Hα-helixtrans-60.4-46.6173.4-70.4166.7000110.5A11 L12 E13 D17 V18 E19 L31 A35A11-I15 WeakPolarHBondContact O-CG1 3.29Å; A11-I15 PolarHBondContact O-N 2.57Å; A11-I15 VanDerWaalsContact O-N 3.08Å; L12-I15 HydrophobicContact CD2-CD1 4.44Å; L12-I15 WeakPolarHBondContact O-CB 3.25Å; L12-I15 PolarHBondContact O-N 3.37Å; L12-I15 VanDerWaalsContact O-N 3.16Å; E13-I15 VanDerWaalsContact C-N 3.31Å; E13-I15 PolarHBondContact O-N 3.48Å; I15-D17 PolarHBondContact O-N 3.12Å; I15-V18 PolarHBondContact O-N 2.68Å; I15-E19 HydrophobicContact CG2-CG 4.37Å; I15-E19 WeakPolarHBondContact O-CB 3.47Å; I15-E19 WeakPolarHBondContact O-CG 3.28Å; I15-E19 PolarHBondContact O-N 3.45Å; I15-L31 HydrophobicContact CG2-CD2 3.46Å; I15-L31 VanDerWaalsContact CG2-CD2 3.46Å; I15-L31 HydrophobicContact CG2-CG 3.81Å; I15-A35 HydrophobicContact CB-CB 4.26Å; I15-A35 HydrophobicContact CG2-CB 3.75Å
16C91.7Very high89Confident14 Ų1472.7 Ų72.710%0.09537%0.366CS..Hα-helixtrans-61.2-42.2176.4-68.90000112.6L12 E13 E19 T20 Y32 A35L12-C16 PolarHBondContact O-N 3.24Å; E13-C16 WeakPolarHBondContact O-CB 3.46Å; E13-C16 PolarHBondContact O-N 2.91Å; E13-C16 VanDerWaalsContact O-N 3.15Å; C16-E19 PolarHBondContact O-N 3.5Å; C16-T20 WeakPolarHBondContact O-CB 3.24Å; C16-T20 VanDerWaalsContact O-CG2 3.27Å; C16-T20 WeakPolarHBondContact O-CG2 3.39Å; C16-T20 PolarHBondContact O-N 3.49Å; C16-T20 PolarHBondContact O-OG1 2.92Å; C16-Y32 HydrophobicContact CB-CD2 4.44Å; C16-Y32 HydrophobicContact CB-CE2 4.39Å; C16-A35 VanDerWaalsContact SG-CB 3.52Å
17D92.1Very high88.6Confident60 Ų6071.2 Ų71.232%0.32136%0.359SS..Hα-helixtrans-63.6-42.7177.8-72.9-18.9000111.1E13 F14 I15 T20 D21 F22E13-D17 PolarHBondContact O-N 3.02Å; F14-D17 PolarHBondContact O-N 3.47Å; I15-D17 PolarHBondContact O-N 3.12Å; D17-T20 PolarHBondContact O-N 3.23Å; D17-T20 PolarHBondContact O-OG1 3.37Å; D17-D21 PolarHBondContact O-N 3.32Å; D17-F22 HydrophobicContact CB-CD1 3.88Å; D17-F22 HydrophobicContact CB-CE1 3.96Å; D17-F22 WeakPolarHBondContact O-CA 3.1Å; D17-F22 PolarHBondContact O-N 2.87Å
18V91.4Very high88.4Confident70 Ų7074.5 Ų74.542%0.42437%0.367SS..Hα-helixtrans-65.2-46.2177.2170.30000111.3F14 I15 T20 D21F14-V18 HydrophobicContact CD1-CG2 4.1Å; F14-V18 HydrophobicContact CD2-CG2 4.49Å; F14-V18 HydrophobicContact CE1-CG2 3.69Å; F14-V18 HydrophobicContact CE2-CG2 4.11Å; F14-V18 HydrophobicContact CG-CG2 4.49Å; F14-V18 HydrophobicContact CZ-CG2 3.69Å; F14-V18 WeakPolarHBondContact O-CB 3.39Å; F14-V18 VanDerWaalsContact O-CG2 3.26Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 3.03Å; I15-V18 PolarHBondContact O-N 2.68Å; V18-T20 VanDerWaalsContact C-N 3.25Å; V18-T20 PolarHBondContact O-N 2.97Å; V18-D21 PolarHBondContact O-N 2.95Å; V18-D21 VanDerWaalsContact O-N 3.15Å
19E88.7Confident88.3Confident65 Ų6575 Ų7530%0.30437%0.371SS..Hα-helixtrans-66.2-26.9179.8-71.8-61.6140.400113.3I15 C16 S29 L31 Y32I15-E19 HydrophobicContact CG2-CG 4.37Å; I15-E19 WeakPolarHBondContact O-CB 3.47Å; I15-E19 WeakPolarHBondContact O-CG 3.28Å; I15-E19 PolarHBondContact O-N 3.45Å; C16-E19 PolarHBondContact O-N 3.5Å; E19-S29 VanDerWaalsContact CD-OG 3.31Å; E19-S29 WeakPolarHBondContact OE2-CB 3.36Å; E19-S29 PolarHBondContact OE2-OG 2.89Å; E19-L31 HydrophobicContact CG-CB 4.27Å; E19-L31 HydrophobicContact CG-CD2 3.82Å; E19-L31 HydrophobicContact CG-CG 4.48Å; E19-L31 VanDerWaalsContact OE1-CD2 3.23Å; E19-L31 WeakPolarHBondContact OE1-CD2 3.4Å; E19-Y32 HydrophobicContact CB-CD2 4.32Å
20T89.8Confident88.1Confident16 Ų1675 Ų7510%0.09838%0.382CS..THydrogen-bonded Turntrans-92.43.2176.5590000113.6C16 D17 V18 F22 G23 K24 K25 Y32C16-T20 WeakPolarHBondContact O-CB 3.24Å; C16-T20 VanDerWaalsContact O-CG2 3.27Å; C16-T20 WeakPolarHBondContact O-CG2 3.39Å; C16-T20 PolarHBondContact O-N 3.49Å; C16-T20 PolarHBondContact O-OG1 2.92Å; D17-T20 PolarHBondContact O-N 3.23Å; D17-T20 PolarHBondContact O-OG1 3.37Å; V18-T20 VanDerWaalsContact C-N 3.25Å; V18-T20 PolarHBondContact O-N 2.97Å; T20-F22 VanDerWaalsContact C-N 3.28Å; T20-F22 PolarHBondContact O-N 3.36Å; T20-G23 CarbonylContact O-C 3.51Å; T20-G23 PolarHBondContact O-N 2.94Å; T20-G23 VanDerWaalsContact O-N 3.12Å; T20-G23 PolarHBondContact OG1-N 3.43Å; T20-K24 PolarHBondContact O-N 3.47Å; T20-K25 WeakPolarHBondContact CA-O 3.48Å; T20-K25 WeakPolarHBondContact CB-O 3.43Å; T20-K25 PolarHBondContact O-N 3.35Å; T20-Y32 HydrophobicContact CG2-CD2 3.81Å; T20-Y32 HydrophobicContact CG2-CE2 3.45Å; T20-Y32 VanDerWaalsContact CG2-CE2 3.45Å
21D88.5Confident87.9Confident59 Ų5972 Ų7232%0.31638%0.377SS..THydrogen-bonded Turntrans4952.2-170.7-173.912.8000111D17 V18 G23 K24 K25D17-D21 PolarHBondContact O-N 3.32Å; V18-D21 PolarHBondContact O-N 2.95Å; V18-D21 VanDerWaalsContact O-N 3.15Å; D21-G23 VanDerWaalsContact C-N 3.26Å; D21-G23 PolarHBondContact O-N 3.35Å; D21-K24 HydrophobicContact CB-CB 4.16Å; D21-K24 VanDerWaalsContact O-CB 3.32Å; D21-K24 WeakPolarHBondContact O-CB 3.45Å; D21-K24 VanDerWaalsContact O-CG 3.28Å; D21-K24 WeakPolarHBondContact O-CG 3.34Å; D21-K24 PolarHBondContact O-N 3.21Å; D21-K24 VanDerWaalsContact O-N 3.08Å; D21-K24 IonicContact OD1-NZ 3.35Å; D21-K25 HydrophobicContact CB-CD 4.24Å; D21-K25 HydrophobicContact CB-CG 4.24Å
22F87.2Confident87.8Confident137 Ų13774.8 Ų74.860%0.60139%0.387SS*.THydrogen-bonded Turntrans50.944-175.7-59.8-85.3000112.8D17 T20D17-F22 HydrophobicContact CB-CD1 3.88Å; D17-F22 HydrophobicContact CB-CE1 3.96Å; D17-F22 WeakPolarHBondContact O-CA 3.1Å; D17-F22 PolarHBondContact O-N 2.87Å; T20-F22 VanDerWaalsContact C-N 3.28Å; T20-F22 PolarHBondContact O-N 3.36Å
23G83.5Confident87.7Confident61 Ų6179 Ų7963%0.62941%0.405SS*.THydrogen-bonded Turntrans85.91.3179.300000115.9T20 D21T20-G23 CarbonylContact O-C 3.51Å; T20-G23 PolarHBondContact O-N 2.94Å; T20-G23 VanDerWaalsContact O-N 3.12Å; T20-G23 PolarHBondContact OG1-N 3.43Å; D21-G23 VanDerWaalsContact C-N 3.26Å; D21-G23 PolarHBondContact O-N 3.35Å
24K86.2Confident87.6Confident163 Ų16378.6 Ų78.671%0.70940%0.404SS*.THydrogen-bonded Turntrans-74-27.4176.3-67.1175.4-172.1164.10113.2T20 D21T20-K24 PolarHBondContact O-N 3.47Å; D21-K24 HydrophobicContact CB-CB 4.16Å; D21-K24 VanDerWaalsContact O-CB 3.32Å; D21-K24 WeakPolarHBondContact O-CB 3.45Å; D21-K24 VanDerWaalsContact O-CG 3.28Å; D21-K24 WeakPolarHBondContact O-CG 3.34Å; D21-K24 PolarHBondContact O-N 3.21Å; D21-K24 VanDerWaalsContact O-N 3.08Å; D21-K24 IonicContact OD1-NZ 3.35Å
25K85.2Confident87.6Confident135 Ų13574.3 Ų74.359%0.58739%0.386SS*.SBendtrans-120.5146.1-178.4-64.6-179.3-174.8173.40110.3T20 D21 G27T20-K25 WeakPolarHBondContact CA-O 3.48Å; T20-K25 WeakPolarHBondContact CB-O 3.43Å; T20-K25 PolarHBondContact O-N 3.35Å; D21-K25 HydrophobicContact CB-CD 4.24Å; D21-K25 HydrophobicContact CB-CG 4.24Å; K25-G27 PolarHBondContact O-N 3.13Å
26K83.3Confident87.6Confident181 Ų18173.5 Ų73.579%0.78738%0.384SS*.  trans-67.8127.2168.5-65.7-172.6178.8-176.20108.2Q28K26-Q28 HydrophobicContact CB-CG 4.4Å; K26-Q28 PolarHBondContact O-N 2.99Å; K26-Q28 VanDerWaalsContact O-N 3.15Å
27G79.5Confident87.6Confident12 Ų1276.3 Ų76.312%0.12440%0.397CS..  trans-65.5110.6174.500000109.8K25 Y32K25-G27 PolarHBondContact O-N 3.13Å; G27-Y32 VanDerWaalsContact C-CD1 3.46Å; G27-Y32 VanDerWaalsContact O-CD1 3.24Å; G27-Y32 WeakPolarHBondContact O-CD1 3.21Å; G27-Y32 WeakPolarHBondContact O-CE1 3.28Å
28Q83.5Confident87.6Confident157 Ų15773.5 Ų73.573%0.73438%0.383SS*.  trans-126.5-3.4-177.7-70-174.2-17.700112.9K26K26-Q28 HydrophobicContact CB-CG 4.4Å; K26-Q28 PolarHBondContact O-N 2.99Å; K26-Q28 VanDerWaalsContact O-N 3.15Å
29S84.5Confident87.6Confident38 Ų3871 Ų7127%0.26637%0.367SS..SBendtrans-76155.3178.365.30000111.2E19 L31 Y32 F33E19-S29 VanDerWaalsContact CD-OG 3.31Å; E19-S29 WeakPolarHBondContact OE2-CB 3.36Å; E19-S29 PolarHBondContact OE2-OG 2.89Å; S29-L31 PolarHBondContact O-N 3.43Å; S29-Y32 WeakPolarHBondContact O-CB 3.31Å; S29-Y32 PolarHBondContact O-N 3.14Å; S29-Y32 WeakPolarHBondContact OG-CB 3.37Å; S29-Y32 PolarHBondContact OG-N 3.43Å; S29-F33 VanDerWaalsContact O-CD2 3.29Å; S29-F33 WeakPolarHBondContact O-CD2 3.09Å; S29-F33 PolarHBondContact O-N 3.18Å
30G85.4Confident87.8Confident44 Ų4470.5 Ų70.545%0.45437%0.374SS..Hα-helixtrans-59.3-32.6172.900000112.7F33 L34G30-F33 PolarHBondContact O-N 3.13Å; G30-L34 WeakPolarHBondContact O-CB 3.49Å; G30-L34 PolarHBondContact O-N 3.02Å
31L86.7Confident87.8Confident85 Ų8570.2 Ų70.245%0.44537%0.373SS..Hα-helixtrans-65.2-39.2176.9-162.286.3000111.9I15 E19 S29 A35I15-L31 HydrophobicContact CG2-CD2 3.46Å; I15-L31 VanDerWaalsContact CG2-CD2 3.46Å; I15-L31 HydrophobicContact CG2-CG 3.81Å; E19-L31 HydrophobicContact CG-CB 4.27Å; E19-L31 HydrophobicContact CG-CD2 3.82Å; E19-L31 HydrophobicContact CG-CG 4.48Å; E19-L31 VanDerWaalsContact OE1-CD2 3.23Å; E19-L31 WeakPolarHBondContact OE1-CD2 3.4Å; S29-L31 PolarHBondContact O-N 3.43Å; L31-A35 VanDerWaalsContact O-CB 3.28Å; L31-A35 WeakPolarHBondContact O-CB 3.49Å; L31-A35 PolarHBondContact O-N 2.86Å
32Y90.1Very high87.9Confident62 Ų6269 Ų6924%0.24337%0.366CS..Hα-helixtrans-61.4-51.2175.8175.4-98.7000111.4C16 E19 T20 G27 S29 L34 A35 T36C16-Y32 HydrophobicContact CB-CD2 4.44Å; C16-Y32 HydrophobicContact CB-CE2 4.39Å; E19-Y32 HydrophobicContact CB-CD2 4.32Å; T20-Y32 HydrophobicContact CG2-CD2 3.81Å; T20-Y32 HydrophobicContact CG2-CE2 3.45Å; T20-Y32 VanDerWaalsContact CG2-CE2 3.45Å; G27-Y32 VanDerWaalsContact C-CD1 3.46Å; G27-Y32 VanDerWaalsContact O-CD1 3.24Å; G27-Y32 WeakPolarHBondContact O-CD1 3.21Å; G27-Y32 WeakPolarHBondContact O-CE1 3.28Å; S29-Y32 WeakPolarHBondContact O-CB 3.31Å; S29-Y32 PolarHBondContact O-N 3.14Å; S29-Y32 WeakPolarHBondContact OG-CB 3.37Å; S29-Y32 PolarHBondContact OG-N 3.43Å; Y32-L34 PolarHBondContact O-N 3.49Å; Y32-A35 PolarHBondContact O-N 3Å; Y32-T36 HydrophobicContact CD1-CG2 4.4Å; Y32-T36 HydrophobicContact CD2-CG2 4.38Å; Y32-T36 HydrophobicContact CE1-CG2 3.99Å; Y32-T36 HydrophobicContact CE2-CG2 3.95Å; Y32-T36 WeakPolarHBondContact O-CG2 3.41Å; Y32-T36 PolarHBondContact O-N 2.78Å; Y32-T36 PolarHBondContact O-OG1 3.41Å; Y32-T36 VanDerWaalsContact O-OG1 3.1Å
33F89.6Confident88.1Confident101 Ų10171 Ų7144%0.44337%0.369SS..Hα-helixtrans-59.9-44.9178.9-72.6-68.2000112.1S29 G30 A35 T36 D37 W55S29-F33 VanDerWaalsContact O-CD2 3.29Å; S29-F33 WeakPolarHBondContact O-CD2 3.09Å; S29-F33 PolarHBondContact O-N 3.18Å; G30-F33 PolarHBondContact O-N 3.13Å; F33-A35 PolarHBondContact O-N 3.41Å; F33-T36 WeakPolarHBondContact CA-OG1 3.44Å; F33-T36 PolarHBondContact O-N 2.97Å; F33-T36 PolarHBondContact O-OG1 3.41Å; F33-D37 WeakPolarHBondContact O-CB 3.26Å; F33-D37 VanDerWaalsContact O-CG 3.28Å; F33-D37 PolarHBondContact O-N 3.21Å; F33-W55 HydrophobicContact CB-CH2 3.87Å; F33-W55 HydrophobicContact CB-CZ2 3.9Å
34L90.5Very high88.5Confident44 Ų4472.9 Ų72.923%0.2337%0.373CS..Hα-helixtrans-59.4-45.8175.8-179.6148.4000111.9G30 Y32 D37 C38 W55G30-L34 WeakPolarHBondContact O-CB 3.49Å; G30-L34 PolarHBondContact O-N 3.02Å; Y32-L34 PolarHBondContact O-N 3.49Å; L34-D37 PolarHBondContact O-N 2.82Å; L34-C38 WeakPolarHBondContact O-CB 3.5Å; L34-C38 PolarHBondContact O-N 3.31Å; L34-C38 PolarHBondContact O-SG 3.26Å; L34-W55 HydrophobicContact CB-CD2 3.95Å; L34-W55 HydrophobicContact CB-CE3 4.12Å; L34-W55 HydrophobicContact CB-CG 4.45Å; L34-W55 HydrophobicContact CB-CH2 4.34Å; L34-W55 HydrophobicContact CB-CZ2 4.17Å; L34-W55 HydrophobicContact CB-CZ3 4.31Å; L34-W55 HydrophobicContact CD1-CB 3.67Å; L34-W55 HydrophobicContact CD1-CD2 3.74Å; L34-W55 HydrophobicContact CD1-CE3 3.86Å; L34-W55 HydrophobicContact CD1-CG 3.67Å; L34-W55 HydrophobicContact CG-CD2 4.11Å; L34-W55 HydrophobicContact CG-CE3 4.49Å; L34-W55 HydrophobicContact CG-CG 4.12Å
35A91.4Very high88.5Confident1 Ų167.8 Ų67.81%0.00836%0.357CS..Hα-helixtrans-66.3-39.8179.900000111.8L12 I15 C16 L31 Y32 F33 C38 I39L12-A35 HydrophobicContact CD2-CB 4.39Å; I15-A35 HydrophobicContact CB-CB 4.26Å; I15-A35 HydrophobicContact CG2-CB 3.75Å; C16-A35 VanDerWaalsContact SG-CB 3.52Å; L31-A35 VanDerWaalsContact O-CB 3.28Å; L31-A35 WeakPolarHBondContact O-CB 3.49Å; L31-A35 PolarHBondContact O-N 2.86Å; Y32-A35 PolarHBondContact O-N 3Å; F33-A35 PolarHBondContact O-N 3.41Å; A35-C38 PolarHBondContact O-N 2.83Å; A35-I39 WeakPolarHBondContact O-CB 3.39Å; A35-I39 VanDerWaalsContact O-CG1 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.3Å; A35-I39 PolarHBondContact O-N 2.98Å
36T91.1Very high88.5Confident39 Ų3964.1 Ų64.124%0.23936%0.358CS..Hα-helixtrans-65.5-40.1175.650.30000112.7Y32 F33 I39 A40Y32-T36 HydrophobicContact CD1-CG2 4.4Å; Y32-T36 HydrophobicContact CD2-CG2 4.38Å; Y32-T36 HydrophobicContact CE1-CG2 3.99Å; Y32-T36 HydrophobicContact CE2-CG2 3.95Å; Y32-T36 WeakPolarHBondContact O-CG2 3.41Å; Y32-T36 PolarHBondContact O-N 2.78Å; Y32-T36 PolarHBondContact O-OG1 3.41Å; Y32-T36 VanDerWaalsContact O-OG1 3.1Å; F33-T36 WeakPolarHBondContact CA-OG1 3.44Å; F33-T36 PolarHBondContact O-N 2.97Å; F33-T36 PolarHBondContact O-OG1 3.41Å; T36-I39 PolarHBondContact O-N 3.42Å; T36-A40 PolarHBondContact O-N 3.15Å
37D91.3Very high88.7Confident72 Ų7259.5 Ų59.539%0.38534%0.339SS..Hα-helixtrans-66.7-42.3176.6-71.5-13.1000111F33 L34 I39 A40 S41 A51 W55F33-D37 WeakPolarHBondContact O-CB 3.26Å; F33-D37 VanDerWaalsContact O-CG 3.28Å; F33-D37 PolarHBondContact O-N 3.21Å; L34-D37 PolarHBondContact O-N 2.82Å; D37-I39 PolarHBondContact O-N 3.3Å; D37-A40 PolarHBondContact O-N 3.48Å; D37-S41 WeakPolarHBondContact O-CB 3.4Å; D37-S41 PolarHBondContact O-N 3.11Å; D37-A51 HydrophobicContact CB-CB 4.3Å; D37-W55 PolarHBondContact OD2-NE1 2.92Å
38C91.9Very high89.1Confident2 Ų259.1 Ų59.11%0.01433%0.334CS..Hα-helixtrans-61.8-42.5174.8-69.30000111.7L12 L34 A35 A40 S41 I42L12-C38 HydrophobicContact CD1-CB 3.68Å; L12-C38 HydrophobicContact CD2-CB 3.95Å; L12-C38 HydrophobicContact CG-CB 4.47Å; L34-C38 WeakPolarHBondContact O-CB 3.5Å; L34-C38 PolarHBondContact O-N 3.31Å; L34-C38 PolarHBondContact O-SG 3.26Å; A35-C38 PolarHBondContact O-N 2.83Å; C38-A40 PolarHBondContact O-N 3.07Å; C38-S41 PolarHBondContact O-N 2.66Å; C38-I42 VanDerWaalsContact O-CG1 3.28Å; C38-I42 WeakPolarHBondContact O-CG1 3.45Å; C38-I42 PolarHBondContact O-N 3.19Å
39I92.1Very high89.3Confident17 Ų1752 Ų529%0.08730%0.302CS..Hα-helixtrans-59.3-46.1174.2-75.7165.2000110.9M9 L12 E13 A35 T36 D37 I42 R43M9-I39 HydrophobicContact CE-CB 4.35Å; M9-I39 HydrophobicContact CE-CG1 4.07Å; M9-I39 HydrophobicContact CE-CG2 3.6Å; M9-I39 HydrophobicContact SD-CG1 4.36Å; M9-I39 HydrophobicContact SD-CG2 4.34Å; L12-I39 HydrophobicContact CB-CD1 4.02Å; L12-I39 HydrophobicContact CB-CG1 3.68Å; L12-I39 HydrophobicContact CD1-CG1 4.26Å; E13-I39 HydrophobicContact CG-CD1 4.29Å; A35-I39 WeakPolarHBondContact O-CB 3.39Å; A35-I39 VanDerWaalsContact O-CG1 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.3Å; A35-I39 PolarHBondContact O-N 2.98Å; T36-I39 PolarHBondContact O-N 3.42Å; D37-I39 PolarHBondContact O-N 3.3Å; I39-I42 PolarHBondContact O-N 2.98Å; I39-R43 WeakPolarHBondContact O-CB 3.28Å; I39-R43 VanDerWaalsContact O-CG 3.29Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.4Å
40A91.7Very high89.4Confident55 Ų5553.3 Ų53.346%0.45531%0.309SS..Hα-helixtrans-64.2-39.1178.400000112.3T36 D37 C38 R43 S44T36-A40 PolarHBondContact O-N 3.15Å; D37-A40 PolarHBondContact O-N 3.48Å; C38-A40 PolarHBondContact O-N 3.07Å; A40-R43 PolarHBondContact O-N 2.93Å; A40-S44 WeakPolarHBondContact O-CB 3.29Å; A40-S44 PolarHBondContact O-N 2.97Å; A40-S44 PolarHBondContact O-OG 3.42Å
41S90.8Very high89.5Confident10 Ų1051.8 Ų51.87%0.0729%0.293CS..Hα-helixtrans-67.7-43.7177.2-1770000112.6D37 C38 R43 S44 S45 Q47 A51D37-S41 WeakPolarHBondContact O-CB 3.4Å; D37-S41 PolarHBondContact O-N 3.11Å; C38-S41 PolarHBondContact O-N 2.66Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 2.99Å; S41-S44 WeakPolarHBondContact CA-OG 3.41Å; S41-S44 PolarHBondContact O-N 3.03Å; S41-S44 PolarHBondContact O-OG 2.98Å; S41-S44 VanDerWaalsContact O-OG 3.13Å; S41-S45 PolarHBondContact O-N 3.32Å; S41-S45 PolarHBondContact O-OG 3.04Å; S41-Q47 CarbonylContact C-O 3.28Å; S41-Q47 VanDerWaalsContact C-O 3.28Å; S41-Q47 WeakPolarHBondContact CB-O 3.34Å; S41-Q47 PolarHBondContact OG-O 3.21Å; S41-A51 VanDerWaalsContact CB-CB 3.46Å; S41-A51 PolarHBondContact OG-N 2.9Å
42I90.8Very high89.5Confident34 Ų3448.3 Ų48.317%0.17427%0.274CS..Hα-helixtrans-62.8-42.7175.7-67.4170.7000110.4V8 M9 L12 C38 I39 S44 G46 Q47 L48V8-I42 HydrophobicContact CG1-CD1 3.99Å; M9-I42 HydrophobicContact SD-CG2 4.43Å; L12-I42 HydrophobicContact CD1-CD1 3.39Å; C38-I42 VanDerWaalsContact O-CG1 3.28Å; C38-I42 WeakPolarHBondContact O-CG1 3.45Å; C38-I42 PolarHBondContact O-N 3.19Å; I39-I42 PolarHBondContact O-N 2.98Å; I42-S44 VanDerWaalsContact C-N 3.31Å; I42-S44 PolarHBondContact O-N 3.14Å; I42-G46 VanDerWaalsContact O-CA 3.24Å; I42-G46 WeakPolarHBondContact O-CA 3.24Å; I42-G46 PolarHBondContact O-N 2.8Å; I42-Q47 PolarHBondContact N-O 3.45Å; I42-L48 HydrophobicContact CD1-CD1 3.67Å; I42-L48 HydrophobicContact CD1-CD2 4.3Å; I42-L48 HydrophobicContact CD1-CG 3.73Å; I42-L48 HydrophobicContact CG1-CD1 3.73Å; I42-L48 HydrophobicContact CG1-CG 3.8Å
43R91.6Very high89.3Confident179 Ų17952.3 Ų52.368%0.67529%0.293SS*.Hα-helixtrans-65.1-32.3179.1-75.4178.1179.6173.24113.4E13 I39 A40 S41E13-R43 IonicContact OE1-NH2 3.04Å; I39-R43 WeakPolarHBondContact O-CB 3.28Å; I39-R43 VanDerWaalsContact O-CG 3.29Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.4Å; A40-R43 PolarHBondContact O-N 2.93Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 2.99Å
44S90.8Very high88.9Confident100 Ų10054.2 Ų54.270%0.69931%0.308SS*.Hα-helixtrans-90.6-43.2-177.1540000113.6A40 S41 I42A40-S44 WeakPolarHBondContact O-CB 3.29Å; A40-S44 PolarHBondContact O-N 2.97Å; A40-S44 PolarHBondContact O-OG 3.42Å; S41-S44 WeakPolarHBondContact CA-OG 3.41Å; S41-S44 PolarHBondContact O-N 3.03Å; S41-S44 PolarHBondContact O-OG 2.98Å; S41-S44 VanDerWaalsContact O-OG 3.13Å; I42-S44 VanDerWaalsContact C-N 3.31Å; I42-S44 PolarHBondContact O-N 3.14Å
45S86.7Confident88.6Confident55 Ų5557.1 Ų57.139%0.38532%0.316SS..Hα-helixtrans-116.1-10.8-170.669.40000114.5S41 Q47S41-S45 PolarHBondContact O-N 3.32Å; S41-S45 PolarHBondContact O-OG 3.04Å; S45-Q47 PolarHBondContact O-N 3.17Å; S45-Q47 PolarHBondContact OG-N 3.33Å; S45-Q47 PolarHBondContact OG-O 3.44Å
46G85.8Confident88.2Confident58 Ų5858.6 Ų58.660%0.59833%0.325SS*.SBendtrans72.22.1-170.600000114.3I42I42-G46 VanDerWaalsContact O-CA 3.24Å; I42-G46 WeakPolarHBondContact O-CA 3.24Å; I42-G46 PolarHBondContact O-N 2.8Å
47Q87.1Confident87.6Confident85 Ų8559 Ų5940%0.39733%0.328SS..  trans-122.8147.9-175.1-63.7174.413.900110.8S41 I42 S45 P50S41-Q47 CarbonylContact C-O 3.28Å; S41-Q47 VanDerWaalsContact C-O 3.28Å; S41-Q47 WeakPolarHBondContact CB-O 3.34Å; S41-Q47 PolarHBondContact OG-O 3.21Å; I42-Q47 PolarHBondContact N-O 3.45Å; S45-Q47 PolarHBondContact O-N 3.17Å; S45-Q47 PolarHBondContact OG-N 3.33Å; S45-Q47 PolarHBondContact OG-O 3.44Å; Q47-P50 HydrophobicContact CB-CG 4.27Å
48L88.1Confident87.1Confident4 Ų460.5 Ų60.52%0.02133%0.331CS..SBendtrans-87.9-32.6170.9-69.983000111.6V8 L12 I42 P50 A51 L52 E68 M77V8-L48 HydrophobicContact CG1-CD1 3.97Å; V8-L48 HydrophobicContact CG1-CD2 3.83Å; V8-L48 HydrophobicContact CG1-CG 4.43Å; L12-L48 HydrophobicContact CD1-CD2 4.5Å; I42-L48 HydrophobicContact CD1-CD1 3.67Å; I42-L48 HydrophobicContact CD1-CD2 4.3Å; I42-L48 HydrophobicContact CD1-CG 3.73Å; I42-L48 HydrophobicContact CG1-CD1 3.73Å; I42-L48 HydrophobicContact CG1-CG 3.8Å; L48-P50 VanDerWaalsContact C-N 3.28Å; L48-P50 VanDerWaalsContact O-N 3.12Å; L48-A51 PolarHBondContact O-N 3.22Å; L48-L52 HydrophobicContact CB-CD1 4.13Å; L48-L52 PolarHBondContact O-N 2.92Å; L48-L52 VanDerWaalsContact O-N 3.17Å; L48-E68 VanDerWaalsContact CA-OE1 3.28Å; L48-E68 WeakPolarHBondContact CA-OE1 3.41Å; L48-E68 WeakPolarHBondContact CB-OE1 3.16Å; L48-E68 PolarHBondContact N-OE1 3.02Å; L48-M77 HydrophobicContact CD2-CE 4.5Å
49S86.6Confident86.5Confident8 Ų864.7 Ų64.76%0.05635%0.353CS..Hα-helixtrans-47.1-41.2-176.5-61.10000114.7L52 K53 R65 E68S49-L52 PolarHBondContact O-N 3.32Å; S49-K53 PolarHBondContact O-N 3.4Å; S49-R65 VanDerWaalsContact OG-CA 3.31Å; S49-R65 WeakPolarHBondContact OG-CA 3.36Å; S49-R65 WeakPolarHBondContact OG-CB 3.49Å; S49-R65 PolarHBondContact OG-N 3.1Å; S49-E68 VanDerWaalsContact CB-OE2 3.32Å; S49-E68 WeakPolarHBondContact CB-OE2 3.36Å; S49-E68 PolarHBondContact N-OE1 3.47Å; S49-E68 VanDerWaalsContact N-OE1 3.11Å; S49-E68 VanDerWaalsContact OG-CD 3.24Å; S49-E68 PolarHBondContact OG-OE2 3.42Å
50P86.8Confident86.1Confident64 Ų6465.5 Ų65.542%0.41636%0.357SS..Hα-helixtrans-63.6-40.7178.5-22.534.4000114Q47 L48 K53Q47-P50 HydrophobicContact CB-CG 4.27Å; L48-P50 VanDerWaalsContact C-N 3.28Å; L48-P50 VanDerWaalsContact O-N 3.12Å; P50-K53 WeakPolarHBondContact O-CB 3.29Å
51A88.2Confident86Confident13 Ų1364 Ų6411%0.10734%0.341CS..Hα-helixtrans-69.1-38.1176.600000112.2D37 S41 L48 K53D37-A51 HydrophobicContact CB-CB 4.3Å; S41-A51 VanDerWaalsContact CB-CB 3.46Å; S41-A51 PolarHBondContact OG-N 2.9Å; L48-A51 PolarHBondContact O-N 3.22Å; A51-K53 PolarHBondContact O-N 3.46Å
52L87.1Confident85.7Confident11 Ų1165.2 Ų65.26%0.05835%0.352CS..Hα-helixtrans-70.7-13-176.3-67.2174000113.6L48 S49 D54 W55 V56 I61 I64L48-L52 HydrophobicContact CB-CD1 4.13Å; L48-L52 PolarHBondContact O-N 2.92Å; L48-L52 VanDerWaalsContact O-N 3.17Å; S49-L52 PolarHBondContact O-N 3.32Å; L52-D54 PolarHBondContact O-N 2.74Å; L52-D54 VanDerWaalsContact O-N 3.12Å; L52-W55 PolarHBondContact O-N 3.39Å; L52-V56 HydrophobicContact CB-CB 4.39Å; L52-V56 HydrophobicContact CB-CG2 4.3Å; L52-V56 HydrophobicContact CD2-CG2 3.98Å; L52-V56 PolarHBondContact O-N 3.22Å; L52-I61 HydrophobicContact CB-CG1 4.28Å; L52-I64 HydrophobicContact CD1-CD1 3.51Å; L52-I64 HydrophobicContact CD1-CG2 4.13Å
53K84.9Confident85.6Confident147 Ų14766.9 Ų66.964%0.63936%0.361SS*.THydrogen-bonded Turntrans-50.7-37.2-179.4-169.4-179.5173.6-170.30114.1S49 P50 A51 I61S49-K53 PolarHBondContact O-N 3.4Å; P50-K53 WeakPolarHBondContact O-CB 3.29Å; A51-K53 PolarHBondContact O-N 3.46Å; K53-I61 VanDerWaalsContact CA-CD1 3.5Å
54D81.3Confident85.5Confident141 Ų14158.6 Ų58.675%0.75433%0.33SS*.THydrogen-bonded Turntrans-93.2-11.3-175.8-62.3-28.2000113.1L52L52-D54 PolarHBondContact O-N 2.74Å; L52-D54 VanDerWaalsContact O-N 3.12Å
55W84.4Confident85.4Confident105 Ų10560.2 Ų60.240%0.39832%0.32SS..THydrogen-bonded Turntrans-110.6-25.3-171.7-65.995.5000113.9F33 L34 D37 L52F33-W55 HydrophobicContact CB-CH2 3.87Å; F33-W55 HydrophobicContact CB-CZ2 3.9Å; L34-W55 HydrophobicContact CB-CD2 3.95Å; L34-W55 HydrophobicContact CB-CE3 4.12Å; L34-W55 HydrophobicContact CB-CG 4.45Å; L34-W55 HydrophobicContact CB-CH2 4.34Å; L34-W55 HydrophobicContact CB-CZ2 4.17Å; L34-W55 HydrophobicContact CB-CZ3 4.31Å; L34-W55 HydrophobicContact CD1-CB 3.67Å; L34-W55 HydrophobicContact CD1-CD2 3.74Å; L34-W55 HydrophobicContact CD1-CE3 3.86Å; L34-W55 HydrophobicContact CD1-CG 3.67Å; L34-W55 HydrophobicContact CG-CD2 4.11Å; L34-W55 HydrophobicContact CG-CE3 4.49Å; L34-W55 HydrophobicContact CG-CG 4.12Å; D37-W55 PolarHBondContact OD2-NE1 2.92Å; L52-W55 PolarHBondContact O-N 3.39Å
56V82.9Confident85.5Confident31 Ų3161.3 Ų61.319%0.18832%0.322CS..SBendtrans-128.5145.4-165.9175.10000110L52 E60 I61L52-V56 HydrophobicContact CB-CB 4.39Å; L52-V56 HydrophobicContact CB-CG2 4.3Å; L52-V56 HydrophobicContact CD2-CG2 3.98Å; L52-V56 PolarHBondContact O-N 3.22Å; V56-E60 HydrophobicContact CG1-CB 3.34Å; V56-E60 HydrophobicContact CG1-CG 4.31Å; V56-E60 VanDerWaalsContact CG1-OE2 3.29Å; V56-E60 WeakPolarHBondContact CG1-OE2 3.34Å; V56-I61 HydrophobicContact CB-CD1 4.48Å; V56-I61 HydrophobicContact CB-CG1 4.09Å; V56-I61 HydrophobicContact CG1-CG1 4.11Å; V56-I61 WeakPolarHBondContact O-CD1 3.33Å
57P79.3Confident85.6Confident48 Ų4858.8 Ų58.831%0.31230%0.296SS..  trans-56.2149.3173.8-2534.7000112.9D59 E60 I61P57-D59 VanDerWaalsContact C-N 3.25Å; P57-D59 PolarHBondContact O-N 3.32Å; P57-E60 PolarHBondContact O-N 2.76Å; P57-E60 VanDerWaalsContact O-N 3.09Å; P57-I61 WeakPolarHBondContact O-CG1 3.23Å; P57-I61 PolarHBondContact O-N 3.2Å; P57-I61 VanDerWaalsContact O-N 3.07Å
58K80.8Confident85.7Confident103 Ų10356 Ų5645%0.44828%0.284SS..Hα-helixtrans-58.4-35.6-175.7-66.6-176.6-170.8156.50113.5E60 I61 A62 N181K58-E60 VanDerWaalsContact C-N 3.34Å; K58-I61 PolarHBondContact O-N 3.18Å; K58-A62 PolarHBondContact O-N 3.41Å; K58-N181 VanDerWaalsContact CD-O 3.28Å; K58-N181 WeakPolarHBondContact CD-O 3.25Å; K58-N181 VanDerWaalsContact CE-O 3.25Å; K58-N181 WeakPolarHBondContact CE-O 3.49Å; K58-N181 PolarHBondContact NZ-O 3.41Å
59D78.2Confident85.7Confident91 Ų9162 Ų6249%0.48731%0.311SS..Hα-helixtrans-64.3-39.9178.5-72.1-0.8000112P57 A62 L63P57-D59 VanDerWaalsContact C-N 3.25Å; P57-D59 PolarHBondContact O-N 3.32Å; D59-A62 PolarHBondContact O-N 2.9Å; D59-L63 PolarHBondContact O-N 3.44Å; D59-L63 VanDerWaalsContact O-N 3.15Å
60E85.3Confident85.7Confident33 Ų3371.8 Ų71.815%0.15435%0.347CS..Hα-helixtrans-71.9-36.8176.9-69.9177.8-161.500111V56 P57 K58 L63 I64 V80V56-E60 HydrophobicContact CG1-CB 3.34Å; V56-E60 HydrophobicContact CG1-CG 4.31Å; V56-E60 VanDerWaalsContact CG1-OE2 3.29Å; V56-E60 WeakPolarHBondContact CG1-OE2 3.34Å; P57-E60 PolarHBondContact O-N 2.76Å; P57-E60 VanDerWaalsContact O-N 3.09Å; K58-E60 VanDerWaalsContact C-N 3.34Å; E60-L63 PolarHBondContact O-N 2.93Å; E60-I64 WeakPolarHBondContact O-CG1 3.46Å; E60-I64 PolarHBondContact O-N 3.09Å; E60-V80 HydrophobicContact CB-CG1 3.85Å; E60-V80 HydrophobicContact CB-CG2 3.97Å; E60-V80 HydrophobicContact CG-CG1 3.79Å; E60-V80 HydrophobicContact CG-CG2 4.26Å; E60-V80 VanDerWaalsContact OE2-CG1 3.32Å; E60-V80 WeakPolarHBondContact OE2-CG1 3.45Å
61I87.9Confident85.7Confident23 Ų2371.9 Ų71.912%0.11836%0.36CS..Hα-helixtrans-63.5-42.9173.5-63.9153.9000111L52 K53 V56 P57 K58 L63 I64 R65L52-I61 HydrophobicContact CB-CG1 4.28Å; K53-I61 VanDerWaalsContact CA-CD1 3.5Å; V56-I61 HydrophobicContact CB-CD1 4.48Å; V56-I61 HydrophobicContact CB-CG1 4.09Å; V56-I61 HydrophobicContact CG1-CG1 4.11Å; V56-I61 WeakPolarHBondContact O-CD1 3.33Å; P57-I61 WeakPolarHBondContact O-CG1 3.23Å; P57-I61 PolarHBondContact O-N 3.2Å; P57-I61 VanDerWaalsContact O-N 3.07Å; K58-I61 PolarHBondContact O-N 3.18Å; I61-L63 VanDerWaalsContact C-N 3.29Å; I61-L63 PolarHBondContact O-N 2.7Å; I61-I64 PolarHBondContact O-N 2.93Å; I61-R65 WeakPolarHBondContact O-CB 3.33Å; I61-R65 PolarHBondContact O-N 3.34Å
62A86.1Confident85.6Confident37 Ų3775.2 Ų75.231%0.30638%0.376SS..Hα-helixtrans-62.4-38.1177.300000111.7K58 D59 R65 N66K58-A62 PolarHBondContact O-N 3.41Å; D59-A62 PolarHBondContact O-N 2.9Å; A62-R65 PolarHBondContact O-N 3.43Å; A62-N66 WeakPolarHBondContact O-CB 3.34Å; A62-N66 PolarHBondContact O-N 3.43Å; A62-N66 PolarHBondContact O-ND2 3.35Å
63L87.1Confident85.7Confident68 Ų6876.5 Ų76.536%0.35638%0.382SS..Hα-helixtrans-66.1-42.5175.3-172.159000111.9D59 E60 I61 N66 G67 Q79 V80D59-L63 PolarHBondContact O-N 3.44Å; D59-L63 VanDerWaalsContact O-N 3.15Å; E60-L63 PolarHBondContact O-N 2.93Å; I61-L63 VanDerWaalsContact C-N 3.29Å; I61-L63 PolarHBondContact O-N 2.7Å; L63-N66 PolarHBondContact O-N 3.33Å; L63-G67 PolarHBondContact O-N 3.13Å; L63-Q79 HydrophobicContact CD2-CB 3.85Å; L63-V80 HydrophobicContact CB-CG2 4.11Å; L63-V80 HydrophobicContact CD2-CG2 3.77Å; L63-V80 HydrophobicContact CG-CG2 4.18Å
64I90.1Very high85.8Confident6 Ų671 Ų713%0.03136%0.364CS..Hα-helixtrans-64.3-44.9175.8-68.3169.5000110.7L52 E60 I61 N66 G67 E68 V80L52-I64 HydrophobicContact CD1-CD1 3.51Å; L52-I64 HydrophobicContact CD1-CG2 4.13Å; E60-I64 WeakPolarHBondContact O-CG1 3.46Å; E60-I64 PolarHBondContact O-N 3.09Å; I61-I64 PolarHBondContact O-N 2.93Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 2.76Å; I64-G67 CarbonylContact O-C 3.55Å; I64-G67 WeakPolarHBondContact O-CA 3.32Å; I64-G67 PolarHBondContact O-N 2.95Å; I64-E68 HydrophobicContact CG2-CG 4.42Å; I64-E68 WeakPolarHBondContact O-CG 3.48Å; I64-E68 PolarHBondContact O-N 3.09Å; I64-V80 HydrophobicContact CD1-CG2 4.14Å; I64-V80 HydrophobicContact CG1-CG2 3.86Å
65R88.5Confident86.1Confident133 Ų13367.9 Ų67.950%0.50235%0.345SS..Hα-helixtrans-58.8-43.7175.8-177.1178.1170159.81.7112.3S49 I61 A62 G67 E68 E69S49-R65 VanDerWaalsContact OG-CA 3.31Å; S49-R65 WeakPolarHBondContact OG-CA 3.36Å; S49-R65 WeakPolarHBondContact OG-CB 3.49Å; S49-R65 PolarHBondContact OG-N 3.1Å; I61-R65 WeakPolarHBondContact O-CB 3.33Å; I61-R65 PolarHBondContact O-N 3.34Å; A62-R65 PolarHBondContact O-N 3.43Å; R65-G67 VanDerWaalsContact C-N 3.25Å; R65-G67 PolarHBondContact O-N 3.43Å; R65-E68 WeakPolarHBondContact O-CB 3.44Å; R65-E68 PolarHBondContact O-N 3.04Å; R65-E69 IonicContact CZ-OE1 3.78Å; R65-E69 IonicContact NE-OE1 3.94Å; R65-E69 PolarHBondContact NE-OE1 3.01Å; R65-E69 IonicContact NH2-OE1 3.59Å; R65-E69 WeakPolarHBondContact O-CG 3.2Å; R65-E69 PolarHBondContact O-N 3.44Å
66N88.4Confident86.4Confident78 Ų7863.3 Ų63.342%0.41733%0.329SS..Hα-helixtrans-62.7-34.6174.5-71.1-26.4000111.9A62 L63 I64 R70A62-N66 WeakPolarHBondContact O-CB 3.34Å; A62-N66 PolarHBondContact O-N 3.43Å; A62-N66 PolarHBondContact O-ND2 3.35Å; L63-N66 PolarHBondContact O-N 3.33Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 2.76Å; N66-R70 WeakPolarHBondContact O-CB 3.32Å; N66-R70 VanDerWaalsContact O-CG 3.24Å; N66-R70 WeakPolarHBondContact O-CG 3.29Å; N66-R70 PolarHBondContact O-N 3.02Å
67G88.9Confident86.6Confident6 Ų664.5 Ų64.56%0.06233%0.334CS..Hα-helixtrans-65.7-42.8171.500000113L63 I64 R65 R70 G71 D72L63-G67 PolarHBondContact O-N 3.13Å; I64-G67 CarbonylContact O-C 3.55Å; I64-G67 WeakPolarHBondContact O-CA 3.32Å; I64-G67 PolarHBondContact O-N 2.95Å; R65-G67 VanDerWaalsContact C-N 3.25Å; R65-G67 PolarHBondContact O-N 3.43Å; G67-R70 PolarHBondContact O-N 3.16Å; G67-G71 CarbonylContact O-C 3.59Å; G67-G71 PolarHBondContact O-N 3.29Å; G67-D72 CarbonylContact O-C 3.47Å; G67-D72 PolarHBondContact O-N 2.96Å
68E89.1Confident87.1Confident27 Ų2766.6 Ų66.613%0.12634%0.338CS..Hα-helixtrans-62.9-46.1176.2-71.7176.2164.300112L48 S49 I64 R65 R70 G71 I73L48-E68 VanDerWaalsContact CA-OE1 3.28Å; L48-E68 WeakPolarHBondContact CA-OE1 3.41Å; L48-E68 WeakPolarHBondContact CB-OE1 3.16Å; L48-E68 PolarHBondContact N-OE1 3.02Å; S49-E68 VanDerWaalsContact CB-OE2 3.32Å; S49-E68 WeakPolarHBondContact CB-OE2 3.36Å; S49-E68 PolarHBondContact N-OE1 3.47Å; S49-E68 VanDerWaalsContact N-OE1 3.11Å; S49-E68 VanDerWaalsContact OG-CD 3.24Å; S49-E68 PolarHBondContact OG-OE2 3.42Å; I64-E68 HydrophobicContact CG2-CG 4.42Å; I64-E68 WeakPolarHBondContact O-CG 3.48Å; I64-E68 PolarHBondContact O-N 3.09Å; R65-E68 WeakPolarHBondContact O-CB 3.44Å; R65-E68 PolarHBondContact O-N 3.04Å; E68-R70 VanDerWaalsContact C-N 3.26Å; E68-R70 PolarHBondContact O-N 3.08Å; E68-G71 PolarHBondContact O-N 3.45Å; E68-G71 VanDerWaalsContact O-N 3.13Å; E68-I73 HydrophobicContact CB-CD1 4.48Å; E68-I73 HydrophobicContact CB-CG1 4.31Å; E68-I73 HydrophobicContact CG-CD1 3.78Å; E68-I73 HydrophobicContact CG-CG1 3.71Å
69E88.2Confident87.4Confident129 Ų12965 Ų6560%0.60333%0.332SS*.Hα-helixtrans-64.4-30.6178.3-71.4178.3-170.100112.3R65R65-E69 IonicContact CZ-OE1 3.78Å; R65-E69 IonicContact NE-OE1 3.94Å; R65-E69 PolarHBondContact NE-OE1 3.01Å; R65-E69 IonicContact NH2-OE1 3.59Å; R65-E69 WeakPolarHBondContact O-CG 3.2Å; R65-E69 PolarHBondContact O-N 3.44Å
70R86.5Confident87.9Confident214 Ų21461.3 Ų61.381%0.80831%0.313SS*.Hα-helixtrans-86.1-11.4175.9-69.6175.3-176.9-174.41.8113.9N66 G67 E68 D72N66-R70 WeakPolarHBondContact O-CB 3.32Å; N66-R70 VanDerWaalsContact O-CG 3.24Å; N66-R70 WeakPolarHBondContact O-CG 3.29Å; N66-R70 PolarHBondContact O-N 3.02Å; G67-R70 PolarHBondContact O-N 3.16Å; E68-R70 VanDerWaalsContact C-N 3.26Å; E68-R70 PolarHBondContact O-N 3.08Å; R70-D72 VanDerWaalsContact C-N 3.27Å
71G85.9Confident88Confident66 Ų6664.1 Ų64.168%0.6833%0.332SS*.THydrogen-bonded Turntrans74.412-172.100000114.8G67 E68G67-G71 CarbonylContact O-C 3.59Å; G67-G71 PolarHBondContact O-N 3.29Å; E68-G71 PolarHBondContact O-N 3.45Å; E68-G71 VanDerWaalsContact O-N 3.13Å
72D87.2Confident88Confident83 Ų8369.4 Ų69.444%0.44435%0.354SS..  trans-11459.6179.1-165.7-0.8000111.4G67 R70 A74 E75 A76G67-D72 CarbonylContact O-C 3.47Å; G67-D72 PolarHBondContact O-N 2.96Å; R70-D72 VanDerWaalsContact C-N 3.27Å; D72-A74 PolarHBondContact O-N 3.18Å; D72-E75 VanDerWaalsContact CG-CB 3.46Å; D72-E75 VanDerWaalsContact OD1-CB 3.23Å; D72-E75 WeakPolarHBondContact OD1-CB 3.4Å; D72-E75 PolarHBondContact OD1-N 3.17Å; D72-E75 WeakPolarHBondContact OD2-CB 3.48Å; D72-A76 PolarHBondContact O-N 3.15Å
73I87.8Confident87.9Confident37 Ų3771.7 Ų71.719%0.1936%0.364CS..Hα-helixtrans-64.6-34-179.7-58.6172.3000110.6E68 A76 M77E68-I73 HydrophobicContact CB-CD1 4.48Å; E68-I73 HydrophobicContact CB-CG1 4.31Å; E68-I73 HydrophobicContact CG-CD1 3.78Å; E68-I73 HydrophobicContact CG-CG1 3.71Å; I73-A76 PolarHBondContact O-N 3.33Å; I73-M77 HydrophobicContact CG2-CG 4.12Å; I73-M77 HydrophobicContact CG2-SD 4Å; I73-M77 WeakPolarHBondContact O-CB 3.4Å; I73-M77 WeakPolarHBondContact O-CG 3.45Å; I73-M77 PolarHBondContact O-N 2.51Å
74A87.4Confident87.6Confident31 Ų3170.2 Ų70.226%0.25636%0.362SS..Hα-helixtrans-61.5-48.7-178.200000111.5I2 D72 F78I2-A74 HydrophobicContact CG2-CB 3.8Å; D72-A74 PolarHBondContact O-N 3.18Å; A74-F78 WeakPolarHBondContact O-CB 3.32Å; A74-F78 PolarHBondContact O-N 3.21Å; A74-F78 VanDerWaalsContact O-N 3.13Å
75E88.5Confident87.4Confident77 Ų7775.6 Ų75.636%0.3639%0.385SS..Hα-helixtrans-68.6-41.3177.8-173.457.4-15400111.2D72 M77 F78 Q79D72-E75 VanDerWaalsContact CG-CB 3.46Å; D72-E75 VanDerWaalsContact OD1-CB 3.23Å; D72-E75 WeakPolarHBondContact OD1-CB 3.4Å; D72-E75 PolarHBondContact OD1-N 3.17Å; D72-E75 WeakPolarHBondContact OD2-CB 3.48Å; E75-M77 PolarHBondContact O-N 3.46Å; E75-F78 WeakPolarHBondContact O-CB 3.24Å; E75-F78 PolarHBondContact O-N 3.34Å; E75-F78 VanDerWaalsContact O-N 3.12Å; E75-Q79 HydrophobicContact CG-CG 4.46Å; E75-Q79 WeakPolarHBondContact O-CG 3.26Å; E75-Q79 PolarHBondContact O-N 2.85Å; E75-Q79 PolarHBondContact OE1-NE2 3.02Å
76A89.3Confident87Confident8 Ų870.4 Ų70.47%0.06637%0.373CS..Hα-helixtrans-60.1-46178.400000112.8D72 I73 F78 Q79 V80D72-A76 PolarHBondContact O-N 3.15Å; I73-A76 PolarHBondContact O-N 3.33Å; A76-F78 VanDerWaalsContact C-N 3.31Å; A76-F78 PolarHBondContact O-N 2.95Å; A76-Q79 PolarHBondContact O-N 3.41Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.92Å
77M89.1Confident86.3Confident57 Ų5771.2 Ų71.228%0.28137%0.37SS..Hα-helixtrans-63-37.7174.6-69.6-175.488.600111.9I2 L48 I73 E75 V80 V81I2-M77 HydrophobicContact CD1-CE 4.41Å; I2-M77 HydrophobicContact CD1-SD 3.74Å; L48-M77 HydrophobicContact CD2-CE 4.5Å; I73-M77 HydrophobicContact CG2-CG 4.12Å; I73-M77 HydrophobicContact CG2-SD 4Å; I73-M77 WeakPolarHBondContact O-CB 3.4Å; I73-M77 WeakPolarHBondContact O-CG 3.45Å; I73-M77 PolarHBondContact O-N 2.51Å; E75-M77 PolarHBondContact O-N 3.46Å; M77-V80 PolarHBondContact O-N 3.33Å; M77-V81 WeakPolarHBondContact O-CG2 3.39Å; M77-V81 PolarHBondContact O-N 3.27Å
78F88.6Confident85.8Confident92 Ų9277.7 Ų77.740%0.40440%0.399SS..Hα-helixtrans-65.1-41.5177.8-174.4-102.3000112.1A74 E75 A76 V81 K82A74-F78 WeakPolarHBondContact O-CB 3.32Å; A74-F78 PolarHBondContact O-N 3.21Å; A74-F78 VanDerWaalsContact O-N 3.13Å; E75-F78 WeakPolarHBondContact O-CB 3.24Å; E75-F78 PolarHBondContact O-N 3.34Å; E75-F78 VanDerWaalsContact O-N 3.12Å; A76-F78 VanDerWaalsContact C-N 3.31Å; A76-F78 PolarHBondContact O-N 2.95Å; F78-V81 PolarHBondContact O-N 3.12Å; F78-K82 WeakPolarHBondContact O-CB 3.46Å; F78-K82 PolarHBondContact O-N 2.81Å
79Q87.3Confident85.3Confident69 Ų6981.3 Ų81.332%0.32242%0.415SS..Hα-helixtrans-64.8-39.4175.6-67.2-64.5-17.400112L63 E75 A76 K82 T83L63-Q79 HydrophobicContact CD2-CB 3.85Å; E75-Q79 HydrophobicContact CG-CG 4.46Å; E75-Q79 WeakPolarHBondContact O-CG 3.26Å; E75-Q79 PolarHBondContact O-N 2.85Å; E75-Q79 PolarHBondContact OE1-NE2 3.02Å; A76-Q79 PolarHBondContact O-N 3.41Å; Q79-K82 PolarHBondContact O-N 3.3Å; Q79-T83 WeakPolarHBondContact O-CB 3.46Å; Q79-T83 PolarHBondContact O-N 3.43Å; Q79-T83 PolarHBondContact O-OG1 2.74Å
80V88.3Confident84.6Confident13 Ų1380 Ų808%0.07941%0.41CS..Hα-helixtrans-59-52172166.60000110.9E60 L63 I64 A76 M77 K82 T83 A84E60-V80 HydrophobicContact CB-CG1 3.85Å; E60-V80 HydrophobicContact CB-CG2 3.97Å; E60-V80 HydrophobicContact CG-CG1 3.79Å; E60-V80 HydrophobicContact CG-CG2 4.26Å; E60-V80 VanDerWaalsContact OE2-CG1 3.32Å; E60-V80 WeakPolarHBondContact OE2-CG1 3.45Å; L63-V80 HydrophobicContact CB-CG2 4.11Å; L63-V80 HydrophobicContact CD2-CG2 3.77Å; L63-V80 HydrophobicContact CG-CG2 4.18Å; I64-V80 HydrophobicContact CD1-CG2 4.14Å; I64-V80 HydrophobicContact CG1-CG2 3.86Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.92Å; M77-V80 PolarHBondContact O-N 3.33Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 3.19Å; V80-T83 PolarHBondContact O-N 2.77Å; V80-T83 VanDerWaalsContact O-N 3.16Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.46Å
81V88.7Confident83.8Confident92 Ų9274.1 Ų74.156%0.55839%0.394SS*.Hα-helixtrans-60.2-41.8179.7171.60000111.7M77 F78 T83 A84 K85M77-V81 WeakPolarHBondContact O-CG2 3.39Å; M77-V81 PolarHBondContact O-N 3.27Å; F78-V81 PolarHBondContact O-N 3.12Å; V81-T83 VanDerWaalsContact C-N 3.34Å; V81-T83 PolarHBondContact O-N 3.15Å; V81-A84 PolarHBondContact O-N 2.91Å; V81-K85 VanDerWaalsContact O-CB 3.3Å; V81-K85 WeakPolarHBondContact O-CB 3.27Å; V81-K85 PolarHBondContact O-N 3.12Å
82K87.9Confident83.2Confident134 Ų13474.3 Ų74.358%0.58339%0.385SS*.Hα-helixtrans-62.4-41.9177.5-173-179.7178.9-1750111.6F78 Q79 V80 G86F78-K82 WeakPolarHBondContact O-CB 3.46Å; F78-K82 PolarHBondContact O-N 2.81Å; Q79-K82 PolarHBondContact O-N 3.3Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 3.19Å; K82-G86 PolarHBondContact O-N 3.42Å
83T82.4Confident82.7Confident85 Ų8573.4 Ų73.452%0.52139%0.385SS..Hα-helixtrans-68.6-45.8178.8-55.90000111.3Q79 V80 V81 K85 G86 R87Q79-T83 WeakPolarHBondContact O-CB 3.46Å; Q79-T83 PolarHBondContact O-N 3.43Å; Q79-T83 PolarHBondContact O-OG1 2.74Å; V80-T83 PolarHBondContact O-N 2.77Å; V80-T83 VanDerWaalsContact O-N 3.16Å; V81-T83 VanDerWaalsContact C-N 3.34Å; V81-T83 PolarHBondContact O-N 3.15Å; T83-K85 PolarHBondContact O-N 2.83Å; T83-G86 PolarHBondContact O-N 3.02Å; T83-R87 PolarHBondContact O-N 3.08Å
84A81.4Confident82Confident37 Ų3774.4 Ų74.431%0.30639%0.391SS..Hα-helixtrans-61.8-43.1177.100000112.2V80 V81 R87 Q88V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.46Å; V81-A84 PolarHBondContact O-N 2.91Å; A84-R87 WeakPolarHBondContact O-CB 3.47Å; A84-R87 PolarHBondContact O-N 3.44Å; A84-Q88 PolarHBondContact O-N 3.35Å
85K85.2Confident81.2Confident120 Ų12077 Ų7752%0.52240%0.403SS..Hα-helixtrans-63.6-43.5175.4-174.6174.5176.7178.60111.9V81 T83 R87 Q88 E89V81-K85 VanDerWaalsContact O-CB 3.3Å; V81-K85 WeakPolarHBondContact O-CB 3.27Å; V81-K85 PolarHBondContact O-N 3.12Å; T83-K85 PolarHBondContact O-N 2.83Å; K85-R87 VanDerWaalsContact C-N 3.29Å; K85-R87 PolarHBondContact O-N 3.36Å; K85-Q88 PolarHBondContact O-N 2.97Å; K85-E89 WeakPolarHBondContact CE-OE1 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.41Å; K85-E89 PolarHBondContact O-N 3.44Å
86G80.1Confident80.4Confident23 Ų2377 Ų7724%0.23741%0.412CS..Hα-helixtrans-57.3-42.4174.100000112.3K82 T83 E89 M90K82-G86 PolarHBondContact O-N 3.42Å; T83-G86 PolarHBondContact O-N 3.02Å; G86-E89 PolarHBondContact O-N 3.36Å; G86-M90 WeakPolarHBondContact O-CB 3.37Å; G86-M90 VanDerWaalsContact O-CG 3.23Å; G86-M90 WeakPolarHBondContact O-CG 3.35Å; G86-M90 PolarHBondContact O-N 2.81Å
87R75.5Confident79.7Confident95 Ų9581.3 Ų81.336%0.35844%0.437SS..Hα-helixtrans-63.3-43.5175.5-176.1177.4178.7166.31.2112.3T83 A84 K85 M90 I91 D183T83-R87 PolarHBondContact O-N 3.08Å; A84-R87 WeakPolarHBondContact O-CB 3.47Å; A84-R87 PolarHBondContact O-N 3.44Å; K85-R87 VanDerWaalsContact C-N 3.29Å; K85-R87 PolarHBondContact O-N 3.36Å; R87-M90 PolarHBondContact O-N 3.24Å; R87-I91 HydrophobicContact CG-CD1 4.03Å; R87-I91 WeakPolarHBondContact O-CG1 3.5Å; R87-I91 PolarHBondContact O-N 2.79Å; R87-D183 IonicContact CZ-OD1 3.98Å; R87-D183 IonicContact NH1-OD1 2.71Å; R87-D183 PolarHBondContact NH1-OD1 3.13Å; R87-D183 VanDerWaalsContact NH1-OD1 3.09Å; R87-D183 IonicContact NH2-OD1 2.85Å
88Q76.8Confident78.9Confident143 Ų14380.9 Ų80.967%0.66844%0.439SS*.Hα-helixtrans-63-45177.7-175.4-178.93.100111.7A84 K85 I91 S92A84-Q88 PolarHBondContact O-N 3.35Å; K85-Q88 PolarHBondContact O-N 2.97Å; Q88-I91 PolarHBondContact O-N 2.92Å; Q88-S92 WeakPolarHBondContact O-CB 3.48Å; Q88-S92 PolarHBondContact O-N 3.24Å; Q88-S92 PolarHBondContact O-OG 3.1Å
89E79.6Confident78.3Confident102 Ų10280.9 Ų80.948%0.47744%0.443SS..Hα-helixtrans-60.9-47.2176.5-73.2175.4-175.100110.6K85 G86 I91 S92 S93K85-E89 WeakPolarHBondContact CE-OE1 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.41Å; K85-E89 PolarHBondContact O-N 3.44Å; G86-E89 PolarHBondContact O-N 3.36Å; E89-I91 PolarHBondContact O-N 3.13Å; E89-S92 PolarHBondContact O-N 3.16Å; E89-S92 PolarHBondContact O-OG 3.35Å; E89-S93 PolarHBondContact O-N 2.86Å; E89-S93 PolarHBondContact O-OG 3.37Å
90M72.8Confident77.7Confident101 Ų10185 Ų8550%0.49846%0.457SS..Hα-helixtrans-57.1-48.1176-72.9177.6-165.300112.7G86 R87 S93 L94 L188G86-M90 WeakPolarHBondContact O-CB 3.37Å; G86-M90 VanDerWaalsContact O-CG 3.23Å; G86-M90 WeakPolarHBondContact O-CG 3.35Å; G86-M90 PolarHBondContact O-N 2.81Å; R87-M90 PolarHBondContact O-N 3.24Å; M90-S93 PolarHBondContact O-N 2.98Å; M90-L94 WeakPolarHBondContact O-CB 3.32Å; M90-L94 VanDerWaalsContact O-CG 3.26Å; M90-L94 WeakPolarHBondContact O-CG 3.39Å; M90-L94 PolarHBondContact O-N 3.44Å; M90-L188 HydrophobicContact SD-CD1 4.32Å
91I69.8Low77.3Confident91 Ų9187.2 Ų87.247%0.46747%0.471SS..Hα-helixtrans-64.3-43.1179.4-67.8169.2000110.4R87 Q88 E89 S93 L94 V95R87-I91 HydrophobicContact CG-CD1 4.03Å; R87-I91 WeakPolarHBondContact O-CG1 3.5Å; R87-I91 PolarHBondContact O-N 2.79Å; Q88-I91 PolarHBondContact O-N 2.92Å; E89-I91 PolarHBondContact O-N 3.13Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 2.88Å; I91-L94 PolarHBondContact O-N 3.19Å; I91-V95 HydrophobicContact CG2-CG2 4.29Å; I91-V95 WeakPolarHBondContact O-CG2 3.37Å; I91-V95 PolarHBondContact O-N 3.29Å
92S73.2Confident76.7Confident70 Ų7088 Ų8849%0.4947%0.471SS..Hα-helixtrans-62.6-39.4179.279.50000112.4Q88 E89 S96Q88-S92 WeakPolarHBondContact O-CB 3.48Å; Q88-S92 PolarHBondContact O-N 3.24Å; Q88-S92 PolarHBondContact O-OG 3.1Å; E89-S92 PolarHBondContact O-N 3.16Å; E89-S92 PolarHBondContact O-OG 3.35Å; S92-S96 PolarHBondContact O-N 2.85Å; S92-S96 PolarHBondContact O-OG 3.28Å; S92-S96 VanDerWaalsContact O-OG 3.11Å
93S76.1Confident76.2Confident65 Ų6586.1 Ų86.146%0.45547%0.467SS..Hα-helixtrans-69.3-42.3175-61.40000111.5E89 M90 I91 V95 S96 V97E89-S93 PolarHBondContact O-N 2.86Å; E89-S93 PolarHBondContact O-OG 3.37Å; M90-S93 PolarHBondContact O-N 2.98Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 2.88Å; S93-V95 PolarHBondContact O-N 2.85Å; S93-S96 PolarHBondContact O-N 2.85Å; S93-S96 PolarHBondContact O-OG 3.36Å; S93-V97 VanDerWaalsContact O-CB 3.3Å; S93-V97 WeakPolarHBondContact O-CB 3.35Å; S93-V97 WeakPolarHBondContact O-CG2 3.49Å; S93-V97 PolarHBondContact O-N 3.21Å
94L73.3Confident76.1Confident57 Ų5785.3 Ų85.330%0.29846%0.459SS..Hα-helixtrans-62.8-42.9177.7-75.7171000112.3M90 I91 V97 C98 V191M90-L94 WeakPolarHBondContact O-CB 3.32Å; M90-L94 VanDerWaalsContact O-CG 3.26Å; M90-L94 WeakPolarHBondContact O-CG 3.39Å; M90-L94 PolarHBondContact O-N 3.44Å; I91-L94 PolarHBondContact O-N 3.19Å; L94-V97 PolarHBondContact O-N 2.8Å; L94-C98 VanDerWaalsContact O-CB 3.23Å; L94-C98 WeakPolarHBondContact O-CB 3.39Å; L94-C98 PolarHBondContact O-N 3.46Å; L94-C98 PolarHBondContact O-SG 3.46Å; L94-V191 HydrophobicContact CD2-CG1 4.28Å
95V71.1Confident76Confident86 Ų8688.7 Ų88.752%0.52147%0.471SS..Hα-helixtrans-62.9-49178.6171.60000110.6I91 S93 V97 C98 L99I91-V95 HydrophobicContact CG2-CG2 4.29Å; I91-V95 WeakPolarHBondContact O-CG2 3.37Å; I91-V95 PolarHBondContact O-N 3.29Å; S93-V95 PolarHBondContact O-N 2.85Å; V95-V97 VanDerWaalsContact C-N 3.35Å; V95-V97 PolarHBondContact O-N 3.47Å; V95-C98 PolarHBondContact O-N 3.39Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 PolarHBondContact O-N 3.21Å
96S71.6Confident75.5Confident77 Ų7787 Ų8754%0.53847%0.471SS..Hα-helixtrans-64.8-37.8179.757.90000112.8S92 S93S92-S96 PolarHBondContact O-N 2.85Å; S92-S96 PolarHBondContact O-OG 3.28Å; S92-S96 VanDerWaalsContact O-OG 3.11Å; S93-S96 PolarHBondContact O-N 2.85Å; S93-S96 PolarHBondContact O-OG 3.36Å
97V75Confident75.7Confident99 Ų9990.3 Ų90.360%0.648%0.483SS*.Hα-helixtrans-72.8-38.3178.2172.70000112.4S93 L94 V95 P101S93-V97 VanDerWaalsContact O-CB 3.3Å; S93-V97 WeakPolarHBondContact O-CB 3.35Å; S93-V97 WeakPolarHBondContact O-CG2 3.49Å; S93-V97 PolarHBondContact O-N 3.21Å; L94-V97 PolarHBondContact O-N 2.8Å; V95-V97 VanDerWaalsContact C-N 3.35Å; V95-V97 PolarHBondContact O-N 3.47Å; V97-P101 WeakPolarHBondContact O-CD 3.39Å; V97-P101 WeakPolarHBondContact O-CG 3.38Å
98C72.5Confident75.9Confident47 Ų4789.3 Ų89.332%0.31849%0.49SS..Hα-helixtrans-80-28-179.1-66.70000113L94 V95 Y100 P101 L102L94-C98 VanDerWaalsContact O-CB 3.23Å; L94-C98 WeakPolarHBondContact O-CB 3.39Å; L94-C98 PolarHBondContact O-N 3.46Å; L94-C98 PolarHBondContact O-SG 3.46Å; V95-C98 PolarHBondContact O-N 3.39Å; C98-Y100 PolarHBondContact O-N 2.88Å; C98-P101 WeakPolarHBondContact O-CD 3.14Å; C98-L102 WeakPolarHBondContact O-CB 3.42Å; C98-L102 VanDerWaalsContact O-CG 3.28Å; C98-L102 WeakPolarHBondContact O-CG 3.39Å; C98-L102 PolarHBondContact O-N 2.92Å; C98-L102 VanDerWaalsContact O-N 3.09Å
99L75.3Confident76Confident93 Ų9386.2 Ų86.249%0.48748%0.48SS..Hα-helixtrans-65.5-38.5-176.6-174.7144.9000112V95 L102 I103V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 PolarHBondContact O-N 3.21Å; L99-L102 PolarHBondContact O-N 3.45Å; L99-I103 HydrophobicContact CD2-CD1 3.4Å; L99-I103 HydrophobicContact CD2-CG1 4.35Å; L99-I103 HydrophobicContact CG-CD1 4.14Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.35Å; L99-I103 PolarHBondContact O-N 3.35Å
100Y75Confident75.9Confident156 Ų15685 Ų8561%0.61248%0.48SS*.Hα-helixtrans-64.9-52.6177.9172.6-98.7000113.5C98 L102 I103 L104C98-Y100 PolarHBondContact O-N 2.88Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.8Å; Y100-I103 PolarHBondContact O-N 3.41Å; Y100-L104 HydrophobicContact CD1-CD1 4.15Å; Y100-L104 HydrophobicContact CE1-CD1 3.41Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.41Å; Y100-L104 HydrophobicContact CE1-CG 4.2Å; Y100-L104 HydrophobicContact CE2-CD1 4.05Å; Y100-L104 HydrophobicContact CE2-CD2 4.46Å; Y100-L104 HydrophobicContact CE2-CG 4.13Å; Y100-L104 PolarHBondContact O-N 3.46Å; Y100-L104 WeakPolarHBondContact OH-CD1 3.49Å
101P79.7Confident76.3Confident58 Ų5884.4 Ų84.438%0.37748%0.479SS..Hα-helixtrans-58.2-38.9173.3-25.634.7000113.2V97 C98 L104 L105V97-P101 WeakPolarHBondContact O-CD 3.39Å; V97-P101 WeakPolarHBondContact O-CG 3.38Å; C98-P101 WeakPolarHBondContact O-CD 3.14Å; P101-L104 PolarHBondContact O-N 3.49Å; P101-L105 VanDerWaalsContact O-CB 3.26Å; P101-L105 WeakPolarHBondContact O-CB 3.16Å; P101-L105 WeakPolarHBondContact O-CG 3.4Å; P101-L105 PolarHBondContact O-N 3.3Å
102L76.3Confident76.9Confident108 Ų10882.7 Ų82.757%0.56547%0.469SS*.Hα-helixtrans-64.1-40.8176.4-75.4171.1000112C98 L99 Y100 L105 T106C98-L102 WeakPolarHBondContact O-CB 3.42Å; C98-L102 VanDerWaalsContact O-CG 3.28Å; C98-L102 WeakPolarHBondContact O-CG 3.39Å; C98-L102 PolarHBondContact O-N 2.92Å; C98-L102 VanDerWaalsContact O-N 3.09Å; L99-L102 PolarHBondContact O-N 3.45Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.8Å; L102-L105 PolarHBondContact O-N 3.15Å; L102-T106 WeakPolarHBondContact O-CB 3.38Å; L102-T106 WeakPolarHBondContact O-CG2 3.42Å; L102-T106 PolarHBondContact O-N 3.45Å; L102-T106 PolarHBondContact O-OG1 3Å
103I78Confident77.2Confident95 Ų9585.7 Ų85.749%0.48747%0.471SS..Hα-helixtrans-63.8-44.3174.2-70.9172.7000111.1L99 Y100 T106 L107L99-I103 HydrophobicContact CD2-CD1 3.4Å; L99-I103 HydrophobicContact CD2-CG1 4.35Å; L99-I103 HydrophobicContact CG-CD1 4.14Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.35Å; L99-I103 PolarHBondContact O-N 3.35Å; Y100-I103 PolarHBondContact O-N 3.41Å; I103-T106 WeakPolarHBondContact CA-OG1 3.46Å; I103-T106 PolarHBondContact O-N 3.04Å; I103-T106 PolarHBondContact O-OG1 2.91Å; I103-L107 WeakPolarHBondContact O-CB 3.28Å; I103-L107 PolarHBondContact O-N 3.02Å
104L80.7Confident77.4Confident69 Ų6985 Ų8536%0.36146%0.462SS..Hα-helixtrans-66.2-42.6177.6-73.9-173.3000112.6Y100 P101 L107 C108Y100-L104 HydrophobicContact CD1-CD1 4.15Å; Y100-L104 HydrophobicContact CE1-CD1 3.41Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.41Å; Y100-L104 HydrophobicContact CE1-CG 4.2Å; Y100-L104 HydrophobicContact CE2-CD1 4.05Å; Y100-L104 HydrophobicContact CE2-CD2 4.46Å; Y100-L104 HydrophobicContact CE2-CG 4.13Å; Y100-L104 PolarHBondContact O-N 3.46Å; Y100-L104 WeakPolarHBondContact OH-CD1 3.49Å; P101-L104 PolarHBondContact O-N 3.49Å; L104-L107 PolarHBondContact O-N 3.09Å; L104-C108 WeakPolarHBondContact O-CB 3.45Å; L104-C108 PolarHBondContact O-N 3.3Å; L104-C108 PolarHBondContact O-SG 3.28Å; L104-C108 VanDerWaalsContact O-SG 3.41Å
105L77.5Confident77.8Confident108 Ų10883.6 Ų83.657%0.56546%0.456SS*.Hα-helixtrans-63.3-42.9178-76.4173.2000111P101 L102 C108 V109P101-L105 VanDerWaalsContact O-CB 3.26Å; P101-L105 WeakPolarHBondContact O-CB 3.16Å; P101-L105 WeakPolarHBondContact O-CG 3.4Å; P101-L105 PolarHBondContact O-N 3.3Å; L102-L105 PolarHBondContact O-N 3.15Å; L105-C108 PolarHBondContact O-N 3.45Å; L105-V109 VanDerWaalsContact O-CG2 3.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.39Å; L105-V109 PolarHBondContact O-N 2.87Å
106T76.4Confident78.2Confident85 Ų8582.9 Ų82.952%0.52145%0.447SS..Hα-helixtrans-62.5-43.3174.952.90000111.2L102 I103 C108 V109 V110L102-T106 WeakPolarHBondContact O-CB 3.38Å; L102-T106 WeakPolarHBondContact O-CG2 3.42Å; L102-T106 PolarHBondContact O-N 3.45Å; L102-T106 PolarHBondContact O-OG1 3Å; I103-T106 WeakPolarHBondContact CA-OG1 3.46Å; I103-T106 PolarHBondContact O-N 3.04Å; I103-T106 PolarHBondContact O-OG1 2.91Å; T106-C108 PolarHBondContact O-N 3.45Å; T106-V109 PolarHBondContact O-N 3.16Å; T106-V110 WeakPolarHBondContact O-CB 3.19Å; T106-V110 VanDerWaalsContact O-CG2 3.25Å; T106-V110 WeakPolarHBondContact O-CG2 3.23Å; T106-V110 PolarHBondContact O-N 2.71Å
107L82.6Confident78.7Confident92 Ų9281.9 Ų81.948%0.48244%0.437SS..Hα-helixtrans-59.8-43.5174.1-177.862.7000112.5I103 L104 V110 N111I103-L107 WeakPolarHBondContact O-CB 3.28Å; I103-L107 PolarHBondContact O-N 3.02Å; L104-L107 PolarHBondContact O-N 3.09Å; L107-V110 PolarHBondContact O-N 3.04Å; L107-N111 PolarHBondContact O-N 2.98Å; L107-N111 PolarHBondContact O-ND2 2.98Å
108C81.1Confident79.1Confident73 Ų7385.6 Ų85.649%0.49344%0.44SS..Hα-helixtrans-61.6-45.8175.7-770000112.2L104 L105 T106 N111 M112L104-C108 WeakPolarHBondContact O-CB 3.45Å; L104-C108 PolarHBondContact O-N 3.3Å; L104-C108 PolarHBondContact O-SG 3.28Å; L104-C108 VanDerWaalsContact O-SG 3.41Å; L105-C108 PolarHBondContact O-N 3.45Å; T106-C108 PolarHBondContact O-N 3.45Å; C108-N111 PolarHBondContact O-N 3.41Å; C108-M112 WeakPolarHBondContact O-CG 3.39Å; C108-M112 PolarHBondContact O-N 3.39Å
109V77.7Confident79.5Confident79 Ų7986.1 Ų86.148%0.47944%0.442SS..Hα-helixtrans-63.3-43178171.50000110.8L105 T106 N111 M112 Y113L105-V109 VanDerWaalsContact O-CG2 3.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.39Å; L105-V109 PolarHBondContact O-N 2.87Å; T106-V109 PolarHBondContact O-N 3.16Å; V109-N111 PolarHBondContact O-N 3.48Å; V109-M112 PolarHBondContact O-N 3.49Å; V109-Y113 WeakPolarHBondContact O-CB 3.38Å; V109-Y113 PolarHBondContact O-N 3.02Å
110V78.1Confident79.8Confident77 Ų7783 Ų8347%0.46743%0.426SS..Hα-helixtrans-61.1-43.6175.6170.20000111.3T106 L107 Y113 N114T106-V110 WeakPolarHBondContact O-CB 3.19Å; T106-V110 VanDerWaalsContact O-CG2 3.25Å; T106-V110 WeakPolarHBondContact O-CG2 3.23Å; T106-V110 PolarHBondContact O-N 2.71Å; L107-V110 PolarHBondContact O-N 3.04Å; V110-Y113 WeakPolarHBondContact O-CB 3.35Å; V110-Y113 PolarHBondContact O-N 2.97Å; V110-N114 PolarHBondContact O-N 2.92Å; V110-N114 PolarHBondContact O-ND2 3.32Å
111N81.9Confident80Confident88 Ų8878.5 Ų78.547%0.47142%0.415SS..Hα-helixtrans-64.7-42.7176.9-76.2-27.5000111.8L107 C108 V109 Y113 N114 V115L107-N111 PolarHBondContact O-N 2.98Å; L107-N111 PolarHBondContact O-ND2 2.98Å; C108-N111 PolarHBondContact O-N 3.41Å; V109-N111 PolarHBondContact O-N 3.48Å; N111-Y113 VanDerWaalsContact C-N 3.32Å; N111-Y113 PolarHBondContact O-N 2.95Å; N111-N114 PolarHBondContact O-N 3.21Å; N111-V115 WeakPolarHBondContact O-CG2 3.37Å; N111-V115 PolarHBondContact O-N 3Å
112M81.9Confident80Confident55 Ų5581.9 Ų81.927%0.27143%0.428SS..Hα-helixtrans-63.3-37.8175.6-77.4-174.6149.800112.5C108 V109 V115 H116 S143 V146C108-M112 WeakPolarHBondContact O-CG 3.39Å; C108-M112 PolarHBondContact O-N 3.39Å; V109-M112 PolarHBondContact O-N 3.49Å; M112-V115 PolarHBondContact O-N 3.27Å; M112-H116 PolarHBondContact O-N 3.46Å; M112-H116 VanDerWaalsContact O-N 3.08Å; M112-S143 PolarHBondContact O-OG 3.1Å; M112-V146 HydrophobicContact CB-CG1 4.42Å; M112-V146 HydrophobicContact CE-CG2 4.45Å; M112-V146 HydrophobicContact SD-CB 4.01Å; M112-V146 HydrophobicContact SD-CG1 4.15Å; M112-V146 HydrophobicContact SD-CG2 3.56Å; M112-V146 VanDerWaalsContact SD-CG2 3.56Å
113Y79.9Confident80.1Confident132 Ų13278.7 Ų78.752%0.51841%0.411SS..Hα-helixtrans-61.7-43.6172.6-178.5-98.2000112.3V109 V110 N111 H116 T117 I147V109-Y113 WeakPolarHBondContact O-CB 3.38Å; V109-Y113 PolarHBondContact O-N 3.02Å; V110-Y113 WeakPolarHBondContact O-CB 3.35Å; V110-Y113 PolarHBondContact O-N 2.97Å; N111-Y113 VanDerWaalsContact C-N 3.32Å; N111-Y113 PolarHBondContact O-N 2.95Å; Y113-H116 PolarHBondContact O-N 2.89Å; Y113-T117 HydrophobicContact CD1-CG2 4.46Å; Y113-T117 HydrophobicContact CD2-CG2 4.18Å; Y113-T117 HydrophobicContact CE1-CG2 4.05Å; Y113-T117 HydrophobicContact CE2-CG2 3.75Å; Y113-T117 WeakPolarHBondContact O-CB 3.3Å; Y113-T117 WeakPolarHBondContact O-CG2 3.33Å; Y113-T117 PolarHBondContact O-N 3.43Å; Y113-T117 PolarHBondContact O-OG1 2.84Å; Y113-I147 HydrophobicContact CD2-CD1 4.34Å; Y113-I147 HydrophobicContact CD2-CG1 4.46Å
114N80Confident80Confident50 Ų5076.9 Ų76.927%0.26741%0.407SS..Hα-helixtrans-64.6-40.1175.8-81.7-78.3000112.3V110 N111 H116 R118 V119V110-N114 PolarHBondContact O-N 2.92Å; V110-N114 PolarHBondContact O-ND2 3.32Å; N111-N114 PolarHBondContact O-N 3.21Å; N114-H116 VanDerWaalsContact C-N 3.34Å; N114-H116 PolarHBondContact O-N 3.49Å; N114-R118 WeakPolarHBondContact O-CB 3.47Å; N114-R118 PolarHBondContact O-N 2.89Å; N114-V119 PolarHBondContact O-N 2.83Å
115V80.8Confident80Confident28 Ų2877.3 Ų77.317%0.1742%0.42CS..Iπ-helixtrans-58.9-48.6175.7170.80000110.2N111 M112 V119 I120 L139N111-V115 WeakPolarHBondContact O-CG2 3.37Å; N111-V115 PolarHBondContact O-N 3Å; M112-V115 PolarHBondContact O-N 3.27Å; V115-V119 HydrophobicContact CG1-CB 4.36Å; V115-V119 HydrophobicContact CG2-CG2 4.45Å; V115-V119 WeakPolarHBondContact O-CA 3.48Å; V115-V119 WeakPolarHBondContact O-CB 3.46Å; V115-V119 PolarHBondContact O-N 2.8Å; V115-I120 HydrophobicContact CG1-CG1 4.25Å; V115-I120 WeakPolarHBondContact O-CG1 3.42Å; V115-I120 PolarHBondContact O-N 3.29Å; V115-L139 HydrophobicContact CG1-CD2 3.91Å; V115-L139 HydrophobicContact CG1-CG 4Å; V115-L139 HydrophobicContact CG2-CD2 4.43Å
116H80.2Confident80Confident72 Ų7280.5 Ų80.533%0.33343%0.43SS..Iπ-helixtrans-64.9-46.8-179.4-168.970.3000114.2M112 Y113 N114 I120 P121 S143 I147M112-H116 PolarHBondContact O-N 3.46Å; M112-H116 VanDerWaalsContact O-N 3.08Å; Y113-H116 PolarHBondContact O-N 2.89Å; N114-H116 VanDerWaalsContact C-N 3.34Å; N114-H116 PolarHBondContact O-N 3.49Å; H116-I120 HydrophobicContact CB-CD1 4.45Å; H116-P121 VanDerWaalsContact O-CD 3.23Å; H116-P121 WeakPolarHBondContact O-CD 3.36Å; H116-S143 WeakPolarHBondContact CB-OG 3.36Å; H116-S143 PolarHBondContact N-OG 3.34Å; H116-I147 HydrophobicContact CB-CD1 3.02Å
117T81.7Confident79.9Confident55 Ų5577.6 Ų77.634%0.33741%0.414SS..Iπ-helixtrans-85.9-23.4-17055.30000113.4Y113 P121Y113-T117 HydrophobicContact CD1-CG2 4.46Å; Y113-T117 HydrophobicContact CD2-CG2 4.18Å; Y113-T117 HydrophobicContact CE1-CG2 4.05Å; Y113-T117 HydrophobicContact CE2-CG2 3.75Å; Y113-T117 WeakPolarHBondContact O-CB 3.3Å; Y113-T117 WeakPolarHBondContact O-CG2 3.33Å; Y113-T117 PolarHBondContact O-N 3.43Å; Y113-T117 PolarHBondContact O-OG1 2.84Å; T117-P121 VanDerWaalsContact O-CG 3.26Å; T117-P121 WeakPolarHBondContact O-CG 3.48Å
118R83Confident79.4Confident177 Ų17776.4 Ų76.467%0.66841%0.412SS*.Iπ-helixtrans-118.7-46.6-177-57.9-173.5177.9-166.40.5113.1N114 M122N114-R118 WeakPolarHBondContact O-CB 3.47Å; N114-R118 PolarHBondContact O-N 2.89Å; R118-M122 VanDerWaalsContact O-CB 3.28Å; R118-M122 WeakPolarHBondContact O-CB 3.46Å; R118-M122 PolarHBondContact O-N 2.81Å
119V82.4Confident78.8Confident58 Ų5879.5 Ų79.535%0.35242%0.419SS..Iπ-helixtrans-78.8-49.2-170.9-1770000111.8N114 V115 M122 I123N114-V119 PolarHBondContact O-N 2.83Å; V115-V119 HydrophobicContact CG1-CB 4.36Å; V115-V119 HydrophobicContact CG2-CG2 4.45Å; V115-V119 WeakPolarHBondContact O-CA 3.48Å; V115-V119 WeakPolarHBondContact O-CB 3.46Å; V115-V119 PolarHBondContact O-N 2.8Å; V119-M122 PolarHBondContact O-N 3.46Å; V119-I123 HydrophobicContact CG1-CD1 3.72Å; V119-I123 HydrophobicContact CG1-CG1 4.46Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 3.4Å
120I80.4Confident78.4Confident29 Ų2984.7 Ų84.715%0.14944%0.438CS..Hα-helixtrans-55.2-52.8177.6-66.5-179.6000111.6V115 H116 M122 I123 S124 W132 A140V115-I120 HydrophobicContact CG1-CG1 4.25Å; V115-I120 WeakPolarHBondContact O-CG1 3.42Å; V115-I120 PolarHBondContact O-N 3.29Å; H116-I120 HydrophobicContact CB-CD1 4.45Å; I120-M122 VanDerWaalsContact C-N 3.28Å; I120-M122 PolarHBondContact O-N 3.01Å; I120-I123 PolarHBondContact O-N 2.84Å; I120-S124 PolarHBondContact O-N 3.33Å; I120-S124 PolarHBondContact O-OG 2.94Å; I120-W132 HydrophobicContact CB-CH2 4.43Å; I120-W132 HydrophobicContact CG2-CH2 3.72Å; I120-W132 HydrophobicContact CG2-CZ3 4.26Å; I120-A140 HydrophobicContact CD1-CB 3.65Å; I120-A140 HydrophobicContact CG1-CB 4.17Å
121P80.4Confident77.9Confident60 Ų6090 Ų9039%0.3945%0.45SS..Hα-helixtrans-65.1-32.3-179.722.1-32.1000113H116 T117 S124 A125H116-P121 VanDerWaalsContact O-CD 3.23Å; H116-P121 WeakPolarHBondContact O-CD 3.36Å; T117-P121 VanDerWaalsContact O-CG 3.26Å; T117-P121 WeakPolarHBondContact O-CG 3.48Å; P121-S124 VanDerWaalsContact CA-OG 3.29Å; P121-S124 WeakPolarHBondContact CA-OG 3.46Å; P121-S124 PolarHBondContact O-OG 3.41Å; P121-S124 VanDerWaalsContact O-OG 3.04Å; P121-A125 PolarHBondContact O-N 3.46Å
122M79.9Confident77.3Confident130 Ų13087 Ų8764%0.6443%0.432SS*.Hα-helixtrans-64.8-40.6175.8-173.5177.3-174.200111.3R118 V119 I120 F126R118-M122 VanDerWaalsContact O-CB 3.28Å; R118-M122 WeakPolarHBondContact O-CB 3.46Å; R118-M122 PolarHBondContact O-N 2.81Å; V119-M122 PolarHBondContact O-N 3.46Å; I120-M122 VanDerWaalsContact C-N 3.28Å; I120-M122 PolarHBondContact O-N 3.01Å; M122-F126 HydrophobicContact CG-CE2 4.43Å; M122-F126 WeakPolarHBondContact O-CD2 3.34Å; M122-F126 WeakPolarHBondContact O-CE2 3.31Å
123I78.2Confident76.7Confident41 Ų4187 Ų8721%0.2144%0.437CS..Hα-helixtrans-75.3-41179.5-61.1164.4000111V119 I120 A125 F126 A127 W132 M136V119-I123 HydrophobicContact CG1-CD1 3.72Å; V119-I123 HydrophobicContact CG1-CG1 4.46Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 3.4Å; I120-I123 PolarHBondContact O-N 2.84Å; I123-A125 PolarHBondContact O-N 3.14Å; I123-F126 PolarHBondContact O-N 2.92Å; I123-A127 PolarHBondContact O-N 2.95Å; I123-W132 HydrophobicContact CB-CZ2 4.02Å; I123-W132 HydrophobicContact CG2-CD2 4.19Å; I123-W132 HydrophobicContact CG2-CG 4.47Å; I123-W132 HydrophobicContact CG2-CZ2 3.83Å; I123-M136 HydrophobicContact CD1-CE 3.34Å; I123-M136 HydrophobicContact CD1-SD 3.82Å
124S75.5Confident75.9Confident57 Ų5782.6 Ų82.640%0.39942%0.424SS..Hα-helixtrans-62.8-25.3-179.957.40000112.6I120 P121 F126 A127I120-S124 PolarHBondContact O-N 3.33Å; I120-S124 PolarHBondContact O-OG 2.94Å; P121-S124 VanDerWaalsContact CA-OG 3.29Å; P121-S124 WeakPolarHBondContact CA-OG 3.46Å; P121-S124 PolarHBondContact O-OG 3.41Å; P121-S124 VanDerWaalsContact O-OG 3.04Å; S124-F126 VanDerWaalsContact C-N 3.28Å; S124-F126 PolarHBondContact O-N 3.23Å; S124-A127 WeakPolarHBondContact CA-O 3.45Å
125A80.3Confident75.2Confident77 Ų7786.4 Ų86.464%0.63644%0.44SS*.THydrogen-bonded Turntrans-66.5-28174.400000113.2P121 I123P121-A125 PolarHBondContact O-N 3.46Å; I123-A125 PolarHBondContact O-N 3.14Å
126F78.1Confident74.8Confident176 Ų17688.4 Ų88.477%0.77245%0.449SS*.THydrogen-bonded Turntrans-105.4-27.8-177.1-62.4-69.9000113.8M122 I123 S124M122-F126 HydrophobicContact CG-CE2 4.43Å; M122-F126 WeakPolarHBondContact O-CD2 3.34Å; M122-F126 WeakPolarHBondContact O-CE2 3.31Å; I123-F126 PolarHBondContact O-N 2.92Å; S124-F126 VanDerWaalsContact C-N 3.28Å; S124-F126 PolarHBondContact O-N 3.23Å
127A73.4Confident74.4Confident24 Ų2487.2 Ų87.220%0.19845%0.446CS..SBendtrans-140127.3-17900000110.4I123 S124 R131 W132I123-A127 PolarHBondContact O-N 2.95Å; S124-A127 WeakPolarHBondContact CA-O 3.45Å; A127-R131 HydrophobicContact CB-CB 4.41Å; A127-W132 PolarHBondContact O-NE1 3.43Å
128P73.3Confident73.8Confident67 Ų6787.1 Ų87.144%0.43544%0.443SS..  trans-60.1150.2169.726.6-33.4000110E130 R131 W132P128-E130 PolarHBondContact O-N 2.95Å; P128-R131 HydrophobicContact CG-CG 4.26Å; P128-R131 PolarHBondContact O-N 2.88Å; P128-W132 VanDerWaalsContact O-CD1 3.31Å
129E68.5Low73.4Confident137 Ų13781.9 Ų81.964%0.6443%0.428SS*.G310 helixtrans-52.2-30.3-173.6-65.5-174.7178.200113.5R131 W132E129-R131 PolarHBondContact O-N 3.34Å; E129-W132 HydrophobicContact CG-CH2 4.34Å; E129-W132 HydrophobicContact CG-CZ2 4.22Å; E129-W132 WeakPolarHBondContact O-CB 3.23Å; E129-W132 PolarHBondContact O-N 3.31Å; E129-W132 VanDerWaalsContact O-N 3.07Å
130E68.5Low73.1Confident188 Ų18880 Ų8088%0.87942%0.419SS*.G310 helixtrans-60.6-25177.2-61.2173.8-177.600114P128P128-E130 PolarHBondContact O-N 2.95Å
131R68.5Low72.9Confident189 Ų18986 Ų8671%0.71344%0.443SS*.G310 helixtrans-95.1-1.8179.2-65.2-173.4-177.6179.20.8112.9A127 P128 E129A127-R131 HydrophobicContact CB-CB 4.41Å; P128-R131 HydrophobicContact CG-CG 4.26Å; P128-R131 PolarHBondContact O-N 2.88Å; E129-R131 PolarHBondContact O-N 3.34Å
132W68.1Low72.4Confident25 Ų2584.4 Ų84.410%0.09543%0.434CS..SBendtrans-70.4146.1-176.8-69.914.3000110.5I120 I123 A127 P128 E129 V134 M136 V137 A140I120-W132 HydrophobicContact CB-CH2 4.43Å; I120-W132 HydrophobicContact CG2-CH2 3.72Å; I120-W132 HydrophobicContact CG2-CZ3 4.26Å; I123-W132 HydrophobicContact CB-CZ2 4.02Å; I123-W132 HydrophobicContact CG2-CD2 4.19Å; I123-W132 HydrophobicContact CG2-CG 4.47Å; I123-W132 HydrophobicContact CG2-CZ2 3.83Å; A127-W132 PolarHBondContact O-NE1 3.43Å; P128-W132 VanDerWaalsContact O-CD1 3.31Å; E129-W132 HydrophobicContact CG-CH2 4.34Å; E129-W132 HydrophobicContact CG-CZ2 4.22Å; E129-W132 WeakPolarHBondContact O-CB 3.23Å; E129-W132 PolarHBondContact O-N 3.31Å; E129-W132 VanDerWaalsContact O-N 3.07Å; W132-V134 PolarHBondContact O-N 2.88Å; W132-M136 HydrophobicContact CB-CB 4.32Å; W132-M136 HydrophobicContact CE3-CB 4.32Å; W132-V137 HydrophobicContact CB-CG2 3.82Å; W132-A140 HydrophobicContact CZ3-CB 3.96Å
133S69.3Low72.2Confident55 Ų5578.2 Ų78.239%0.38540%0.403SS..  trans-60.3142.9167.8700000108.6Q135 M136 V137S133-Q135 PolarHBondContact O-N 3.4Å; S133-Q135 VanDerWaalsContact O-N 3.11Å; S133-M136 WeakPolarHBondContact O-CA 3.42Å; S133-M136 WeakPolarHBondContact O-CB 3.19Å; S133-M136 PolarHBondContact O-N 3.38Å; S133-M136 WeakPolarHBondContact OG-CG 3.39Å; S133-M136 PolarHBondContact OG-N 3.15Å; S133-V137 PolarHBondContact O-N 2.8Å; S133-V137 VanDerWaalsContact O-N 3.07Å
134V63.9Low72Confident40 Ų4077.4 Ų77.424%0.24241%0.406CS..Hα-helixtrans-59.2-30.5-178.9178.60000110.9W132 M136 V137 I138 Q219W132-V134 PolarHBondContact O-N 2.88Å; V134-M136 VanDerWaalsContact C-N 3.32Å; V134-M136 PolarHBondContact O-N 2.93Å; V134-V137 PolarHBondContact O-N 3.24Å; V134-V137 VanDerWaalsContact O-N 3.17Å; V134-I138 HydrophobicContact CG1-CD1 3.87Å; V134-I138 HydrophobicContact CG1-CG1 4.22Å; V134-I138 VanDerWaalsContact O-CG1 3.25Å; V134-I138 WeakPolarHBondContact O-CG1 3.4Å; V134-I138 PolarHBondContact O-N 3.18Å; V134-Q219 HydrophobicContact CB-CG 4.11Å; V134-Q219 HydrophobicContact CG1-CG 4.28Å
135Q66Low71.8Confident130 Ų13078.1 Ų78.161%0.60740%0.404SS*.Hα-helixtrans-56.8-44.4172.1-62.5160.49.400111.9S133 L139S133-Q135 PolarHBondContact O-N 3.4Å; S133-Q135 VanDerWaalsContact O-N 3.11Å; Q135-L139 WeakPolarHBondContact O-CB 3.04Å; Q135-L139 PolarHBondContact O-N 3.48Å
136M71.9Confident71.4Confident70 Ų7076.4 Ų76.435%0.34539%0.386SS..Hα-helixtrans-67.9-38.9175.3-74.3-67.8-153.800111.8I123 W132 S133 V134 L139 A140I123-M136 HydrophobicContact CD1-CE 3.34Å; I123-M136 HydrophobicContact CD1-SD 3.82Å; W132-M136 HydrophobicContact CB-CB 4.32Å; W132-M136 HydrophobicContact CE3-CB 4.32Å; S133-M136 WeakPolarHBondContact O-CA 3.42Å; S133-M136 WeakPolarHBondContact O-CB 3.19Å; S133-M136 PolarHBondContact O-N 3.38Å; S133-M136 WeakPolarHBondContact OG-CG 3.39Å; S133-M136 PolarHBondContact OG-N 3.15Å; V134-M136 VanDerWaalsContact C-N 3.32Å; V134-M136 PolarHBondContact O-N 2.93Å; M136-L139 PolarHBondContact O-N 2.92Å; M136-A140 WeakPolarHBondContact O-CB 3.26Å; M136-A140 PolarHBondContact O-N 3.27Å
137V70.5Confident71.1Confident46 Ų4670.7 Ų70.728%0.27936%0.363SS..Hα-helixtrans-64.5-43.6177.3179.10000111.3W132 S133 V134 A140 K141W132-V137 HydrophobicContact CB-CG2 3.82Å; S133-V137 PolarHBondContact O-N 2.8Å; S133-V137 VanDerWaalsContact O-N 3.07Å; V134-V137 PolarHBondContact O-N 3.24Å; V134-V137 VanDerWaalsContact O-N 3.17Å; V137-A140 PolarHBondContact O-N 3.42Å; V137-K141 HydrophobicContact CG1-CD 4.37Å; V137-K141 HydrophobicContact CG1-CG 4.47Å; V137-K141 WeakPolarHBondContact O-CB 3.23Å; V137-K141 WeakPolarHBondContact O-CG 3.33Å; V137-K141 PolarHBondContact O-N 3.11Å
138I69.4Low71Confident53 Ų5371.8 Ų71.827%0.27238%0.377SS..Hα-helixtrans-62.6-45.9176.1-66.5167.2000110.1V134 A140 K141 S142 T212V134-I138 HydrophobicContact CG1-CD1 3.87Å; V134-I138 HydrophobicContact CG1-CG1 4.22Å; V134-I138 VanDerWaalsContact O-CG1 3.25Å; V134-I138 WeakPolarHBondContact O-CG1 3.4Å; V134-I138 PolarHBondContact O-N 3.18Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 PolarHBondContact O-N 3.48Å; I138-K141 PolarHBondContact O-N 3.21Å; I138-S142 WeakPolarHBondContact O-CB 3.39Å; I138-S142 PolarHBondContact O-N 2.94Å; I138-S142 PolarHBondContact O-OG 3.29Å; I138-S142 VanDerWaalsContact O-OG 3.13Å; I138-T212 HydrophobicContact CB-CG2 4.33Å; I138-T212 HydrophobicContact CD1-CG2 3.44Å; I138-T212 VanDerWaalsContact CD1-CG2 3.44Å; I138-T212 HydrophobicContact CG1-CG2 3.5Å; I138-T212 VanDerWaalsContact CG1-CG2 3.5Å; I138-T212 HydrophobicContact CG2-CG2 3.88Å
139L75.7Confident71Confident68 Ų6875.8 Ų75.836%0.35638%0.384SS..Hα-helixtrans-60.5-45.1177.2-173.667.7000110.9V115 Q135 M136 S142 S143V115-L139 HydrophobicContact CG1-CD2 3.91Å; V115-L139 HydrophobicContact CG1-CG 4Å; V115-L139 HydrophobicContact CG2-CD2 4.43Å; Q135-L139 WeakPolarHBondContact O-CB 3.04Å; Q135-L139 PolarHBondContact O-N 3.48Å; M136-L139 PolarHBondContact O-N 2.92Å; L139-S142 PolarHBondContact O-N 2.86Å; L139-S142 PolarHBondContact O-OG 3.45Å; L139-S143 WeakPolarHBondContact O-CB 3.48Å; L139-S143 PolarHBondContact O-N 2.84Å
140A76.1Confident71.1Confident18 Ų1869.9 Ų69.915%0.14936%0.361CS..Hα-helixtrans-62.5-45.3178.300000112.4I120 W132 M136 V137 I138 G144I120-A140 HydrophobicContact CD1-CB 3.65Å; I120-A140 HydrophobicContact CG1-CB 4.17Å; W132-A140 HydrophobicContact CZ3-CB 3.96Å; M136-A140 WeakPolarHBondContact O-CB 3.26Å; M136-A140 PolarHBondContact O-N 3.27Å; V137-A140 PolarHBondContact O-N 3.42Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 PolarHBondContact O-N 3.48Å; A140-G144 PolarHBondContact O-N 3.38Å
141K75.3Confident71.3Confident154 Ų15467.6 Ų67.667%0.6735%0.353SS*.Hα-helixtrans-65.5-43.9176.6-73.7-170.1177.9-167.10112.5V137 I138 G144 L145V137-K141 HydrophobicContact CG1-CD 4.37Å; V137-K141 HydrophobicContact CG1-CG 4.47Å; V137-K141 WeakPolarHBondContact O-CB 3.23Å; V137-K141 WeakPolarHBondContact O-CG 3.33Å; V137-K141 PolarHBondContact O-N 3.11Å; I138-K141 PolarHBondContact O-N 3.21Å; K141-G144 PolarHBondContact O-N 3.05Å; K141-L145 PolarHBondContact O-N 2.88Å
142S70.7Confident71.5Confident27 Ų2767.9 Ų67.919%0.18936%0.355CS..Hα-helixtrans-64.3-41.717867.80000111.9I138 L139 L145 V146I138-S142 WeakPolarHBondContact O-CB 3.39Å; I138-S142 PolarHBondContact O-N 2.94Å; I138-S142 PolarHBondContact O-OG 3.29Å; I138-S142 VanDerWaalsContact O-OG 3.13Å; L139-S142 PolarHBondContact O-N 2.86Å; L139-S142 PolarHBondContact O-OG 3.45Å; S142-L145 PolarHBondContact O-N 3.29Å; S142-V146 WeakPolarHBondContact O-CG2 3.44Å; S142-V146 PolarHBondContact O-N 3.5Å
143S75.6Confident71.6Confident0 Ų070.2 Ų70.20%037%0.369CS..Hα-helixtrans-64-42.7174.9176.10000111.5M112 H116 L139 L145 V146 I147M112-S143 PolarHBondContact O-OG 3.1Å; H116-S143 WeakPolarHBondContact CB-OG 3.36Å; H116-S143 PolarHBondContact N-OG 3.34Å; L139-S143 WeakPolarHBondContact O-CB 3.48Å; L139-S143 PolarHBondContact O-N 2.84Å; S143-L145 VanDerWaalsContact C-N 3.31Å; S143-L145 PolarHBondContact O-N 2.81Å; S143-V146 PolarHBondContact O-N 3.27Å; S143-I147 WeakPolarHBondContact O-CG1 3.06Å; S143-I147 PolarHBondContact O-N 3.19Å
144G74.1Confident71.8Confident25 Ų2572.8 Ų72.826%0.25838%0.377SS..Hα-helixtrans-62.1-35.5173.600000113.2A140 K141 I147 G148A140-G144 PolarHBondContact O-N 3.38Å; K141-G144 PolarHBondContact O-N 3.05Å; G144-I147 PolarHBondContact O-N 3.14Å; G144-G148 WeakPolarHBondContact O-CA 3.37Å; G144-G148 PolarHBondContact O-N 3.47Å
145L70.9Confident72.4Confident71 Ų7173.2 Ų73.237%0.37239%0.385SS..Hα-helixtrans-67.5-43.3174.7-175.3143.1000111.8K141 S142 S143 I147 Y149 G150 L153K141-L145 PolarHBondContact O-N 2.88Å; S142-L145 PolarHBondContact O-N 3.29Å; S143-L145 VanDerWaalsContact C-N 3.31Å; S143-L145 PolarHBondContact O-N 2.81Å; L145-I147 VanDerWaalsContact C-N 3.28Å; L145-I147 PolarHBondContact O-N 3.44Å; L145-Y149 HydrophobicContact CG-CD2 4.13Å; L145-Y149 WeakPolarHBondContact O-CA 3.49Å; L145-Y149 WeakPolarHBondContact O-CB 3.49Å; L145-Y149 PolarHBondContact O-N 2.88Å; L145-G150 PolarHBondContact O-N 3.41Å; L145-L153 HydrophobicContact CD2-CD1 4.14Å
146V72.5Confident73Confident42 Ų4268.8 Ų68.826%0.25538%0.375SS..Hα-helixtrans-66.1-31.2178.6171.40000112M112 S142 S143 G150M112-V146 HydrophobicContact CB-CG1 4.42Å; M112-V146 HydrophobicContact CE-CG2 4.45Å; M112-V146 HydrophobicContact SD-CB 4.01Å; M112-V146 HydrophobicContact SD-CG1 4.15Å; M112-V146 HydrophobicContact SD-CG2 3.56Å; M112-V146 VanDerWaalsContact SD-CG2 3.56Å; S142-V146 WeakPolarHBondContact O-CG2 3.44Å; S142-V146 PolarHBondContact O-N 3.5Å; S143-V146 PolarHBondContact O-N 3.27Å; V146-G150 WeakPolarHBondContact O-CA 3.28Å; V146-G150 PolarHBondContact O-N 2.93Å; V146-G150 VanDerWaalsContact O-N 3.1Å
147I70.2Confident73.2Confident55 Ų5568.6 Ų68.628%0.28238%0.375SS..Hα-helixtrans-90.9-40.9-179-65161.4000111.7Y113 H116 S143 G144 L145Y113-I147 HydrophobicContact CD2-CD1 4.34Å; Y113-I147 HydrophobicContact CD2-CG1 4.46Å; H116-I147 HydrophobicContact CB-CD1 3.02Å; S143-I147 WeakPolarHBondContact O-CG1 3.06Å; S143-I147 PolarHBondContact O-N 3.19Å; G144-I147 PolarHBondContact O-N 3.14Å; L145-I147 VanDerWaalsContact C-N 3.28Å; L145-I147 PolarHBondContact O-N 3.44Å
148G72.4Confident73.5Confident48 Ų4871.6 Ų71.650%0.49539%0.389SS..Hα-helixtrans-73.9-43.5179.100000113G144G144-G148 WeakPolarHBondContact O-CA 3.37Å; G144-G148 PolarHBondContact O-N 3.47Å
149Y72.6Confident74Confident150 Ų15074 Ų7459%0.58840%0.402SS*.THydrogen-bonded Turntrans-108.7-6.1-177.2-59.1-79000113.9L145 L151 W152 L153L145-Y149 HydrophobicContact CG-CD2 4.13Å; L145-Y149 WeakPolarHBondContact O-CA 3.49Å; L145-Y149 WeakPolarHBondContact O-CB 3.49Å; L145-Y149 PolarHBondContact O-N 2.88Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 3.22Å; Y149-W152 CarbonylContact O-C 3.45Å; Y149-W152 WeakPolarHBondContact O-CA 3.36Å; Y149-W152 WeakPolarHBondContact O-CB 3.16Å; Y149-W152 PolarHBondContact O-N 3.34Å; Y149-L153 WeakPolarHBondContact O-CG 3.4Å; Y149-L153 PolarHBondContact O-N 3.47Å
150G71Confident73.9Confident14 Ų1473.7 Ų73.714%0.14440%0.4CS..Hα-helixtrans-59.7-39.1-175.300000114.2L145 V146 W152 L153 L154L145-G150 PolarHBondContact O-N 3.41Å; V146-G150 WeakPolarHBondContact O-CA 3.28Å; V146-G150 PolarHBondContact O-N 2.93Å; V146-G150 VanDerWaalsContact O-N 3.1Å; G150-W152 VanDerWaalsContact C-N 3.34Å; G150-L153 PolarHBondContact O-N 3.09Å; G150-L154 WeakPolarHBondContact O-CB 2.89Å; G150-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 PolarHBondContact O-N 3.45Å
151L71.6Confident73.8Confident139 Ų13973.9 Ų73.973%0.72840%0.402SS*.Hα-helixtrans-64.8-38.9174.2-71.7175.1000111.9Y149 L154 A155Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 3.22Å; L151-L154 PolarHBondContact O-N 2.95Å; L151-A155 WeakPolarHBondContact O-CB 3.28Å; L151-A155 PolarHBondContact O-N 3.45Å
152W73.1Confident73.8Confident196 Ų19671 Ų7174%0.74239%0.393SS*.Hα-helixtrans-68.4-36.7175.4-66.6107.2000112.2Y149 G150 G156Y149-W152 CarbonylContact O-C 3.45Å; Y149-W152 WeakPolarHBondContact O-CA 3.36Å; Y149-W152 WeakPolarHBondContact O-CB 3.16Å; Y149-W152 PolarHBondContact O-N 3.34Å; G150-W152 VanDerWaalsContact C-N 3.34Å; W152-G156 PolarHBondContact O-N 2.95Å
153L71.7Confident74.2Confident73 Ų7374.3 Ų74.338%0.38241%0.407SS..Hα-helixtrans-65.9-44.5173.8-71.8174.3000111.4L145 Y149 G150 G156 L157L145-L153 HydrophobicContact CD2-CD1 4.14Å; Y149-L153 WeakPolarHBondContact O-CG 3.4Å; Y149-L153 PolarHBondContact O-N 3.47Å; G150-L153 PolarHBondContact O-N 3.09Å; L153-G156 PolarHBondContact O-N 3.26Å; L153-L157 WeakPolarHBondContact O-CB 3.22Å; L153-L157 PolarHBondContact O-N 2.8Å
154L73.2Confident74.1Confident109 Ų10975.4 Ų75.457%0.57141%0.413SS*.Hα-helixtrans-64.7-44.5174.9-78172.5000111.7G150 L151 G156 L157 L158G150-L154 WeakPolarHBondContact O-CB 2.89Å; G150-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 PolarHBondContact O-N 3.45Å; L151-L154 PolarHBondContact O-N 2.95Å; L154-G156 VanDerWaalsContact C-N 3.34Å; L154-G156 PolarHBondContact O-N 3.42Å; L154-L157 PolarHBondContact O-N 3.5Å; L154-L158 WeakPolarHBondContact O-CB 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.44Å; L154-L158 PolarHBondContact O-N 3.45Å
155A76.5Confident73.9Confident49 Ų4980 Ų8041%0.40542%0.423SS..Hα-helixtrans-62.9-41.3176.400000111.4L151 L158 L159L151-A155 WeakPolarHBondContact O-CB 3.28Å; L151-A155 PolarHBondContact O-N 3.45Å; A155-L158 PolarHBondContact O-N 3.02Å; A155-L159 WeakPolarHBondContact O-CB 3.49Å; A155-L159 PolarHBondContact O-N 2.93Å
156G77.9Confident74.1Confident38 Ų3881.6 Ų81.639%0.39243%0.43SS..Hα-helixtrans-62.9-42.7174.300000112.4W152 L153 L154 L160W152-G156 PolarHBondContact O-N 2.95Å; L153-G156 PolarHBondContact O-N 3.26Å; L154-G156 VanDerWaalsContact C-N 3.34Å; L154-G156 PolarHBondContact O-N 3.42Å; G156-L160 WeakPolarHBondContact O-CB 3.3Å; G156-L160 PolarHBondContact O-N 3.32Å
157L75.4Confident74Confident66 Ų6682.6 Ų82.635%0.34644%0.438SS..Hα-helixtrans-66.9-41.5177.1-166153000111.6L153 L154 L160 A161 A198L153-L157 WeakPolarHBondContact O-CB 3.22Å; L153-L157 PolarHBondContact O-N 2.8Å; L154-L157 PolarHBondContact O-N 3.5Å; L157-L160 PolarHBondContact O-N 2.86Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.05Å; L157-A198 HydrophobicContact CD1-CB 4.39Å
158L77.2Confident73.8Confident108 Ų10883.8 Ų83.857%0.56544%0.441SS*.Hα-helixtrans-67-46.3175.1-74.3175.7000112.1L154 A155 L160 A161 I162L154-L158 WeakPolarHBondContact O-CB 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.44Å; L154-L158 PolarHBondContact O-N 3.45Å; A155-L158 PolarHBondContact O-N 3.02Å; L158-L160 VanDerWaalsContact C-N 3.25Å; L158-L160 PolarHBondContact O-N 3.4Å; L158-A161 PolarHBondContact O-N 3.06Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.43Å; L158-I162 PolarHBondContact O-N 3.26Å
159L80.3Confident73.4Confident105 Ų10584.2 Ų84.255%0.5544%0.437SS..Hα-helixtrans-59.1-42.4175.8-178.3146.8000110.1A155 I162 L163A155-L159 WeakPolarHBondContact O-CB 3.49Å; A155-L159 PolarHBondContact O-N 2.93Å; L159-I162 CarbonylContact O-C 3.56Å; L159-I162 WeakPolarHBondContact O-CB 3.41Å; L159-I162 PolarHBondContact O-N 3.49Å; L159-L163 HydrophobicContact CD2-CD1 3.54Å; L159-L163 HydrophobicContact CD2-CG 4.01Å; L159-L163 WeakPolarHBondContact O-CG 3.27Å; L159-L163 PolarHBondContact O-N 3.2Å
160L73Confident72.9Confident61 Ų6182.9 Ų82.932%0.31944%0.439SS..Hα-helixtrans-69-38.8177.8-170.6143.4000112.1G156 L157 L158 I162 L163 I164 V197G156-L160 WeakPolarHBondContact O-CB 3.3Å; G156-L160 PolarHBondContact O-N 3.32Å; L157-L160 PolarHBondContact O-N 2.86Å; L158-L160 VanDerWaalsContact C-N 3.25Å; L158-L160 PolarHBondContact O-N 3.4Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 2.92Å; L160-L163 PolarHBondContact O-N 2.96Å; L160-I164 HydrophobicContact CD2-CD1 3.52Å; L160-I164 HydrophobicContact CD2-CG1 4.09Å; L160-I164 WeakPolarHBondContact O-CG1 3.1Å; L160-I164 PolarHBondContact O-N 3.45Å; L160-V197 HydrophobicContact CD1-CG1 3.8Å; L160-V197 HydrophobicContact CD2-CB 3.64Å; L160-V197 HydrophobicContact CD2-CG1 3.25Å; L160-V197 HydrophobicContact CD2-CG2 3.9Å; L160-V197 HydrophobicContact CG-CG1 4.16Å
161A73.5Confident72.3Confident22 Ų2292.2 Ų92.218%0.18247%0.472CS..Hα-helixtrans-61.5-39.4171.800000111.8L157 L158 I164 R165 V194L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.05Å; L158-A161 PolarHBondContact O-N 3.06Å; A161-I164 PolarHBondContact O-N 2.79Å; A161-R165 WeakPolarHBondContact O-CB 3.44Å; A161-R165 PolarHBondContact O-N 2.98Å; A161-V194 HydrophobicContact CB-CG2 3.99Å
162I77.1Confident71.6Confident94 Ų9488.5 Ų88.548%0.48246%0.455SS..Hα-helixtrans-65.1-41.7172.9-67163000110.7L158 L159 L160 R165 M166L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.43Å; L158-I162 PolarHBondContact O-N 3.26Å; L159-I162 CarbonylContact O-C 3.56Å; L159-I162 WeakPolarHBondContact O-CB 3.41Å; L159-I162 PolarHBondContact O-N 3.49Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 2.92Å; I162-R165 WeakPolarHBondContact O-CB 3.22Å; I162-R165 PolarHBondContact O-N 2.92Å; I162-M166 HydrophobicContact CG2-CG 4.33Å; I162-M166 HydrophobicContact CG2-SD 4.16Å; I162-M166 WeakPolarHBondContact O-CB 3.48Å; I162-M166 WeakPolarHBondContact O-CG 3.48Å; I162-M166 PolarHBondContact O-N 3.29Å
163L79.1Confident70.6Confident95 Ų9584.3 Ų84.350%0.49744%0.444SS..Hα-helixtrans-66.1-39.3176.4-73.4-179.7000112L159 L160 M166 S167L159-L163 HydrophobicContact CD2-CD1 3.54Å; L159-L163 HydrophobicContact CD2-CG 4.01Å; L159-L163 WeakPolarHBondContact O-CG 3.27Å; L159-L163 PolarHBondContact O-N 3.2Å; L160-L163 PolarHBondContact O-N 2.96Å; L163-M166 PolarHBondContact O-N 3.49Å; L163-S167 VanDerWaalsContact O-CB 3.25Å; L163-S167 WeakPolarHBondContact O-CB 3.5Å; L163-S167 PolarHBondContact O-N 2.92Å; L163-S167 PolarHBondContact O-OG 3.37Å
164I71.8Confident69.4Low23 Ų2388 Ų8812%0.11846%0.459CS..Hα-helixtrans-60.1-51.9172.3-69.5170.3000108.7L160 A161 M166 S167 F168 V194 V197L160-I164 HydrophobicContact CD2-CD1 3.52Å; L160-I164 HydrophobicContact CD2-CG1 4.09Å; L160-I164 WeakPolarHBondContact O-CG1 3.1Å; L160-I164 PolarHBondContact O-N 3.45Å; A161-I164 PolarHBondContact O-N 2.79Å; I164-M166 VanDerWaalsContact C-N 3.33Å; I164-M166 PolarHBondContact O-N 3.33Å; I164-S167 WeakPolarHBondContact CA-OG 3.31Å; I164-S167 PolarHBondContact O-N 2.88Å; I164-S167 VanDerWaalsContact O-N 3.13Å; I164-S167 PolarHBondContact O-OG 3.47Å; I164-F168 HydrophobicContact CG2-CD2 3.84Å; I164-F168 HydrophobicContact CG2-CE2 4.05Å; I164-F168 WeakPolarHBondContact O-CD2 3.32Å; I164-F168 PolarHBondContact O-N 3.31Å; I164-V194 HydrophobicContact CD1-CG2 4.31Å; I164-V197 HydrophobicContact CD1-CG2 3.97Å
165R70.7Confident68.1Low122 Ų12290 Ų9046%0.4647%0.47SS..Hα-helixtrans-54.8-47.5177179.8170.4-176.974.94.9112.3A161 I162 F168 S169 E190A161-R165 WeakPolarHBondContact O-CB 3.44Å; A161-R165 PolarHBondContact O-N 2.98Å; I162-R165 WeakPolarHBondContact O-CB 3.22Å; I162-R165 PolarHBondContact O-N 2.92Å; R165-F168 PolarHBondContact O-N 3.45Å; R165-S169 WeakPolarHBondContact O-CB 3.44Å; R165-S169 PolarHBondContact O-N 3.24Å; R165-E190 WeakPolarHBondContact CB-OE1 3.45Å; R165-E190 WeakPolarHBondContact CD-OE1 3.25Å; R165-E190 WeakPolarHBondContact CG-OE1 3.48Å; R165-E190 IonicContact CZ-OE1 3.8Å; R165-E190 IonicContact NH1-OE1 3.93Å; R165-E190 PolarHBondContact NH1-OE1 3.43Å; R165-E190 IonicContact NH1-OE2 3.17Å; R165-E190 PolarHBondContact NH1-OE2 2.92Å
166M74.4Confident67Low105 Ų10592 Ų9252%0.51747%0.473SS..Hα-helixtrans-64.2-42.9177.4-79.7-174.3152.700111.3I162 L163 I164 F168 S169 L170I162-M166 HydrophobicContact CG2-CG 4.33Å; I162-M166 HydrophobicContact CG2-SD 4.16Å; I162-M166 WeakPolarHBondContact O-CB 3.48Å; I162-M166 WeakPolarHBondContact O-CG 3.48Å; I162-M166 PolarHBondContact O-N 3.29Å; L163-M166 PolarHBondContact O-N 3.49Å; I164-M166 VanDerWaalsContact C-N 3.33Å; I164-M166 PolarHBondContact O-N 3.33Å; M166-F168 VanDerWaalsContact C-N 3.33Å; M166-F168 PolarHBondContact O-N 2.82Å; M166-S169 WeakPolarHBondContact O-CB 3.08Å; M166-S169 PolarHBondContact O-N 2.67Å; M166-L170 HydrophobicContact CB-CD1 4.37Å; M166-L170 VanDerWaalsContact O-CB 3.31Å; M166-L170 WeakPolarHBondContact O-CB 3.37Å; M166-L170 WeakPolarHBondContact O-CD1 3.39Å; M166-L170 PolarHBondContact O-N 3.14Å
167S71.9Confident65.4Low63 Ų6399.7 Ų99.744%0.44149%0.49SS..Hα-helixtrans-62.1-41178.573.20000111.8L163 I164 L170 Y171L163-S167 VanDerWaalsContact O-CB 3.25Å; L163-S167 WeakPolarHBondContact O-CB 3.5Å; L163-S167 PolarHBondContact O-N 2.92Å; L163-S167 PolarHBondContact O-OG 3.37Å; I164-S167 WeakPolarHBondContact CA-OG 3.31Å; I164-S167 PolarHBondContact O-N 2.88Å; I164-S167 VanDerWaalsContact O-N 3.13Å; I164-S167 PolarHBondContact O-OG 3.47Å; S167-L170 PolarHBondContact O-N 3.3Å; S167-Y171 VanDerWaalsContact O-CB 3.29Å; S167-Y171 WeakPolarHBondContact O-CB 3.44Å; S167-Y171 PolarHBondContact O-N 3.27Å
168F64.5Low64.3Low79 Ų79105.3 Ų105.335%0.34651%0.514SS..Hα-helixtrans-69.2-38.3174.8-88.3-78000112.2I164 R165 M166 T172 L189I164-F168 HydrophobicContact CG2-CD2 3.84Å; I164-F168 HydrophobicContact CG2-CE2 4.05Å; I164-F168 WeakPolarHBondContact O-CD2 3.32Å; I164-F168 PolarHBondContact O-N 3.31Å; R165-F168 PolarHBondContact O-N 3.45Å; M166-F168 VanDerWaalsContact C-N 3.33Å; M166-F168 PolarHBondContact O-N 2.82Å; F168-T172 WeakPolarHBondContact O-CB 3.12Å; F168-T172 PolarHBondContact O-N 3.3Å; F168-T172 VanDerWaalsContact O-N 3.14Å; F168-T172 PolarHBondContact O-OG1 2.87Å; F168-L189 HydrophobicContact CD1-CD2 4.36Å; F168-L189 HydrophobicContact CE1-CD2 3.32Å; F168-L189 HydrophobicContact CE2-CD2 3.94Å; F168-L189 HydrophobicContact CZ-CD2 3.07Å
169S64.5Low63.1Low57 Ų57105.4 Ų105.440%0.39952%0.515SS..Hα-helixtrans-60.1-50.8172.9-166.60000110.8R165 M166 T172 E173R165-S169 WeakPolarHBondContact O-CB 3.44Å; R165-S169 PolarHBondContact O-N 3.24Å; M166-S169 WeakPolarHBondContact O-CB 3.08Å; M166-S169 PolarHBondContact O-N 2.67Å; S169-T172 PolarHBondContact O-N 3.03Å; S169-E173 WeakPolarHBondContact O-CB 3.35Å; S169-E173 PolarHBondContact O-N 3.43Å; S169-E173 VanDerWaalsContact O-N 3.13Å
170L62.1Low61.7Low122 Ų122104.1 Ų104.164%0.63951%0.506SS*.Hα-helixtrans-68.1-34.7-177.7-89.7136.6000113.2M166 S167M166-L170 HydrophobicContact CB-CD1 4.37Å; M166-L170 VanDerWaalsContact O-CB 3.31Å; M166-L170 WeakPolarHBondContact O-CB 3.37Å; M166-L170 WeakPolarHBondContact O-CD1 3.39Å; M166-L170 PolarHBondContact O-N 3.14Å; S167-L170 PolarHBondContact O-N 3.3Å
171Y57.9Low60.6Low210 Ų210107 Ų10782%0.82452%0.522SS*.Hα-helixtrans-77.7-28179.5-151.1-93.8000112.7S167S167-Y171 VanDerWaalsContact O-CB 3.29Å; S167-Y171 WeakPolarHBondContact O-CB 3.44Å; S167-Y171 PolarHBondContact O-N 3.27Å
172T57.6Low59.6Low62 Ų62111.3 Ų111.338%0.3854%0.541SS..Hα-helixtrans-81.1-31.3177.7-47.40000111.6F168 S169 H174 Q180F168-T172 WeakPolarHBondContact O-CB 3.12Å; F168-T172 PolarHBondContact O-N 3.3Å; F168-T172 VanDerWaalsContact O-N 3.14Å; F168-T172 PolarHBondContact O-OG1 2.87Å; S169-T172 PolarHBondContact O-N 3.03Å; T172-H174 VanDerWaalsContact C-N 3.33Å; T172-H174 PolarHBondContact O-N 2.88Å; T172-Q180 VanDerWaalsContact CG2-CD 3.44Å; T172-Q180 HydrophobicContact CG2-CG 4.39Å; T172-Q180 VanDerWaalsContact CG2-NE2 3.29Å; T172-Q180 PolarHBondContact O-OE1 3.23Å
173E51.4Low58.5Low108 Ų108110 Ų11051%0.50554%0.536SS..THydrogen-bonded Turntrans-70.8-17.8-175.6-111.3177.8145.700115.5S169 N175S169-E173 WeakPolarHBondContact O-CB 3.35Å; S169-E173 PolarHBondContact O-N 3.43Å; S169-E173 VanDerWaalsContact O-N 3.13Å; E173-N175 PolarHBondContact O-N 3.4Å
174H48.2Very low57.2Low151 Ų151114.1 Ų114.170%0.69955%0.55SS*.THydrogen-bonded Turntrans-78.5-15.6-174.6-159.570.1000114.1T172T172-H174 VanDerWaalsContact C-N 3.33Å; T172-H174 PolarHBondContact O-N 2.88Å
175N46Very low56.4Low151 Ų151114.1 Ų114.181%0.80756%0.555SS**THydrogen-bonded Turntrans-129.6-2-175.3-134.117.5000116.7E173E173-N175 PolarHBondContact O-N 3.4Å
176I51.6Low55.8Low90 Ų90114.2 Ų114.246%0.46256%0.562SS.*  trans-140.766.8176.9-46.1-177000111.1H178 L179I176-H178 PolarHBondContact O-N 2.87Å; I176-L179 HydrophobicContact CG2-CB 3.8Å; I176-L179 HydrophobicContact CG2-CD1 3.77Å; I176-L179 HydrophobicContact CG2-CG 4.1Å
177R44.7Very low55.5Low199 Ų199112.8 Ų112.875%0.75156%0.559SS**THydrogen-bonded Turntrans-670.2-176.4-74.6-177.9172.2179.2-2.9116.4
178H52.2Low55.1Low185 Ų185114.3 Ų114.386%0.85656%0.562SS**THydrogen-bonded Turntrans-122.7-0.8-174.9-73.6-61.1000115.9I176I176-H178 PolarHBondContact O-N 2.87Å
179L52.1Low55.1Low110 Ų110115.4 Ų115.458%0.57657%0.571SS**THydrogen-bonded Turntrans-119.7-15.1-177.9-67.9165.2000114.6I176 N181I176-L179 HydrophobicContact CG2-CB 3.8Å; I176-L179 HydrophobicContact CG2-CD1 3.77Å; I176-L179 HydrophobicContact CG2-CG 4.1Å; L179-N181 PolarHBondContact O-N 2.9Å
180Q52.2Low55.1Low77 Ų77113.3 Ų113.336%0.3656%0.555SS.*  trans-88.7103.7175.3-83.9179.1-66.800110.9T172T172-Q180 VanDerWaalsContact CG2-CD 3.44Å; T172-Q180 HydrophobicContact CG2-CG 4.39Å; T172-Q180 VanDerWaalsContact CG2-NE2 3.29Å; T172-Q180 PolarHBondContact O-OE1 3.23Å
181N49.3Very low55.4Low122 Ų122108.7 Ų108.765%0.65253%0.532SS*.SBendtrans-165.6114.8149.1-92.9-30.9000109.7K58 L179K58-N181 VanDerWaalsContact CD-O 3.28Å; K58-N181 WeakPolarHBondContact CD-O 3.25Å; K58-N181 VanDerWaalsContact CE-O 3.25Å; K58-N181 WeakPolarHBondContact CE-O 3.49Å; K58-N181 PolarHBondContact NZ-O 3.41Å; L179-N181 PolarHBondContact O-N 2.9Å
182D51.9Low56Low112 Ų112103.4 Ų103.460%0.59952%0.517SS*.  trans101.318.7170.7-74.7-39.8000121.4K184D182-K184 VanDerWaalsContact C-N 3.28Å; D182-K184 PolarHBondContact O-N 2.87Å; D182-K184 VanDerWaalsContact OD1-CE 3.3Å; D182-K184 WeakPolarHBondContact OD1-CE 3.49Å; D182-K184 IonicContact OD1-NZ 3.98Å
183D54.7Low56.6Low68 Ų68101.4 Ų101.436%0.36451%0.51SS..  trans-79.381.1156.6-86.3-61.2000111.2R87 G185R87-D183 IonicContact CZ-OD1 3.98Å; R87-D183 IonicContact NH1-OD1 2.71Å; R87-D183 PolarHBondContact NH1-OD1 3.13Å; R87-D183 VanDerWaalsContact NH1-OD1 3.09Å; R87-D183 IonicContact NH2-OD1 2.85Å; D183-G185 PolarHBondContact O-N 3.41Å
184K51.9Low57.6Low181 Ų18198 Ų9879%0.78750%0.496SS*.  trans-72.127173-68.8179.7-178.3165.10113.6D182D182-K184 VanDerWaalsContact C-N 3.28Å; D182-K184 PolarHBondContact O-N 2.87Å; D182-K184 VanDerWaalsContact OD1-CE 3.3Å; D182-K184 WeakPolarHBondContact OD1-CE 3.49Å; D182-K184 IonicContact OD1-NZ 3.98Å
185G55.2Low58.7Low23 Ų2395.4 Ų95.424%0.23749%0.487CS..SBendtrans-101.5134.2169.300000110.2D183 T187D183-G185 PolarHBondContact O-N 3.41Å; G185-T187 PolarHBondContact O-N 2.86Å
186M57Low60Low123 Ų12392.2 Ų92.261%0.60647%0.473SS*.PPolyproline II helixtrans-56.4126.3164.4-84-174.5-78.100107.9E190 V191M186-E190 WeakPolarHBondContact CA-OE2 3.42Å; M186-E190 HydrophobicContact CG-CG 4.34Å; M186-V191 HydrophobicContact CB-CG2 3.86Å; M186-V191 HydrophobicContact SD-CG2 4.24Å
187T68Low60.9Low75 Ų7589.6 Ų89.646%0.4646%0.46SS..PPolyproline II helixtrans-62.7146174630000108.5G185 L189 E190 V191G185-T187 PolarHBondContact O-N 2.86Å; T187-L189 PolarHBondContact O-N 2.96Å; T187-E190 PolarHBondContact N-OE2 3.47Å; T187-E190 WeakPolarHBondContact O-CA 3.46Å; T187-E190 WeakPolarHBondContact O-CB 3.4Å; T187-E190 PolarHBondContact O-N 2.82Å; T187-E190 WeakPolarHBondContact OG1-CB 3.33Å; T187-E190 PolarHBondContact OG1-N 3.27Å; T187-V191 PolarHBondContact O-N 3.08Å; T187-V191 VanDerWaalsContact O-N 3.16Å
188L64.2Low62.1Low95 Ų9581.2 Ų81.250%0.49743%0.434SS..Hα-helixtrans-50.2-35.1177.9-173.479.9000111.4M90 V191 L192M90-L188 HydrophobicContact SD-CD1 4.32Å; L188-V191 PolarHBondContact O-N 3.36Å; L188-L192 WeakPolarHBondContact O-CG 3.5Å; L188-L192 PolarHBondContact O-N 3.34Å
189L65Low62.9Low102 Ų10275.4 Ų75.453%0.53442%0.418SS..Hα-helixtrans-72.5-33.8179.5-160.6145.6000112.9F168 T187 L192 G193F168-L189 HydrophobicContact CD1-CD2 4.36Å; F168-L189 HydrophobicContact CE1-CD2 3.32Å; F168-L189 HydrophobicContact CE2-CD2 3.94Å; F168-L189 HydrophobicContact CZ-CD2 3.07Å; T187-L189 PolarHBondContact O-N 2.96Å; L189-L192 PolarHBondContact O-N 2.92Å; L189-G193 PolarHBondContact O-N 2.91Å
190E64.2Low64Low13 Ų1375.1 Ų75.16%0.06142%0.416CS..Hα-helixtrans-64.3-42.2171.4-171.4179.8178.400111R165 M186 T187 G193 V194R165-E190 WeakPolarHBondContact CB-OE1 3.45Å; R165-E190 WeakPolarHBondContact CD-OE1 3.25Å; R165-E190 WeakPolarHBondContact CG-OE1 3.48Å; R165-E190 IonicContact CZ-OE1 3.8Å; R165-E190 IonicContact NH1-OE1 3.93Å; R165-E190 PolarHBondContact NH1-OE1 3.43Å; R165-E190 IonicContact NH1-OE2 3.17Å; R165-E190 PolarHBondContact NH1-OE2 2.92Å; M186-E190 WeakPolarHBondContact CA-OE2 3.42Å; M186-E190 HydrophobicContact CG-CG 4.34Å; T187-E190 PolarHBondContact N-OE2 3.47Å; T187-E190 WeakPolarHBondContact O-CA 3.46Å; T187-E190 WeakPolarHBondContact O-CB 3.4Å; T187-E190 PolarHBondContact O-N 2.82Å; T187-E190 WeakPolarHBondContact OG1-CB 3.33Å; T187-E190 PolarHBondContact OG1-N 3.27Å; E190-G193 PolarHBondContact O-N 3.3Å; E190-V194 WeakPolarHBondContact O-CG2 3.38Å; E190-V194 PolarHBondContact O-N 2.75Å
191V68Low64.7Low26 Ų2674 Ų7416%0.15841%0.414CS..Hα-helixtrans-63.2-46.2175.3179.80000111.1L94 M186 T187 L188 G193 V194 L195L94-V191 HydrophobicContact CD2-CG1 4.28Å; M186-V191 HydrophobicContact CB-CG2 3.86Å; M186-V191 HydrophobicContact SD-CG2 4.24Å; T187-V191 PolarHBondContact O-N 3.08Å; T187-V191 VanDerWaalsContact O-N 3.16Å; L188-V191 PolarHBondContact O-N 3.36Å; V191-G193 VanDerWaalsContact C-N 3.32Å; V191-G193 PolarHBondContact O-N 2.97Å; V191-V194 PolarHBondContact O-N 2.99Å; V191-L195 HydrophobicContact CG1-CD1 4.34Å; V191-L195 WeakPolarHBondContact O-CG 3.29Å; V191-L195 PolarHBondContact O-N 3.44Å
192L69.8Low65.6Low98 Ų9872.9 Ų72.951%0.51341%0.407SS..Hα-helixtrans-61.7-40.5175.8-72.6172.4000111.9L188 L189 L195 V196L188-L192 WeakPolarHBondContact O-CG 3.5Å; L188-L192 PolarHBondContact O-N 3.34Å; L189-L192 PolarHBondContact O-N 2.92Å; L192-L195 PolarHBondContact O-N 3.21Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.37Å
193G71.5Confident66.3Low21 Ų2169.3 Ų69.322%0.21640%0.397CS..Hα-helixtrans-59.3-47.3175.800000112.5L189 E190 V191 L195 V196 V197L189-G193 PolarHBondContact O-N 2.91Å; E190-G193 PolarHBondContact O-N 3.3Å; V191-G193 VanDerWaalsContact C-N 3.32Å; V191-G193 PolarHBondContact O-N 2.97Å; G193-L195 PolarHBondContact O-N 3.36Å; G193-V196 PolarHBondContact O-N 2.99Å; G193-V197 WeakPolarHBondContact O-CG2 3.34Å; G193-V197 PolarHBondContact O-N 2.92Å; G193-V197 VanDerWaalsContact O-N 3.09Å
194V71.7Confident66.8Low37 Ų3768.9 Ų68.922%0.22440%0.403CS..Hα-helixtrans-63.1-40.9177.2174.60000111.4A161 I164 E190 V191 V197 A198A161-V194 HydrophobicContact CB-CG2 3.99Å; I164-V194 HydrophobicContact CD1-CG2 4.31Å; E190-V194 WeakPolarHBondContact O-CG2 3.38Å; E190-V194 PolarHBondContact O-N 2.75Å; V191-V194 PolarHBondContact O-N 2.99Å; V194-V197 PolarHBondContact O-N 3.05Å; V194-A198 WeakPolarHBondContact O-CB 3.26Å; V194-A198 PolarHBondContact O-N 3.35Å
195L70.5Confident67.3Low95 Ų9563 Ų6350%0.49738%0.382SS..Hα-helixtrans-65.1-43.4177.6-71.7176.8000112.8V191 L192 G193 V197 A198 A199V191-L195 HydrophobicContact CG1-CD1 4.34Å; V191-L195 WeakPolarHBondContact O-CG 3.29Å; V191-L195 PolarHBondContact O-N 3.44Å; L192-L195 PolarHBondContact O-N 3.21Å; G193-L195 PolarHBondContact O-N 3.36Å; L195-V197 VanDerWaalsContact C-N 3.31Å; L195-V197 PolarHBondContact O-N 2.87Å; L195-A198 PolarHBondContact O-N 3.48Å; L195-A199 PolarHBondContact O-N 2.99Å
196V74Confident67.7Low85 Ų8568.1 Ų68.152%0.51540%0.401SS..Hα-helixtrans-60.8-43.9176.6169.10000110.3L192 G193 A199 I200L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.37Å; G193-V196 PolarHBondContact O-N 2.99Å; V196-A199 WeakPolarHBondContact O-CB 3.23Å; V196-A199 PolarHBondContact O-N 3.01Å; V196-I200 HydrophobicContact CG1-CD1 3.92Å; V196-I200 HydrophobicContact CG1-CG1 4.48Å; V196-I200 WeakPolarHBondContact O-CG1 3.25Å; V196-I200 PolarHBondContact O-N 3.4Å
197V70.7Confident67.8Low34 Ų3464.1 Ų64.121%0.20639%0.392CS..Hα-helixtrans-71.1-37.6179.5-175.70000111.9L160 I164 G193 V194 L195 A199 I200 V201L160-V197 HydrophobicContact CD1-CG1 3.8Å; L160-V197 HydrophobicContact CD2-CB 3.64Å; L160-V197 HydrophobicContact CD2-CG1 3.25Å; L160-V197 HydrophobicContact CD2-CG2 3.9Å; L160-V197 HydrophobicContact CG-CG1 4.16Å; I164-V197 HydrophobicContact CD1-CG2 3.97Å; G193-V197 WeakPolarHBondContact O-CG2 3.34Å; G193-V197 PolarHBondContact O-N 2.92Å; G193-V197 VanDerWaalsContact O-N 3.09Å; V194-V197 PolarHBondContact O-N 3.05Å; L195-V197 VanDerWaalsContact C-N 3.31Å; L195-V197 PolarHBondContact O-N 2.87Å; V197-A199 PolarHBondContact O-N 2.98Å; V197-I200 PolarHBondContact O-N 3.07Å; V197-I200 VanDerWaalsContact O-N 3.14Å; V197-V201 HydrophobicContact CG1-CG2 4.09Å; V197-V201 VanDerWaalsContact O-CG2 3.31Å; V197-V201 WeakPolarHBondContact O-CG2 3.44Å; V197-V201 PolarHBondContact O-N 3.17Å
198A69.2Low67.2Low23 Ų2367.4 Ų67.419%0.1941%0.406CS..Hα-helixtrans-55.7-42.9170.700000111.2L157 V194 L195 V201 I202L157-A198 HydrophobicContact CD1-CB 4.39Å; V194-A198 WeakPolarHBondContact O-CB 3.26Å; V194-A198 PolarHBondContact O-N 3.35Å; L195-A198 PolarHBondContact O-N 3.48Å; A198-V201 PolarHBondContact O-N 3.46Å; A198-I202 WeakPolarHBondContact O-CD1 3.33Å; A198-I202 WeakPolarHBondContact O-CG1 3.43Å; A198-I202 PolarHBondContact O-N 2.83Å
199A70.6Confident66.8Low63 Ų6367.2 Ų67.252%0.52140%0.403SS..Hα-helixtrans-64.8-40.7175.500000113L195 V196 V197 I202 G203L195-A199 PolarHBondContact O-N 2.99Å; V196-A199 WeakPolarHBondContact O-CB 3.23Å; V196-A199 PolarHBondContact O-N 3.01Å; V197-A199 PolarHBondContact O-N 2.98Å; A199-I202 PolarHBondContact O-N 3.18Å; A199-G203 PolarHBondContact O-N 3.34Å
200I74.8Confident66.1Low105 Ų10565.6 Ų65.654%0.53840%0.401SS..Hα-helixtrans-63.7-44175.6-67.2167.2000110.7V196 V197 G203 A204V196-I200 HydrophobicContact CG1-CD1 3.92Å; V196-I200 HydrophobicContact CG1-CG1 4.48Å; V196-I200 WeakPolarHBondContact O-CG1 3.25Å; V196-I200 PolarHBondContact O-N 3.4Å; V197-I200 PolarHBondContact O-N 3.07Å; V197-I200 VanDerWaalsContact O-N 3.14Å; I200-G203 CarbonylContact O-C 3.57Å; I200-G203 PolarHBondContact O-N 2.79Å; I200-A204 WeakPolarHBondContact O-CB 3.33Å; I200-A204 PolarHBondContact O-N 2.99Å
201V67.8Low65.4Low52 Ų5271 Ų7132%0.31543%0.43SS..Hα-helixtrans-62.8-44.5177.91730000110.3V197 A198 G203 A204 V205V197-V201 HydrophobicContact CG1-CG2 4.09Å; V197-V201 VanDerWaalsContact O-CG2 3.31Å; V197-V201 WeakPolarHBondContact O-CG2 3.44Å; V197-V201 PolarHBondContact O-N 3.17Å; A198-V201 PolarHBondContact O-N 3.46Å; V201-G203 VanDerWaalsContact C-N 3.31Å; V201-G203 PolarHBondContact O-N 3.36Å; V201-A204 PolarHBondContact O-N 3.07Å; V201-V205 VanDerWaalsContact O-CG2 3.28Å; V201-V205 WeakPolarHBondContact O-CG2 3.47Å; V201-V205 PolarHBondContact O-N 3.25Å
202I68.1Low64.6Low99 Ų9971.9 Ų71.951%0.50844%0.436SS..Hα-helixtrans-58.9-44.7173.7-67.5163.4000110.5A198 A199 A204 V205 M206A198-I202 WeakPolarHBondContact O-CD1 3.33Å; A198-I202 WeakPolarHBondContact O-CG1 3.43Å; A198-I202 PolarHBondContact O-N 2.83Å; A199-I202 PolarHBondContact O-N 3.18Å; I202-A204 PolarHBondContact O-N 3.2Å; I202-V205 PolarHBondContact O-N 3.04Å; I202-M206 HydrophobicContact CG2-CE 4.01Å; I202-M206 HydrophobicContact CG2-SD 4.39Å; I202-M206 WeakPolarHBondContact O-CG 3.33Å; I202-M206 PolarHBondContact O-N 3.19Å
203G65.9Low63.7Low38 Ų3873.1 Ų73.139%0.39244%0.442SS..Hα-helixtrans-62.2-40.7176.800000113.3A199 I200 V201 M206 G207A199-G203 PolarHBondContact O-N 3.34Å; I200-G203 CarbonylContact O-C 3.57Å; I200-G203 PolarHBondContact O-N 2.79Å; V201-G203 VanDerWaalsContact C-N 3.31Å; V201-G203 PolarHBondContact O-N 3.36Å; G203-M206 WeakPolarHBondContact O-CB 3.21Å; G203-M206 PolarHBondContact O-N 3.01Å; G203-G207 PolarHBondContact O-N 2.86Å
204A65.5Low62.8Low59 Ų5974 Ų7449%0.48845%0.445SS..Hα-helixtrans-65.7-42.2176.200000111.7I200 V201 I202 M206 G207 L208I200-A204 WeakPolarHBondContact O-CB 3.33Å; I200-A204 PolarHBondContact O-N 2.99Å; V201-A204 PolarHBondContact O-N 3.07Å; I202-A204 PolarHBondContact O-N 3.2Å; A204-M206 VanDerWaalsContact C-N 3.32Å; A204-M206 PolarHBondContact O-N 2.81Å; A204-G207 PolarHBondContact O-N 3.46Å; A204-G207 VanDerWaalsContact O-N 3.14Å; A204-L208 PolarHBondContact O-N 3.25Å
205V62.6Low62.3Low56 Ų5673.8 Ų73.834%0.33945%0.445SS..Hα-helixtrans-62.4-39.6174174.50000110.8V201 I202 L208 M209V201-V205 VanDerWaalsContact O-CG2 3.28Å; V201-V205 WeakPolarHBondContact O-CG2 3.47Å; V201-V205 PolarHBondContact O-N 3.25Å; I202-V205 PolarHBondContact O-N 3.04Å; V205-L208 PolarHBondContact O-N 3.23Å; V205-M209 PolarHBondContact O-N 2.95Å
206M62Low62.3Low131 Ų13171.8 Ų71.865%0.64544%0.439SS*.Hα-helixtrans-65.5-36172.8-72.1-178.7172.200112.7I202 G203 A204 L208 M209 S210I202-M206 HydrophobicContact CG2-CE 4.01Å; I202-M206 HydrophobicContact CG2-SD 4.39Å; I202-M206 WeakPolarHBondContact O-CG 3.33Å; I202-M206 PolarHBondContact O-N 3.19Å; G203-M206 WeakPolarHBondContact O-CB 3.21Å; G203-M206 PolarHBondContact O-N 3.01Å; A204-M206 VanDerWaalsContact C-N 3.32Å; A204-M206 PolarHBondContact O-N 2.81Å; M206-L208 VanDerWaalsContact C-N 3.35Å; M206-M209 CarbonylContact O-C 3.51Å; M206-M209 WeakPolarHBondContact O-CA 3.36Å; M206-M209 VanDerWaalsContact O-CB 3.32Å; M206-M209 WeakPolarHBondContact O-CB 3.46Å; M206-M209 PolarHBondContact O-N 3.04Å; M206-S210 PolarHBondContact O-N 3.09Å
207G59.1Low62.5Low40 Ų4070.5 Ų70.541%0.41243%0.429SS..Hα-helixtrans-61.3-41.9174.400000112.4G203 A204 M209 S210G203-G207 PolarHBondContact O-N 2.86Å; A204-G207 PolarHBondContact O-N 3.46Å; A204-G207 VanDerWaalsContact O-N 3.14Å; G207-M209 PolarHBondContact O-N 3.34Å; G207-S210 VanDerWaalsContact O-CB 3.31Å; G207-S210 WeakPolarHBondContact O-CB 3.48Å; G207-S210 PolarHBondContact O-N 3.32Å; G207-S210 VanDerWaalsContact O-N 3.14Å; G207-S210 PolarHBondContact O-OG 3.31Å
208L56.7Low63.1Low144 Ų14469.2 Ų69.275%0.75442%0.421SS*.Hα-helixtrans-65.8-22.4172.7-65.9170.7000112.6A204 V205 M206A204-L208 PolarHBondContact O-N 3.25Å; V205-L208 PolarHBondContact O-N 3.23Å; M206-L208 VanDerWaalsContact C-N 3.35Å
209M54.5Low63.4Low90 Ų9069.5 Ų69.544%0.44342%0.419SS..THydrogen-bonded Turntrans-83.4-9.8175.8-161.9117.813500113.2V205 M206 G207 D211 T212V205-M209 PolarHBondContact O-N 2.95Å; M206-M209 CarbonylContact O-C 3.51Å; M206-M209 WeakPolarHBondContact O-CA 3.36Å; M206-M209 VanDerWaalsContact O-CB 3.32Å; M206-M209 WeakPolarHBondContact O-CB 3.46Å; M206-M209 PolarHBondContact O-N 3.04Å; G207-M209 PolarHBondContact O-N 3.34Å; M209-D211 VanDerWaalsContact C-N 3.28Å; M209-D211 PolarHBondContact O-N 3.27Å; M209-T212 WeakPolarHBondContact O-CA 3.08Å; M209-T212 WeakPolarHBondContact O-CB 3.28Å; M209-T212 PolarHBondContact O-N 3.38Å; M209-T212 PolarHBondContact O-OG1 3.23Å
210S50.6Low64Low69 Ų6971.2 Ų71.248%0.48341%0.414SS..Hα-helixtrans-61.4-30.8-174.962.80000114M206 G207 T212 L213M206-S210 PolarHBondContact O-N 3.09Å; G207-S210 VanDerWaalsContact O-CB 3.31Å; G207-S210 WeakPolarHBondContact O-CB 3.48Å; G207-S210 PolarHBondContact O-N 3.32Å; G207-S210 VanDerWaalsContact O-N 3.14Å; G207-S210 PolarHBondContact O-OG 3.31Å; S210-T212 PolarHBondContact O-N 3.07Å; S210-L213 WeakPolarHBondContact O-CB 3.47Å; S210-L213 PolarHBondContact O-N 3.42Å
211D49.9Very low64.7Low126 Ų12666.2 Ų66.267%0.67439%0.389SS*.Hα-helixtrans-60.7-28.4172.5-75.5-32.2000112.2M209 L213 S214M209-D211 VanDerWaalsContact C-N 3.28Å; M209-D211 PolarHBondContact O-N 3.27Å; D211-L213 VanDerWaalsContact C-N 3.34Å; D211-S214 PolarHBondContact O-OG 2.88Å
212T51.6Low65.6Low45 Ų4564.6 Ų64.628%0.27638%0.378SS..Hα-helixtrans-75.7-20.4177-44.10000112.5I138 M209 S210 S215I138-T212 HydrophobicContact CB-CG2 4.33Å; I138-T212 HydrophobicContact CD1-CG2 3.44Å; I138-T212 VanDerWaalsContact CD1-CG2 3.44Å; I138-T212 HydrophobicContact CG1-CG2 3.5Å; I138-T212 VanDerWaalsContact CG1-CG2 3.5Å; I138-T212 HydrophobicContact CG2-CG2 3.88Å; M209-T212 WeakPolarHBondContact O-CA 3.08Å; M209-T212 WeakPolarHBondContact O-CB 3.28Å; M209-T212 PolarHBondContact O-N 3.38Å; M209-T212 PolarHBondContact O-OG1 3.23Å; S210-T212 PolarHBondContact O-N 3.07Å; T212-S215 WeakPolarHBondContact O-CB 3.45Å; T212-S215 PolarHBondContact O-N 2.89Å
213L50.3Low66.5Low123 Ų12366.2 Ų66.264%0.64438%0.382SS*.Hα-helixtrans-73.5-29.2179.4-104.675.2000112.6S210 D211 S215 S216S210-L213 WeakPolarHBondContact O-CB 3.47Å; S210-L213 PolarHBondContact O-N 3.42Å; D211-L213 VanDerWaalsContact C-N 3.34Å; L213-S215 PolarHBondContact O-N 3.3Å; L213-S216 WeakPolarHBondContact O-CA 2.99Å; L213-S216 WeakPolarHBondContact O-CB 3.49Å; L213-S216 PolarHBondContact O-N 3.26Å
214S53.3Low67.5Low40 Ų4065 Ų6528%0.2837%0.366SS..Hα-helixtrans-63.8-28.8175.366.40000112.5D211 S216D211-S214 PolarHBondContact O-OG 2.88Å; S214-S216 PolarHBondContact O-N 2.66Å
215S60.8Low68.7Low32 Ų3262.2 Ų62.222%0.22434%0.343CS..Hα-helixtrans-63.4-22.4170-55.90000113T212 L213 D217 N218 Q219T212-S215 WeakPolarHBondContact O-CB 3.45Å; T212-S215 PolarHBondContact O-N 2.89Å; L213-S215 PolarHBondContact O-N 3.3Å; S215-D217 PolarHBondContact O-N 3.44Å; S215-N218 PolarHBondContact O-N 3.5Å; S215-Q219 VanDerWaalsContact O-CB 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.37Å; S215-Q219 WeakPolarHBondContact O-CG 3.19Å; S215-Q219 PolarHBondContact O-N 3.1Å
216S69.6Low69.9Low53 Ų5362.6 Ų62.637%0.37134%0.341SS..Hα-helixtrans-60.8-46.5-179.6-169.60000111.8L213 S214 Q219 K220L213-S216 WeakPolarHBondContact O-CA 2.99Å; L213-S216 WeakPolarHBondContact O-CB 3.49Å; L213-S216 PolarHBondContact O-N 3.26Å; S214-S216 PolarHBondContact O-N 2.66Å; S216-Q219 PolarHBondContact O-N 3.49Å; S216-K220 VanDerWaalsContact O-CG 3.26Å; S216-K220 WeakPolarHBondContact O-CG 3.36Å; S216-K220 PolarHBondContact O-N 3.43Å; S216-K220 WeakPolarHBondContact OG-CE 3.12Å
217D79.5Confident71Confident58 Ų5858.3 Ų58.331%0.3132%0.322SS..Hα-helixtrans-72.8-37.7-178-66.5-24.4000112S215 Q219 K220 E221 A270S215-D217 PolarHBondContact O-N 3.44Å; D217-Q219 VanDerWaalsContact C-N 3.31Å; D217-Q219 PolarHBondContact O-N 2.88Å; D217-K220 PolarHBondContact O-N 2.9Å; D217-K220 IonicContact OD1-NZ 2.78Å; D217-K220 PolarHBondContact OD1-NZ 3.49Å; D217-E221 PolarHBondContact O-N 3.48Å; D217-A270 HydrophobicContact CB-CB 4.15Å
218N82.2Confident72.4Confident7 Ų756.4 Ų56.44%0.03730%0.303CS..Hα-helixtrans-60-41.4171.2-70.9-13.4000111.5S215 L222 W271 N297 D300S215-N218 PolarHBondContact O-N 3.5Å; N218-L222 VanDerWaalsContact O-CB 3.3Å; N218-L222 WeakPolarHBondContact O-CB 3.28Å; N218-L222 PolarHBondContact O-N 3.28Å; N218-W271 WeakPolarHBondContact OD1-CZ2 3.39Å; N218-N297 WeakPolarHBondContact OD1-CA 3.41Å; N218-N297 WeakPolarHBondContact OD1-CB 3.4Å; N218-N297 PolarHBondContact OD1-ND2 2.96Å; N218-D300 WeakPolarHBondContact ND2-CB 3.27Å; N218-D300 PolarHBondContact ND2-OD2 3.24Å; N218-D300 VanDerWaalsContact ND2-OD2 3.1Å
219Q77.1Confident73.8Confident30 Ų3049.7 Ų49.714%0.1427%0.268CS..Hα-helixtrans-70.6-39.9179.1-73.7-63.2-71.200112.6V134 S215 S216 D217 L222 K223V134-Q219 HydrophobicContact CB-CG 4.11Å; V134-Q219 HydrophobicContact CG1-CG 4.28Å; S215-Q219 VanDerWaalsContact O-CB 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.37Å; S215-Q219 WeakPolarHBondContact O-CG 3.19Å; S215-Q219 PolarHBondContact O-N 3.1Å; S216-Q219 PolarHBondContact O-N 3.49Å; D217-Q219 VanDerWaalsContact C-N 3.31Å; D217-Q219 PolarHBondContact O-N 2.88Å; Q219-L222 PolarHBondContact O-N 2.89Å; Q219-K223 WeakPolarHBondContact O-CB 3.41Å; Q219-K223 PolarHBondContact O-N 3.11Å
220K83.4Confident75.3Confident98 Ų9849 Ų4943%0.42627%0.269SS..Hα-helixtrans-59-51172.5-72.5170.1-162.3159.90110.3S216 D217 L222 K223 N224S216-K220 VanDerWaalsContact O-CG 3.26Å; S216-K220 WeakPolarHBondContact O-CG 3.36Å; S216-K220 PolarHBondContact O-N 3.43Å; S216-K220 WeakPolarHBondContact OG-CE 3.12Å; D217-K220 PolarHBondContact O-N 2.9Å; D217-K220 IonicContact OD1-NZ 2.78Å; D217-K220 PolarHBondContact OD1-NZ 3.49Å; K220-L222 PolarHBondContact O-N 3.34Å; K220-K223 PolarHBondContact O-N 3.38Å; K220-N224 VanDerWaalsContact O-CB 3.27Å; K220-N224 WeakPolarHBondContact O-CB 3.28Å; K220-N224 PolarHBondContact O-N 2.9Å; K220-N224 PolarHBondContact O-OD1 2.97Å
221E88Confident76.8Confident0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-60.9-45179-175.469.5-179.200111.6D217 K223 N224 L225 N269 A270 W271 S290 L301D217-E221 PolarHBondContact O-N 3.48Å; E221-K223 VanDerWaalsContact C-N 3.34Å; E221-K223 PolarHBondContact O-N 2.99Å; E221-N224 WeakPolarHBondContact O-CB 3.45Å; E221-N224 PolarHBondContact O-N 3.19Å; E221-N224 VanDerWaalsContact O-N 3.16Å; E221-L225 HydrophobicContact CG-CD1 3.89Å; E221-L225 HydrophobicContact CG-CG 4.23Å; E221-L225 WeakPolarHBondContact O-CB 3.35Å; E221-L225 VanDerWaalsContact O-CG 3.28Å; E221-L225 WeakPolarHBondContact O-CG 3.05Å; E221-L225 PolarHBondContact O-N 3.16Å; E221-N269 VanDerWaalsContact CD-CB 3.45Å; E221-N269 WeakPolarHBondContact OE1-CB 3.2Å; E221-N269 VanDerWaalsContact OE2-CA 3.27Å; E221-N269 WeakPolarHBondContact OE2-CA 3.39Å; E221-N269 VanDerWaalsContact OE2-CB 3.31Å; E221-N269 WeakPolarHBondContact OE2-CB 3.44Å; E221-A270 HydrophobicContact CB-CB 4.12Å; E221-A270 PolarHBondContact OE2-N 2.97Å; E221-W271 HydrophobicContact CB-CH2 3.71Å; E221-W271 HydrophobicContact CB-CZ3 4.05Å; E221-W271 HydrophobicContact CG-CH2 3.8Å; E221-W271 HydrophobicContact CG-CZ3 3.69Å; E221-S290 PolarHBondContact OE1-OG 3.41Å; E221-L301 HydrophobicContact CB-CD1 4.48Å; E221-L301 HydrophobicContact CG-CD1 4.31Å; E221-L301 HydrophobicContact CG-CD2 3.97Å
222L87.3Confident78.4Confident18 Ų1844.2 Ų44.29%0.09423%0.233CC..Hα-helixtrans-56.7-47.3176.9-179.166.4000111.8N218 Q219 K220 N224 L225 Q226 L301 L305N218-L222 VanDerWaalsContact O-CB 3.3Å; N218-L222 WeakPolarHBondContact O-CB 3.28Å; N218-L222 PolarHBondContact O-N 3.28Å; Q219-L222 PolarHBondContact O-N 2.89Å; K220-L222 PolarHBondContact O-N 3.34Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-L225 PolarHBondContact O-N 2.93Å; L222-Q226 WeakPolarHBondContact O-CB 3.24Å; L222-Q226 VanDerWaalsContact O-CG 3.29Å; L222-Q226 WeakPolarHBondContact O-CG 3.4Å; L222-Q226 PolarHBondContact O-N 3.27Å; L222-L301 HydrophobicContact CB-CD1 4.12Å; L222-L301 HydrophobicContact CD1-CD1 4.42Å; L222-L305 HydrophobicContact CD1-CD2 3.53Å; L222-L305 HydrophobicContact CD1-CG 3.92Å
223K86.1Confident79.8Confident134 Ų13447.8 Ų47.858%0.58325%0.245SC*.Hα-helixtrans-63.6-40.7177.1-177-177177.1-174.50111.5Q219 K220 E221 Q226 T227Q219-K223 WeakPolarHBondContact O-CB 3.41Å; Q219-K223 PolarHBondContact O-N 3.11Å; K220-K223 PolarHBondContact O-N 3.38Å; E221-K223 VanDerWaalsContact C-N 3.34Å; E221-K223 PolarHBondContact O-N 2.99Å; K223-Q226 PolarHBondContact O-N 3.37Å; K223-T227 WeakPolarHBondContact O-CB 3.37Å; K223-T227 PolarHBondContact O-N 2.98Å; K223-T227 PolarHBondContact O-OG1 3.48Å
224N88.5Confident81.1Confident12 Ų1244.4 Ų44.46%0.06424%0.235CC..Hα-helixtrans-63.6-47179.3-78.4-1.7000111.3K220 E221 L222 Q226 T227 I228 P257 D259 M260K220-N224 VanDerWaalsContact O-CB 3.27Å; K220-N224 WeakPolarHBondContact O-CB 3.28Å; K220-N224 PolarHBondContact O-N 2.9Å; K220-N224 PolarHBondContact O-OD1 2.97Å; E221-N224 WeakPolarHBondContact O-CB 3.45Å; E221-N224 PolarHBondContact O-N 3.19Å; E221-N224 VanDerWaalsContact O-N 3.16Å; L222-N224 VanDerWaalsContact C-N 3.34Å; N224-Q226 PolarHBondContact O-N 3.28Å; N224-T227 WeakPolarHBondContact O-CB 3.4Å; N224-T227 PolarHBondContact O-N 2.84Å; N224-I228 WeakPolarHBondContact O-CG1 3.38Å; N224-I228 PolarHBondContact O-N 2.91Å; N224-P257 HydrophobicContact CB-CG 4.23Å; N224-P257 WeakPolarHBondContact OD1-CB 3.28Å; N224-P257 WeakPolarHBondContact OD1-CG 3.47Å; N224-D259 PolarHBondContact ND2-OD2 2.03Å; N224-D259 PolarHBondContact OD1-OD2 3.49Å; N224-M260 HydrophobicContact CB-CE 4.48Å; N224-M260 HydrophobicContact CB-CG 4.1Å; N224-M260 HydrophobicContact CB-SD 3.59Å; N224-M260 VanDerWaalsContact CB-SD 3.59Å; N224-M260 WeakPolarHBondContact ND2-CG 3.22Å
225L89.8Confident82Confident0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-62.4-41.1175.2-67.8170.8000112.5E221 L222 T227 A229 I288 L301 L305 F311 L337E221-L225 HydrophobicContact CG-CD1 3.89Å; E221-L225 HydrophobicContact CG-CG 4.23Å; E221-L225 WeakPolarHBondContact O-CB 3.35Å; E221-L225 VanDerWaalsContact O-CG 3.28Å; E221-L225 WeakPolarHBondContact O-CG 3.05Å; E221-L225 PolarHBondContact O-N 3.16Å; L222-L225 PolarHBondContact O-N 2.93Å; L225-T227 VanDerWaalsContact C-N 3.34Å; L225-A229 VanDerWaalsContact O-CB 3.32Å; L225-A229 WeakPolarHBondContact O-CB 3.03Å; L225-A229 PolarHBondContact O-N 3.42Å; L225-I288 HydrophobicContact CD2-CD1 4.47Å; L225-I288 HydrophobicContact CD2-CG2 3.89Å; L225-L301 HydrophobicContact CD1-CD1 4.38Å; L225-L301 HydrophobicContact CD1-CD2 4.28Å; L225-L305 HydrophobicContact CD1-CD1 4.38Å; L225-F311 HydrophobicContact CB-CZ 4.29Å; L225-L337 HydrophobicContact CD1-CD1 3.69Å; L225-L337 HydrophobicContact CD2-CD1 4.02Å; L225-L337 HydrophobicContact CG-CD1 4.3Å
226Q86.8Confident82.4Confident64 Ų6445.1 Ų45.130%0.29923%0.229SC..Hα-helixtrans-66.6-35.4174.8-73176.8-3.700112.6L222 K223 N224 A229 T230 M310L222-Q226 WeakPolarHBondContact O-CB 3.24Å; L222-Q226 VanDerWaalsContact O-CG 3.29Å; L222-Q226 WeakPolarHBondContact O-CG 3.4Å; L222-Q226 PolarHBondContact O-N 3.27Å; K223-Q226 PolarHBondContact O-N 3.37Å; N224-Q226 PolarHBondContact O-N 3.28Å; Q226-A229 PolarHBondContact O-N 3.15Å; Q226-T230 WeakPolarHBondContact O-CB 3.02Å; Q226-T230 PolarHBondContact O-N 2.76Å; Q226-T230 PolarHBondContact O-OG1 2.85Å; Q226-M310 HydrophobicContact CB-CE 4.13Å; Q226-M310 HydrophobicContact CB-SD 3.9Å; Q226-M310 HydrophobicContact CG-CE 4.32Å; Q226-M310 HydrophobicContact CG-SD 3.96Å
227T87Confident82.1Confident42 Ų4250.4 Ų50.426%0.25825%0.246SC..Hα-helixtrans-66.3-48.7176.7-58.80000110.3K223 N224 L225 A229 T230 K231 P257K223-T227 WeakPolarHBondContact O-CB 3.37Å; K223-T227 PolarHBondContact O-N 2.98Å; K223-T227 PolarHBondContact O-OG1 3.48Å; N224-T227 WeakPolarHBondContact O-CB 3.4Å; N224-T227 PolarHBondContact O-N 2.84Å; L225-T227 VanDerWaalsContact C-N 3.34Å; T227-A229 PolarHBondContact O-N 2.84Å; T227-T230 PolarHBondContact O-N 2.85Å; T227-K231 HydrophobicContact CG2-CG 4.39Å; T227-K231 WeakPolarHBondContact O-CB 3.3Å; T227-K231 VanDerWaalsContact O-CG 3.23Å; T227-K231 WeakPolarHBondContact O-CG 3.16Å; T227-K231 PolarHBondContact O-N 2.67Å; T227-P257 HydrophobicContact CG2-CG 4.2Å
228I87.1Confident81.6Confident0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-54-48.4171.5-68.6166.9000109.2N224 T230 K231 M232 L250 L256 M260 I277 I288N224-I228 WeakPolarHBondContact O-CG1 3.38Å; N224-I228 PolarHBondContact O-N 2.91Å; I228-T230 VanDerWaalsContact C-N 3.32Å; I228-T230 PolarHBondContact O-N 3.08Å; I228-K231 PolarHBondContact O-N 3.4Å; I228-M232 HydrophobicContact CG2-CG 3.93Å; I228-M232 VanDerWaalsContact O-CB 3.27Å; I228-M232 WeakPolarHBondContact O-CB 3.43Å; I228-M232 VanDerWaalsContact O-CG 3.27Å; I228-M232 WeakPolarHBondContact O-CG 3.21Å; I228-M232 PolarHBondContact O-N 3.43Å; I228-L250 HydrophobicContact CG2-CD1 3.93Å; I228-L256 HydrophobicContact CD1-CD1 3.74Å; I228-L256 HydrophobicContact CG1-CD1 3.83Å; I228-M260 HydrophobicContact CD1-CE 3.63Å; I228-M260 HydrophobicContact CD1-SD 3.52Å; I228-M260 VanDerWaalsContact CD1-SD 3.52Å; I228-M260 HydrophobicContact CG1-SD 4.28Å; I228-I277 HydrophobicContact CD1-CD1 4.49Å; I228-I277 HydrophobicContact CG2-CD1 3.63Å; I228-I277 HydrophobicContact CG2-CG1 4.49Å; I228-I288 HydrophobicContact CB-CD1 4.15Å; I228-I288 HydrophobicContact CG2-CD1 3.55Å; I228-I288 HydrophobicContact CG2-CG1 4.35Å
229A86.6Confident80.6Confident2 Ų257.9 Ų57.92%0.01729%0.293CS..Hα-helixtrans-63.7-39.5-175.100000112.9L225 Q226 T227 K233 Y286 M310 F311L225-A229 VanDerWaalsContact O-CB 3.32Å; L225-A229 WeakPolarHBondContact O-CB 3.03Å; L225-A229 PolarHBondContact O-N 3.42Å; Q226-A229 PolarHBondContact O-N 3.15Å; T227-A229 PolarHBondContact O-N 2.84Å; A229-K233 WeakPolarHBondContact O-CB 3.12Å; A229-K233 PolarHBondContact O-N 2.97Å; A229-Y286 WeakPolarHBondContact CA-OH 3.18Å; A229-Y286 VanDerWaalsContact CB-OH 3.31Å; A229-Y286 WeakPolarHBondContact CB-OH 3.47Å; A229-Y286 PolarHBondContact O-OH 3.33Å; A229-Y286 VanDerWaalsContact O-OH 3.1Å; A229-M310 HydrophobicContact CB-CB 4.21Å; A229-M310 HydrophobicContact CB-SD 3.78Å; A229-F311 HydrophobicContact CB-CE1 4.05Å; A229-F311 HydrophobicContact CB-CZ 3.88Å
230T85.3Confident79.8Confident76 Ų7660.1 Ų60.147%0.46630%0.304SS..Hα-helixtrans-66.8-43.2176.6-560000111.5Q226 T227 I228 K233 A234 M310Q226-T230 WeakPolarHBondContact O-CB 3.02Å; Q226-T230 PolarHBondContact O-N 2.76Å; Q226-T230 PolarHBondContact O-OG1 2.85Å; T227-T230 PolarHBondContact O-N 2.85Å; I228-T230 VanDerWaalsContact C-N 3.32Å; I228-T230 PolarHBondContact O-N 3.08Å; T230-K233 PolarHBondContact O-N 2.68Å; T230-A234 PolarHBondContact O-N 3.34Å; T230-M310 WeakPolarHBondContact OG1-CE 3.31Å
231K83.4Confident79.2Confident94 Ų9456 Ų5641%0.40929%0.286SS..Hα-helixtrans-70.1-42.4179.9-67.7-75.2-174.6174.10111.9T227 I228 K233 A234 Q235 L250T227-K231 HydrophobicContact CG2-CG 4.39Å; T227-K231 WeakPolarHBondContact O-CB 3.3Å; T227-K231 VanDerWaalsContact O-CG 3.23Å; T227-K231 WeakPolarHBondContact O-CG 3.16Å; T227-K231 PolarHBondContact O-N 2.67Å; I228-K231 PolarHBondContact O-N 3.4Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-K233 PolarHBondContact O-N 3.31Å; K231-A234 WeakPolarHBondContact O-CB 3.26Å; K231-A234 PolarHBondContact O-N 2.95Å; K231-Q235 PolarHBondContact O-N 2.88Å; K231-Q235 VanDerWaalsContact O-N 3.09Å; K231-L250 HydrophobicContact CB-CD2 3.84Å
232M83.2Confident78.2Confident0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-61.2-43.3172-74.3-63.9-70.500111I228 A234 Q235 K236 Y241 Y246 L250 I277 Y286I228-M232 HydrophobicContact CG2-CG 3.93Å; I228-M232 VanDerWaalsContact O-CB 3.27Å; I228-M232 WeakPolarHBondContact O-CB 3.43Å; I228-M232 VanDerWaalsContact O-CG 3.27Å; I228-M232 WeakPolarHBondContact O-CG 3.21Å; I228-M232 PolarHBondContact O-N 3.43Å; M232-A234 VanDerWaalsContact C-N 3.29Å; M232-A234 PolarHBondContact O-N 3.38Å; M232-Q235 PolarHBondContact O-N 3.4Å; M232-Q235 VanDerWaalsContact O-N 3.15Å; M232-K236 PolarHBondContact O-N 3.43Å; M232-K236 VanDerWaalsContact O-N 3.09Å; M232-Y241 HydrophobicContact CB-CE1 4.4Å; M232-Y241 HydrophobicContact CE-CD1 3.79Å; M232-Y241 HydrophobicContact CE-CE1 3.43Å; M232-Y241 VanDerWaalsContact CE-CE1 3.43Å; M232-Y241 VanDerWaalsContact O-CE1 3.23Å; M232-Y241 WeakPolarHBondContact O-CE1 3.33Å; M232-Y241 PolarHBondContact O-OH 3.29Å; M232-Y241 HydrophobicContact SD-CE1 4.23Å; M232-Y246 HydrophobicContact CE-CD1 3.49Å; M232-Y246 VanDerWaalsContact CE-CD1 3.49Å; M232-Y246 HydrophobicContact CE-CE1 3.98Å; M232-Y246 HydrophobicContact CE-CG 4Å; M232-Y246 HydrophobicContact SD-CD1 3.75Å; M232-Y246 HydrophobicContact SD-CG 4.38Å; M232-L250 HydrophobicContact CG-CD1 4.09Å; M232-L250 HydrophobicContact CG-CD2 4.42Å; M232-L250 HydrophobicContact SD-CD1 3.94Å; M232-L250 HydrophobicContact SD-CD2 4.21Å; M232-L250 HydrophobicContact SD-CG 4.23Å; M232-I277 HydrophobicContact CE-CG2 3.85Å; M232-I277 HydrophobicContact SD-CG2 4.42Å; M232-Y286 HydrophobicContact CB-CD1 4.06Å; M232-Y286 HydrophobicContact CB-CE1 3.54Å; M232-Y286 HydrophobicContact CB-CE2 4.04Å; M232-Y286 HydrophobicContact CE-CD1 3.99Å; M232-Y286 HydrophobicContact CE-CD2 4.29Å; M232-Y286 HydrophobicContact CE-CG 3.82Å; M232-Y286 HydrophobicContact CG-CD2 4.46Å; M232-Y286 HydrophobicContact CG-CE1 4.44Å; M232-Y286 HydrophobicContact CG-CE2 4.23Å
233K80.3Confident77.4Confident121 Ų12162 Ų6253%0.52633%0.328SS..Hα-helixtrans-60.7-38.6175.5-174.4175.7-178177.80111.8A229 T230 K231 Q235 K236 F237A229-K233 WeakPolarHBondContact O-CB 3.12Å; A229-K233 PolarHBondContact O-N 2.97Å; T230-K233 PolarHBondContact O-N 2.68Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-K233 PolarHBondContact O-N 3.31Å; K233-Q235 VanDerWaalsContact C-N 3.35Å; K233-Q235 PolarHBondContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.3Å; K233-K236 PolarHBondContact O-N 3.48Å; K233-F237 HydrophobicContact CD-CE2 4.43Å; K233-F237 HydrophobicContact CG-CD2 4.39Å; K233-F237 HydrophobicContact CG-CE2 3.79Å; K233-F237 WeakPolarHBondContact O-CD2 3.26Å; K233-F237 PolarHBondContact O-N 2.93Å
234A77.9Confident76.9Confident51 Ų5162.6 Ų62.642%0.42134%0.343SS..Hα-helixtrans-63.5-38.1174.800000112.6T230 K231 M232 F237T230-A234 PolarHBondContact O-N 3.34Å; K231-A234 WeakPolarHBondContact O-CB 3.26Å; K231-A234 PolarHBondContact O-N 2.95Å; M232-A234 VanDerWaalsContact C-N 3.29Å; M232-A234 PolarHBondContact O-N 3.38Å; A234-F237 PolarHBondContact O-N 3.03Å
235Q72.8Confident76.7Confident47 Ų4764.5 Ų64.522%0.2235%0.353CS..Hα-helixtrans-67.4-34.9175.8-72.4-157.1-28.500113.4K231 M232 K233 F237 Q238 Y241K231-Q235 PolarHBondContact O-N 2.88Å; K231-Q235 VanDerWaalsContact O-N 3.09Å; M232-Q235 PolarHBondContact O-N 3.4Å; M232-Q235 VanDerWaalsContact O-N 3.15Å; K233-Q235 VanDerWaalsContact C-N 3.35Å; K233-Q235 PolarHBondContact O-N 3.09Å; Q235-F237 VanDerWaalsContact C-N 3.25Å; Q235-F237 PolarHBondContact O-N 3.22Å; Q235-Q238 WeakPolarHBondContact O-CB 3.46Å; Q235-Q238 PolarHBondContact O-N 3.41Å; Q235-Y241 HydrophobicContact CB-CD1 4.49Å; Q235-Y241 HydrophobicContact CB-CE1 4.1Å
236K68.9Low76.5Confident41 Ų4164.8 Ų64.818%0.17836%0.355CS..Hα-helixtrans-55.5-42.3174-173.2178.5171.9179.50112.4M232 K233 Q238 G239 Y241 Y284 N340 S341M232-K236 PolarHBondContact O-N 3.43Å; M232-K236 VanDerWaalsContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.3Å; K233-K236 PolarHBondContact O-N 3.48Å; K236-Q238 PolarHBondContact O-N 3.48Å; K236-G239 PolarHBondContact O-N 2.97Å; K236-Y241 HydrophobicContact CB-CE1 4.35Å; K236-Y241 HydrophobicContact CB-CE2 4.14Å; K236-Y241 HydrophobicContact CD-CE2 4.43Å; K236-Y241 HydrophobicContact CG-CE2 4.28Å; K236-Y284 WeakPolarHBondContact CD-O 3.32Å; K236-Y284 WeakPolarHBondContact CE-O 3.46Å; K236-Y284 PolarHBondContact NZ-O 3.28Å; K236-N340 PolarHBondContact NZ-O 3.28Å; K236-S341 WeakPolarHBondContact CE-OXT 3.48Å; K236-S341 PolarHBondContact NZ-O 3.36Å; K236-S341 PolarHBondContact NZ-OXT 2.93Å
237F63.6Low76.5Confident164 Ų16462.2 Ų62.272%0.71934%0.343SS*.THydrogen-bonded Turntrans-68.5-15.7178.7-71.1-68.4000113.4K233 A234 Q235K233-F237 HydrophobicContact CD-CE2 4.43Å; K233-F237 HydrophobicContact CG-CD2 4.39Å; K233-F237 HydrophobicContact CG-CE2 3.79Å; K233-F237 WeakPolarHBondContact O-CD2 3.26Å; K233-F237 PolarHBondContact O-N 2.93Å; A234-F237 PolarHBondContact O-N 3.03Å; Q235-F237 VanDerWaalsContact C-N 3.25Å; Q235-F237 PolarHBondContact O-N 3.22Å
238Q67.4Low76.4Confident167 Ų16764.2 Ų64.278%0.7835%0.348SS*.THydrogen-bonded Turntrans-88.60.6176-65.5-175.5-5.200113.9Q235 K236Q235-Q238 WeakPolarHBondContact O-CB 3.46Å; Q235-Q238 PolarHBondContact O-N 3.41Å; K236-Q238 PolarHBondContact O-N 3.48Å
239G61.9Low76.3Confident54 Ų5466.3 Ų66.356%0.55736%0.359SS*.THydrogen-bonded Turntrans97.988.6172.700000114.1K236K236-G239 PolarHBondContact O-N 2.97Å
240Q61Low76.2Confident78 Ų7866.2 Ų66.236%0.36436%0.358SS..  trans67134.6174.1-61.6-165.6-2.800117T242Q240-T242 VanDerWaalsContact C-N 3.26Å; Q240-T242 HydrophobicContact CB-CG2 3.73Å; Q240-T242 PolarHBondContact O-N 2.86Å
241Y69.5Low76.2Confident12 Ų1264.9 Ų64.95%0.04735%0.35CS..  trans-71.482.7164.3-64.6-57.8000109.1M232 Q235 K236 Y246 V279 K283 Y286M232-Y241 HydrophobicContact CB-CE1 4.4Å; M232-Y241 HydrophobicContact CE-CD1 3.79Å; M232-Y241 HydrophobicContact CE-CE1 3.43Å; M232-Y241 VanDerWaalsContact CE-CE1 3.43Å; M232-Y241 VanDerWaalsContact O-CE1 3.23Å; M232-Y241 WeakPolarHBondContact O-CE1 3.33Å; M232-Y241 PolarHBondContact O-OH 3.29Å; M232-Y241 HydrophobicContact SD-CE1 4.23Å; Q235-Y241 HydrophobicContact CB-CD1 4.49Å; Q235-Y241 HydrophobicContact CB-CE1 4.1Å; K236-Y241 HydrophobicContact CB-CE1 4.35Å; K236-Y241 HydrophobicContact CB-CE2 4.14Å; K236-Y241 HydrophobicContact CD-CE2 4.43Å; K236-Y241 HydrophobicContact CG-CE2 4.28Å; Y241-Y246 VanDerWaalsContact CA-OH 3.28Å; Y241-Y246 WeakPolarHBondContact CA-OH 3.41Å; Y241-Y246 WeakPolarHBondContact CB-OH 3.42Å; Y241-Y246 AromaticContact CD1-CE1 3.78Å; Y241-Y246 HydrophobicContact CD1-CE1 3.78Å; Y241-Y246 HydrophobicContact CG-CE1 4.26Å; Y241-Y246 PolarHBondContact O-OH 2.94Å; Y241-V279 VanDerWaalsContact CB-CG2 3.46Å; Y241-V279 HydrophobicContact CD2-CG1 4.34Å; Y241-V279 HydrophobicContact CD2-CG2 4.3Å; Y241-V279 HydrophobicContact CG-CG2 3.98Å; Y241-K283 WeakPolarHBondContact CD2-O 3.4Å; Y241-Y286 AromaticContact CE2-CD1 3.87Å; Y241-Y286 HydrophobicContact CE2-CD1 3.87Å; Y241-Y286 AromaticContact CZ-CD1 3.68Å; Y241-Y286 VanDerWaalsContact OH-CD1 3.29Å; Y241-Y286 WeakPolarHBondContact OH-CD1 3.32Å; Y241-Y286 VanDerWaalsContact OH-CE1 3.3Å; Y241-Y286 WeakPolarHBondContact OH-CE1 3.39Å
242T67.1Low76.2Confident117 Ų11767 Ų6772%0.71836%0.361SS*.  trans-91.8-13.1-176.255.10000113.8Q240 Y246Q240-T242 VanDerWaalsContact C-N 3.26Å; Q240-T242 HydrophobicContact CB-CG2 3.73Å; Q240-T242 PolarHBondContact O-N 2.86Å; T242-Y246 PolarHBondContact N-OH 3.13Å
243G71.4Confident76Confident26 Ų2670.2 Ų70.227%0.26838%0.384SS..  trans-71.4154.3177.700000113.6Y246G243-Y246 PolarHBondContact N-OH 3.29Å; G243-Y246 WeakPolarHBondContact O-CE2 3.23Å; G243-Y246 PolarHBondContact O-OH 2.83Å
244T76Confident76.1Confident147 Ų14767 Ų6790%0.90239%0.386SS*.SBendtrans-95.6-27171.350.70000112.6
245D83.9Confident76.2Confident51 Ų5164.7 Ų64.727%0.27337%0.366SS..  trans-12288-177.1-171.1-15.4000111.1V247 K248 I249 N265D245-V247 VanDerWaalsContact C-N 3.27Å; D245-V247 PolarHBondContact O-N 2.95Å; D245-V247 PolarHBondContact OD1-N 2.94Å; D245-K248 HydrophobicContact CB-CB 3.97Å; D245-K248 VanDerWaalsContact CG-CB 3.46Å; D245-K248 WeakPolarHBondContact O-CB 3.48Å; D245-K248 PolarHBondContact O-N 3.41Å; D245-K248 PolarHBondContact OD1-N 3.08Å; D245-I249 WeakPolarHBondContact O-CG1 3.28Å; D245-I249 PolarHBondContact O-N 3.24Å; D245-I249 VanDerWaalsContact O-N 3.1Å; D245-N265 WeakPolarHBondContact OD2-CB 3.27Å; D245-N265 PolarHBondContact OD2-ND2 2.99Å
246Y85Confident76.7Confident7 Ų762.9 Ų62.93%0.02736%0.358CS..Hα-helixtrans-69.1-26.1-179.5-72-78.6000113.3M232 Y241 T242 G243 I249 L250 I277 V279M232-Y246 HydrophobicContact CE-CD1 3.49Å; M232-Y246 VanDerWaalsContact CE-CD1 3.49Å; M232-Y246 HydrophobicContact CE-CE1 3.98Å; M232-Y246 HydrophobicContact CE-CG 4Å; M232-Y246 HydrophobicContact SD-CD1 3.75Å; M232-Y246 HydrophobicContact SD-CG 4.38Å; Y241-Y246 VanDerWaalsContact CA-OH 3.28Å; Y241-Y246 WeakPolarHBondContact CA-OH 3.41Å; Y241-Y246 WeakPolarHBondContact CB-OH 3.42Å; Y241-Y246 AromaticContact CD1-CE1 3.78Å; Y241-Y246 HydrophobicContact CD1-CE1 3.78Å; Y241-Y246 HydrophobicContact CG-CE1 4.26Å; Y241-Y246 PolarHBondContact O-OH 2.94Å; T242-Y246 PolarHBondContact N-OH 3.13Å; G243-Y246 PolarHBondContact N-OH 3.29Å; G243-Y246 WeakPolarHBondContact O-CE2 3.23Å; G243-Y246 PolarHBondContact O-OH 2.83Å; Y246-I249 HydrophobicContact CD1-CD1 4.41Å; Y246-I249 HydrophobicContact CE1-CD1 4.41Å; Y246-I249 PolarHBondContact O-N 2.89Å; Y246-L250 VanDerWaalsContact O-CB 3.31Å; Y246-L250 WeakPolarHBondContact O-CB 3.46Å; Y246-L250 VanDerWaalsContact O-CG 3.25Å; Y246-L250 WeakPolarHBondContact O-CG 3.4Å; Y246-L250 PolarHBondContact O-N 3.22Å; Y246-I277 HydrophobicContact CG-CG2 4.17Å; Y246-V279 HydrophobicContact CD2-CG2 3.93Å; Y246-V279 HydrophobicContact CE1-CG2 4.06Å; Y246-V279 HydrophobicContact CE2-CB 4.27Å; Y246-V279 HydrophobicContact CE2-CG2 3.13Å; Y246-V279 WeakPolarHBondContact OH-CG2 3.47Å
247V86.4Confident77.5Confident9 Ų962 Ų626%0.05536%0.356CS..Hα-helixtrans-67.3-44.5175.7177.80000109.1D245 L250 T251 L256 N265 A267D245-V247 VanDerWaalsContact C-N 3.27Å; D245-V247 PolarHBondContact O-N 2.95Å; D245-V247 PolarHBondContact OD1-N 2.94Å; V247-L250 PolarHBondContact O-N 3.21Å; V247-T251 VanDerWaalsContact O-CB 3.3Å; V247-T251 WeakPolarHBondContact O-CB 3.47Å; V247-T251 PolarHBondContact O-N 3.01Å; V247-T251 PolarHBondContact O-OG1 3.39Å; V247-L256 HydrophobicContact CG1-CD2 4.09Å; V247-N265 WeakPolarHBondContact CB-O 3.48Å; V247-N265 VanDerWaalsContact CG1-O 3.24Å; V247-N265 WeakPolarHBondContact CG1-O 3.5Å; V247-A267 HydrophobicContact CG1-CB 3.86Å; V247-A267 HydrophobicContact CG2-CB 4.25Å
248K86.1Confident78.4Confident84 Ų8458 Ų5837%0.36535%0.353SS..Hα-helixtrans-57.2-51.8172-175.3-174.7174.7-178.50111.8D245 L250 T251 E252 N265D245-K248 HydrophobicContact CB-CB 3.97Å; D245-K248 VanDerWaalsContact CG-CB 3.46Å; D245-K248 WeakPolarHBondContact O-CB 3.48Å; D245-K248 PolarHBondContact O-N 3.41Å; D245-K248 PolarHBondContact OD1-N 3.08Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-L250 PolarHBondContact O-N 2.92Å; K248-T251 WeakPolarHBondContact O-CB 3.4Å; K248-T251 PolarHBondContact O-N 3.46Å; K248-T251 VanDerWaalsContact O-N 3.09Å; K248-E252 WeakPolarHBondContact CE-OE1 3.45Å; K248-E252 HydrophobicContact CG-CG 4.45Å; K248-E252 IonicContact NZ-OE1 3.84Å; K248-E252 WeakPolarHBondContact O-CG 2.94Å; K248-E252 PolarHBondContact O-N 3.16Å; K248-N265 HydrophobicContact CB-CB 4.18Å
249I83.9Confident79.2Confident45 Ų4554.5 Ų54.523%0.23134%0.34CS..Hα-helixtrans-60-43.8-177.4-67.9166000111.6D245 Y246 T251 S253D245-I249 WeakPolarHBondContact O-CG1 3.28Å; D245-I249 PolarHBondContact O-N 3.24Å; D245-I249 VanDerWaalsContact O-N 3.1Å; Y246-I249 HydrophobicContact CD1-CD1 4.41Å; Y246-I249 HydrophobicContact CE1-CD1 4.41Å; Y246-I249 PolarHBondContact O-N 2.89Å; I249-T251 VanDerWaalsContact C-N 3.34Å; I249-S253 VanDerWaalsContact O-CB 3.32Å; I249-S253 WeakPolarHBondContact O-CB 3.21Å; I249-S253 PolarHBondContact O-N 3Å; I249-S253 PolarHBondContact O-OG 3.41Å
250L85.2Confident80.4Confident0 Ų052 Ų520%031%0.314CS..Hα-helixtrans-71.1-30.5177.4-69.9171.2000112.3I228 K231 M232 Y246 V247 K248 S253 G254 G255 L256 I277I228-L250 HydrophobicContact CG2-CD1 3.93Å; K231-L250 HydrophobicContact CB-CD2 3.84Å; M232-L250 HydrophobicContact CG-CD1 4.09Å; M232-L250 HydrophobicContact CG-CD2 4.42Å; M232-L250 HydrophobicContact SD-CD1 3.94Å; M232-L250 HydrophobicContact SD-CD2 4.21Å; M232-L250 HydrophobicContact SD-CG 4.23Å; Y246-L250 VanDerWaalsContact O-CB 3.31Å; Y246-L250 WeakPolarHBondContact O-CB 3.46Å; Y246-L250 VanDerWaalsContact O-CG 3.25Å; Y246-L250 WeakPolarHBondContact O-CG 3.4Å; Y246-L250 PolarHBondContact O-N 3.22Å; V247-L250 PolarHBondContact O-N 3.21Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-L250 PolarHBondContact O-N 2.92Å; L250-S253 WeakPolarHBondContact CA-OG 3.31Å; L250-G254 CarbonylContact O-C 3.58Å; L250-G254 PolarHBondContact O-N 3.02Å; L250-G255 CarbonylContact O-C 3.56Å; L250-G255 WeakPolarHBondContact O-CA 3.16Å; L250-G255 PolarHBondContact O-N 3Å; L250-L256 HydrophobicContact CB-CB 3.91Å; L250-L256 PolarHBondContact O-N 3.45Å; L250-I277 HydrophobicContact CD1-CD1 3.41Å; L250-I277 VanDerWaalsContact CD1-CD1 3.41Å
251T85.8Confident81.7Confident47 Ų4751.4 Ų51.429%0.28831%0.313SS..Hα-helixtrans-67.6-47.8174.3-57.20000110.8V247 K248 I249 S253 G254 I261V247-T251 VanDerWaalsContact O-CB 3.3Å; V247-T251 WeakPolarHBondContact O-CB 3.47Å; V247-T251 PolarHBondContact O-N 3.01Å; V247-T251 PolarHBondContact O-OG1 3.39Å; K248-T251 WeakPolarHBondContact O-CB 3.4Å; K248-T251 PolarHBondContact O-N 3.46Å; K248-T251 VanDerWaalsContact O-N 3.09Å; I249-T251 VanDerWaalsContact C-N 3.34Å; T251-S253 PolarHBondContact O-N 3.44Å; T251-G254 PolarHBondContact O-N 2.85Å; T251-I261 HydrophobicContact CG2-CD1 3.96Å; T251-I261 HydrophobicContact CG2-CG1 4.37Å
252E83Confident82.4Confident139 Ų13953.4 Ų53.465%0.6533%0.332SS*.Hα-helixtrans-69.1-32.5-179-70.2175.1173.100112.8K248 G254K248-E252 WeakPolarHBondContact CE-OE1 3.45Å; K248-E252 HydrophobicContact CG-CG 4.45Å; K248-E252 IonicContact NZ-OE1 3.84Å; K248-E252 WeakPolarHBondContact O-CG 2.94Å; K248-E252 PolarHBondContact O-N 3.16Å; E252-G254 VanDerWaalsContact C-N 3.35Å
253S80.2Confident83.1Confident68 Ų6849.7 Ų49.748%0.47632%0.317SS..THydrogen-bonded Turntrans-86.1-0.6177.660.50000114.5I249 L250 T251 G255I249-S253 VanDerWaalsContact O-CB 3.32Å; I249-S253 WeakPolarHBondContact O-CB 3.21Å; I249-S253 PolarHBondContact O-N 3Å; I249-S253 PolarHBondContact O-OG 3.41Å; L250-S253 WeakPolarHBondContact CA-OG 3.31Å; T251-S253 PolarHBondContact O-N 3.44Å; S253-G255 PolarHBondContact O-N 2.86Å
254G80.4Confident83.6Confident54 Ų5451.9 Ų51.956%0.55734%0.339SS*.THydrogen-bonded Turntrans64.321.5-172.900000113.5L250 T251 E252L250-G254 CarbonylContact O-C 3.58Å; L250-G254 PolarHBondContact O-N 3.02Å; T251-G254 PolarHBondContact O-N 2.85Å; E252-G254 VanDerWaalsContact C-N 3.35Å
255G80.3Confident84Confident1 Ų148.5 Ų48.51%0.0132%0.315CS..  trans-81.8-17.9175.200000114.1L250 S253L250-G255 CarbonylContact O-C 3.56Å; L250-G255 WeakPolarHBondContact O-CA 3.16Å; L250-G255 PolarHBondContact O-N 3Å; S253-G255 PolarHBondContact O-N 2.86Å
256L85Confident84.3Confident10 Ų1053 Ų535%0.05233%0.332CS..SBendtrans-98123.9174.9-166.966.6000110.2I228 V247 L250 M260 I261 A267I228-L256 HydrophobicContact CD1-CD1 3.74Å; I228-L256 HydrophobicContact CG1-CD1 3.83Å; V247-L256 HydrophobicContact CG1-CD2 4.09Å; L250-L256 HydrophobicContact CB-CB 3.91Å; L250-L256 PolarHBondContact O-N 3.45Å; L256-M260 HydrophobicContact CD1-CB 3.92Å; L256-M260 HydrophobicContact CD1-CE 4.45Å; L256-M260 HydrophobicContact CD1-CG 4.43Å; L256-M260 HydrophobicContact CD1-SD 3.66Å; L256-M260 HydrophobicContact CD2-CB 4.34Å; L256-M260 HydrophobicContact CG-CB 3.95Å; L256-I261 HydrophobicContact CD2-CG1 4Å; L256-I261 HydrophobicContact CG-CG1 4.45Å; L256-A267 HydrophobicContact CD1-CB 4.49Å; L256-A267 HydrophobicContact CD2-CB 3.97Å
257P84.6Confident84.6Confident22 Ų2252.9 Ų52.914%0.14333%0.333CS..  trans-55.4140.7173.8-2534.6000111.8N224 T227 D259 M260N224-P257 HydrophobicContact CB-CG 4.23Å; N224-P257 WeakPolarHBondContact OD1-CB 3.28Å; N224-P257 WeakPolarHBondContact OD1-CG 3.47Å; T227-P257 HydrophobicContact CG2-CG 4.2Å; P257-D259 PolarHBondContact O-N 3.27Å; P257-D259 VanDerWaalsContact O-N 3.17Å; P257-M260 HydrophobicContact CB-CG 4.32Å; P257-M260 HydrophobicContact CG-SD 4.32Å; P257-M260 WeakPolarHBondContact O-CB 3.47Å; P257-M260 PolarHBondContact O-N 3.03Å
258A83.3Confident84.9Confident79 Ų7956.6 Ų56.665%0.65335%0.348SS*.G310 helixtrans-58-35.2-173.600000112.8M260 I261A258-M260 PolarHBondContact O-N 3.01Å; A258-I261 PolarHBondContact O-N 2.87Å; A258-I261 VanDerWaalsContact O-N 3.1Å
259D83.5Confident85.2Confident95 Ų9552.8 Ų52.851%0.50833%0.332SS..G310 helixtrans-64.7-20.9177.235.3-56.7000113.8N224 P257 K268N224-D259 PolarHBondContact ND2-OD2 2.03Å; N224-D259 PolarHBondContact OD1-OD2 3.49Å; P257-D259 PolarHBondContact O-N 3.27Å; P257-D259 VanDerWaalsContact O-N 3.17Å; D259-K268 VanDerWaalsContact O-CE 3.24Å; D259-K268 WeakPolarHBondContact O-CE 3.33Å
260M87.7Confident85.4Confident1 Ų152.6 Ų52.61%0.00534%0.337CS..G310 helixtrans-86.8-15.1172.9-62.3-168.983.600113.6N224 I228 L256 P257 A258 A262 A267 K268 V275N224-M260 HydrophobicContact CB-CE 4.48Å; N224-M260 HydrophobicContact CB-CG 4.1Å; N224-M260 HydrophobicContact CB-SD 3.59Å; N224-M260 VanDerWaalsContact CB-SD 3.59Å; N224-M260 WeakPolarHBondContact ND2-CG 3.22Å; I228-M260 HydrophobicContact CD1-CE 3.63Å; I228-M260 HydrophobicContact CD1-SD 3.52Å; I228-M260 VanDerWaalsContact CD1-SD 3.52Å; I228-M260 HydrophobicContact CG1-SD 4.28Å; L256-M260 HydrophobicContact CD1-CB 3.92Å; L256-M260 HydrophobicContact CD1-CE 4.45Å; L256-M260 HydrophobicContact CD1-CG 4.43Å; L256-M260 HydrophobicContact CD1-SD 3.66Å; L256-M260 HydrophobicContact CD2-CB 4.34Å; L256-M260 HydrophobicContact CG-CB 3.95Å; P257-M260 HydrophobicContact CB-CG 4.32Å; P257-M260 HydrophobicContact CG-SD 4.32Å; P257-M260 WeakPolarHBondContact O-CB 3.47Å; P257-M260 PolarHBondContact O-N 3.03Å; A258-M260 PolarHBondContact O-N 3.01Å; M260-A262 PolarHBondContact O-N 3.48Å; M260-A267 CarbonylContact O-C 3.49Å; M260-A267 WeakPolarHBondContact O-CA 3.2Å; M260-K268 WeakPolarHBondContact CA-O 3.33Å; M260-K268 PolarHBondContact O-N 3.08Å; M260-V275 HydrophobicContact CE-CB 4.13Å; M260-V275 HydrophobicContact CE-CG1 3.96Å; M260-V275 HydrophobicContact CE-CG2 3.82Å
261I87.5Confident85.6Confident66 Ų6655 Ų5534%0.33835%0.347SS..EExtended strand (participates in β ladder)trans-72.9119.5-175.4-59170.4000109.1T251 L256 A258T251-I261 HydrophobicContact CG2-CD1 3.96Å; T251-I261 HydrophobicContact CG2-CG1 4.37Å; L256-I261 HydrophobicContact CD2-CG1 4Å; L256-I261 HydrophobicContact CG-CG1 4.45Å; A258-I261 PolarHBondContact O-N 2.87Å; A258-I261 VanDerWaalsContact O-N 3.1Å
262A83.7Confident85.7Confident54 Ų5455.3 Ų55.345%0.44636%0.359SS..EExtended strand (participates in β ladder)trans-103.65.5177.600000113.2M260 K266 K268M260-A262 PolarHBondContact O-N 3.48Å; A262-K266 HydrophobicContact CB-CB 4.02Å; A262-K266 WeakPolarHBondContact CB-O 3.5Å; A262-K266 PolarHBondContact N-O 3.44Å; A262-K268 HydrophobicContact CB-CB 4.13Å; A262-K268 HydrophobicContact CB-CD 4.25Å; A262-K268 HydrophobicContact CB-CG 4.13Å
263G81.6Confident86.1Confident39 Ų3948.9 Ų48.940%0.40233%0.33SS..EExtended strand (participates in β ladder)trans80.9158.8-176.300000113.3N265 K266G263-N265 PolarHBondContact O-N 2.93Å; G263-K266 WeakPolarHBondContact O-CB 3.29Å; G263-K266 PolarHBondContact O-N 3.17Å
264G81.7Confident86.7Confident72 Ų7248.2 Ų48.274%0.74233%0.329SS*.THydrogen-bonded Turntrans5544.517500000114.8K266G264-K266 PolarHBondContact O-N 3.04Å
265N85.8Confident87.3Confident75 Ų7545.8 Ų45.840%0.40130%0.303SS..THydrogen-bonded Turntrans57.529-174.9-52.7-10000114.8D245 V247 K248 G263D245-N265 WeakPolarHBondContact OD2-CB 3.27Å; D245-N265 PolarHBondContact OD2-ND2 2.99Å; V247-N265 WeakPolarHBondContact CB-O 3.48Å; V247-N265 VanDerWaalsContact CG1-O 3.24Å; V247-N265 WeakPolarHBondContact CG1-O 3.5Å; K248-N265 HydrophobicContact CB-CB 4.18Å; G263-N265 PolarHBondContact O-N 2.93Å
266K89.9Confident87.9Confident145 Ų14548.2 Ų48.263%0.6332%0.318SS*.EExtended strand (participates in β ladder)trans-108.2143.5175.3-59.9179.9-177.3178.30110.7A262 G263 G264A262-K266 HydrophobicContact CB-CB 4.02Å; A262-K266 WeakPolarHBondContact CB-O 3.5Å; A262-K266 PolarHBondContact N-O 3.44Å; G263-K266 WeakPolarHBondContact O-CB 3.29Å; G263-K266 PolarHBondContact O-N 3.17Å; G264-K266 PolarHBondContact O-N 3.04Å
267A91.2Very high88.1Confident5 Ų548.3 Ų48.34%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-112.6149.7170.800000110.4V247 L256 M260 V275V247-A267 HydrophobicContact CG1-CB 3.86Å; V247-A267 HydrophobicContact CG2-CB 4.25Å; L256-A267 HydrophobicContact CD1-CB 4.49Å; L256-A267 HydrophobicContact CD2-CB 3.97Å; M260-A267 CarbonylContact O-C 3.49Å; M260-A267 WeakPolarHBondContact O-CA 3.2Å; A267-V275 HydrophobicContact CB-CB 3.89Å; A267-V275 HydrophobicContact CB-CG1 4.39Å; A267-V275 PolarHBondContact O-N 2.86Å
268K92.7Very high88.2Confident87 Ų8752.6 Ų52.638%0.37834%0.335SS..EExtended strand (participates in β ladder)trans-125.3151.3174.263.3179.9178.9-179.30110.6D259 M260 A262 G273D259-K268 VanDerWaalsContact O-CE 3.24Å; D259-K268 WeakPolarHBondContact O-CE 3.33Å; M260-K268 WeakPolarHBondContact CA-O 3.33Å; M260-K268 PolarHBondContact O-N 3.08Å; A262-K268 HydrophobicContact CB-CB 4.13Å; A262-K268 HydrophobicContact CB-CD 4.25Å; A262-K268 HydrophobicContact CB-CG 4.13Å; K268-G273 CarbonylContact C-O 3.56Å; K268-G273 WeakPolarHBondContact CA-O 3.27Å
269N91.6Very high88.2Confident5 Ų550.8 Ų50.83%0.02732%0.316CS..  trans-85.3177.4169.36325000111.2E221 W271 G272 G273 V275 S290 S291E221-N269 VanDerWaalsContact CD-CB 3.45Å; E221-N269 WeakPolarHBondContact OE1-CB 3.2Å; E221-N269 VanDerWaalsContact OE2-CA 3.27Å; E221-N269 WeakPolarHBondContact OE2-CA 3.39Å; E221-N269 VanDerWaalsContact OE2-CB 3.31Å; E221-N269 WeakPolarHBondContact OE2-CB 3.44Å; N269-W271 HydrophobicContact CB-CE3 4.15Å; N269-W271 HydrophobicContact CB-CZ3 4.41Å; N269-W271 PolarHBondContact O-N 3.35Å; N269-W271 WeakPolarHBondContact OD1-CA 3.39Å; N269-W271 PolarHBondContact OD1-N 3.5Å; N269-G272 PolarHBondContact O-N 2.77Å; N269-G272 PolarHBondContact OD1-N 2.85Å; N269-G272 VanDerWaalsContact OD1-N 3.08Å; N269-G273 PolarHBondContact N-O 2.79Å; N269-G273 WeakPolarHBondContact OD1-CA 3.36Å; N269-G273 PolarHBondContact OD1-N 3.42Å; N269-G273 PolarHBondContact OD1-O 2.82Å; N269-V275 HydrophobicContact CB-CG2 3.77Å; N269-S290 WeakPolarHBondContact CB-OG 3.24Å; N269-S290 PolarHBondContact ND2-OG 3.33Å; N269-S291 PolarHBondContact ND2-O 2.95Å
270A89.3Confident88.2Confident41 Ų4147.7 Ų47.734%0.33930%0.301SS..THydrogen-bonded Turntrans-54.8-20.5177.400000114.7D217 E221D217-A270 HydrophobicContact CB-CB 4.15Å; E221-A270 HydrophobicContact CB-CB 4.12Å; E221-A270 PolarHBondContact OE2-N 2.97Å
271W89.5Confident87.8Confident50 Ų5054 Ų5419%0.18935%0.345CS..THydrogen-bonded Turntrans-105.29.5-179.4-49.7-78000113.7N218 E221 N269 G273 V293 P294 N297 L301N218-W271 WeakPolarHBondContact OD1-CZ2 3.39Å; E221-W271 HydrophobicContact CB-CH2 3.71Å; E221-W271 HydrophobicContact CB-CZ3 4.05Å; E221-W271 HydrophobicContact CG-CH2 3.8Å; E221-W271 HydrophobicContact CG-CZ3 3.69Å; N269-W271 HydrophobicContact CB-CE3 4.15Å; N269-W271 HydrophobicContact CB-CZ3 4.41Å; N269-W271 PolarHBondContact O-N 3.35Å; N269-W271 WeakPolarHBondContact OD1-CA 3.39Å; N269-W271 PolarHBondContact OD1-N 3.5Å; W271-G273 VanDerWaalsContact C-N 3.28Å; W271-G273 PolarHBondContact O-N 3.2Å; W271-V293 HydrophobicContact CD2-CG1 4.48Å; W271-V293 HydrophobicContact CE3-CB 4.3Å; W271-V293 HydrophobicContact CE3-CG1 3.89Å; W271-V293 HydrophobicContact CE3-CG2 4.03Å; W271-V293 HydrophobicContact CH2-CG1 4.1Å; W271-V293 HydrophobicContact CZ3-CB 4.36Å; W271-V293 HydrophobicContact CZ3-CG1 3.66Å; W271-V293 HydrophobicContact CZ3-CG2 3.98Å; W271-P294 HydrophobicContact CB-CG 4.35Å; W271-P294 VanDerWaalsContact CG-CD 3.47Å; W271-P294 HydrophobicContact CG-CG 3.93Å; W271-N297 HydrophobicContact CH2-CB 4.37Å; W271-N297 HydrophobicContact CZ2-CB 3.65Å; W271-N297 PolarHBondContact NE1-ND2 3.11Å; W271-L301 HydrophobicContact CH2-CD2 4.09Å; W271-L301 HydrophobicContact CZ3-CD2 4.24Å
272G87.8Confident87.3Confident54 Ų5453.6 Ų53.656%0.55734%0.344SS*.SBendtrans78.15.9179.100000115.1N269N269-G272 PolarHBondContact O-N 2.77Å; N269-G272 PolarHBondContact OD1-N 2.85Å; N269-G272 VanDerWaalsContact OD1-N 3.08Å
273G91.1Very high86.8Confident4 Ų456.2 Ų56.24%0.04135%0.345CS..  trans-75.5149.9171.200000112.6K268 N269 W271 S291K268-G273 CarbonylContact C-O 3.56Å; K268-G273 WeakPolarHBondContact CA-O 3.27Å; N269-G273 PolarHBondContact N-O 2.79Å; N269-G273 WeakPolarHBondContact OD1-CA 3.36Å; N269-G273 PolarHBondContact OD1-N 3.42Å; N269-G273 PolarHBondContact OD1-O 2.82Å; W271-G273 VanDerWaalsContact C-N 3.28Å; W271-G273 PolarHBondContact O-N 3.2Å; G273-S291 WeakPolarHBondContact CA-O 3.31Å
274A92.5Very high86.6Confident54 Ų5459.3 Ų59.345%0.44635%0.346SS..EExtended strand (participates in β ladder)trans-67.5136.1-177.500000112.1S291A274-S291 WeakPolarHBondContact O-CB 3.06Å; A274-S291 PolarHBondContact O-N 2.9Å; A274-S291 PolarHBondContact O-OG 2.75Å
275V93.2Very high86.7Confident3 Ų356.4 Ų56.42%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-109.6123.5171.41770000108.7M260 A267 N269 I288 E289M260-V275 HydrophobicContact CE-CB 4.13Å; M260-V275 HydrophobicContact CE-CG1 3.96Å; M260-V275 HydrophobicContact CE-CG2 3.82Å; A267-V275 HydrophobicContact CB-CB 3.89Å; A267-V275 HydrophobicContact CB-CG1 4.39Å; A267-V275 PolarHBondContact O-N 2.86Å; N269-V275 HydrophobicContact CB-CG2 3.77Å; V275-I288 HydrophobicContact CG1-CG2 3.84Å; V275-E289 CarbonylContact C-O 3.55Å; V275-E289 VanDerWaalsContact CA-O 3.29Å; V275-E289 WeakPolarHBondContact CA-O 3.49Å
276T92.3Very high86.8Confident51 Ų5153.2 Ų53.231%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-124.1148.8176.668.70000110.5I288 E289T276-I288 CarbonylContact O-C 3.58Å; T276-I288 WeakPolarHBondContact O-CA 3.32Å; T276-E289 PolarHBondContact N-O 2.88Å; T276-E289 PolarHBondContact O-N 3.2Å
277I89.8Confident86.8Confident13 Ų1347.4 Ų47.47%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-126.6119.2-178.5-57.2167.6000107.2I228 M232 Y246 L250 Y286 V287 I288I228-I277 HydrophobicContact CD1-CD1 4.49Å; I228-I277 HydrophobicContact CG2-CD1 3.63Å; I228-I277 HydrophobicContact CG2-CG1 4.49Å; M232-I277 HydrophobicContact CE-CG2 3.85Å; M232-I277 HydrophobicContact SD-CG2 4.42Å; Y246-I277 HydrophobicContact CG-CG2 4.17Å; L250-I277 HydrophobicContact CD1-CD1 3.41Å; L250-I277 VanDerWaalsContact CD1-CD1 3.41Å; I277-Y286 HydrophobicContact CG2-CD2 4.29Å; I277-V287 WeakPolarHBondContact CA-O 3.39Å; I277-I288 HydrophobicContact CG1-CG1 4.33Å; I277-I288 HydrophobicContact CG1-CG2 4.37Å
278K87.5Confident86.9Confident111 Ų11147.1 Ų47.148%0.48327%0.271SS..EExtended strand (participates in β ladder)trans-120.9139.6-178.8-66.6172.9-176156.80109.6Y286 V287 E289K278-Y286 CarbonylContact O-C 3.49Å; K278-Y286 VanDerWaalsContact O-CA 3.24Å; K278-Y286 WeakPolarHBondContact O-CA 3.39Å; K278-Y286 WeakPolarHBondContact O-CB 3.44Å; K278-V287 PolarHBondContact N-O 3.36Å; K278-V287 PolarHBondContact O-N 2.89Å; K278-E289 IonicContact NZ-OE2 3.89Å; K278-E289 PolarHBondContact NZ-OE2 3.47Å
279V83.6Confident86.9Confident42 Ų4244.3 Ų44.326%0.25526%0.259SS..EExtended strand (participates in β ladder)trans-84136.3174.5174.80000109Y241 Y246Y241-V279 VanDerWaalsContact CB-CG2 3.46Å; Y241-V279 HydrophobicContact CD2-CG1 4.34Å; Y241-V279 HydrophobicContact CD2-CG2 4.3Å; Y241-V279 HydrophobicContact CG-CG2 3.98Å; Y246-V279 HydrophobicContact CD2-CG2 3.93Å; Y246-V279 HydrophobicContact CE1-CG2 4.06Å; Y246-V279 HydrophobicContact CE2-CB 4.27Å; Y246-V279 HydrophobicContact CE2-CG2 3.13Å; Y246-V279 WeakPolarHBondContact OH-CG2 3.47Å
280S81.6Confident87Confident30 Ų3044.2 Ų44.221%0.2126%0.258CS..  trans-70.1163.2174.4-60.50000110.8D282 K283 S285S280-D282 WeakPolarHBondContact CB-OD1 3.35Å; S280-D282 PolarHBondContact O-N 2.77Å; S280-K283 PolarHBondContact O-N 3.17Å; S280-S285 WeakPolarHBondContact CB-OG 3.09Å; S280-S285 PolarHBondContact N-O 3.23Å; S280-S285 PolarHBondContact OG-OG 2.7Å
281S79.5Confident87.2Confident132 Ų13243.9 Ų43.992%0.92325%0.254SS*.THydrogen-bonded Turntrans-58.3-23.5-179.153.50000114.6K283S281-K283 PolarHBondContact O-N 3.25Å
282D76.7Confident87.3Confident58 Ų5844.1 Ų44.131%0.3126%0.259SS..THydrogen-bonded Turntrans-72.1-13.7177.664.46.4000113.5S280 Y284 S285 S341S280-D282 WeakPolarHBondContact CB-OD1 3.35Å; S280-D282 PolarHBondContact O-N 2.77Å; D282-Y284 WeakPolarHBondContact O-CD2 3.38Å; D282-Y284 PolarHBondContact O-N 3.1Å; D282-Y284 PolarHBondContact OD1-N 2.93Å; D282-S285 PolarHBondContact OD1-N 3.3Å; D282-S285 PolarHBondContact OD1-OG 2.84Å; D282-S285 WeakPolarHBondContact OD2-CB 3.38Å; D282-S285 PolarHBondContact OD2-OG 3Å; D282-S341 WeakPolarHBondContact OD2-CB 2.96Å
283K75.1Confident87.4Confident110 Ų11041.6 Ų41.648%0.47823%0.232SC..SBendtrans61.48.5-171.9-54.5-179.4176.2-177.90115.3Y241 S280 S281Y241-K283 WeakPolarHBondContact CD2-O 3.4Å; S280-K283 PolarHBondContact O-N 3.17Å; S281-K283 PolarHBondContact O-N 3.25Å
284Y76.9Confident87.5Confident104 Ų10443.3 Ų43.341%0.40824%0.243SC..SBendtrans-121.2-16.3-177.1-68.2-72.3000113.3K236 D282K236-Y284 WeakPolarHBondContact CD-O 3.32Å; K236-Y284 WeakPolarHBondContact CE-O 3.46Å; K236-Y284 PolarHBondContact NZ-O 3.28Å; D282-Y284 WeakPolarHBondContact O-CD2 3.38Å; D282-Y284 PolarHBondContact O-N 3.1Å; D282-Y284 PolarHBondContact OD1-N 2.93Å
285S83.4Confident87.3Confident11 Ų1145.3 Ų45.38%0.07724%0.241CC..  trans-114.3160.1170.560.10000111.7S280 D282 T339S280-S285 WeakPolarHBondContact CB-OG 3.09Å; S280-S285 PolarHBondContact N-O 3.23Å; S280-S285 PolarHBondContact OG-OG 2.7Å; D282-S285 PolarHBondContact OD1-N 3.3Å; D282-S285 PolarHBondContact OD1-OG 2.84Å; D282-S285 WeakPolarHBondContact OD2-CB 3.38Å; D282-S285 PolarHBondContact OD2-OG 3Å; S285-T339 VanDerWaalsContact CB-O 3.28Å; S285-T339 WeakPolarHBondContact CB-O 3.28Å
286Y87.7Confident86.9Confident7 Ų751.2 Ų51.23%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-137.2159.1175.460.9-86.4000110.5A229 M232 Y241 I277 K278 I288 T339A229-Y286 WeakPolarHBondContact CA-OH 3.18Å; A229-Y286 VanDerWaalsContact CB-OH 3.31Å; A229-Y286 WeakPolarHBondContact CB-OH 3.47Å; A229-Y286 PolarHBondContact O-OH 3.33Å; A229-Y286 VanDerWaalsContact O-OH 3.1Å; M232-Y286 HydrophobicContact CB-CD1 4.06Å; M232-Y286 HydrophobicContact CB-CE1 3.54Å; M232-Y286 HydrophobicContact CB-CE2 4.04Å; M232-Y286 HydrophobicContact CE-CD1 3.99Å; M232-Y286 HydrophobicContact CE-CD2 4.29Å; M232-Y286 HydrophobicContact CE-CG 3.82Å; M232-Y286 HydrophobicContact CG-CD2 4.46Å; M232-Y286 HydrophobicContact CG-CE1 4.44Å; M232-Y286 HydrophobicContact CG-CE2 4.23Å; Y241-Y286 AromaticContact CE2-CD1 3.87Å; Y241-Y286 HydrophobicContact CE2-CD1 3.87Å; Y241-Y286 AromaticContact CZ-CD1 3.68Å; Y241-Y286 VanDerWaalsContact OH-CD1 3.29Å; Y241-Y286 WeakPolarHBondContact OH-CD1 3.32Å; Y241-Y286 VanDerWaalsContact OH-CE1 3.3Å; Y241-Y286 WeakPolarHBondContact OH-CE1 3.39Å; I277-Y286 HydrophobicContact CG2-CD2 4.29Å; K278-Y286 CarbonylContact O-C 3.49Å; K278-Y286 VanDerWaalsContact O-CA 3.24Å; K278-Y286 WeakPolarHBondContact O-CA 3.39Å; K278-Y286 WeakPolarHBondContact O-CB 3.44Å; Y286-I288 HydrophobicContact CD2-CD1 4.46Å; Y286-I288 HydrophobicContact CD2-CG1 3.88Å; Y286-I288 HydrophobicContact CE2-CD1 3.91Å; Y286-I288 HydrophobicContact CE2-CG1 3.83Å; Y286-T339 HydrophobicContact CD1-CG2 4.33Å; Y286-T339 WeakPolarHBondContact CD1-OG1 3.48Å; Y286-T339 HydrophobicContact CD2-CG2 4.2Å; Y286-T339 HydrophobicContact CE1-CG2 3.71Å; Y286-T339 VanDerWaalsContact CE1-OG1 3.32Å; Y286-T339 WeakPolarHBondContact CE1-OG1 3.49Å; Y286-T339 HydrophobicContact CE2-CG2 3.55Å; Y286-T339 PolarHBondContact N-OG1 2.81Å; Y286-T339 PolarHBondContact O-N 3.23Å; Y286-T339 VanDerWaalsContact O-N 3.11Å; Y286-T339 PolarHBondContact O-OG1 2.82Å; Y286-T339 WeakPolarHBondContact OH-CG2 3.4Å
287V90.9Very high86.7Confident23 Ų2349.9 Ų49.914%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-121.1121.1178.9-173.10000108.3I277 K278 E289 K336 L337 E338I277-V287 WeakPolarHBondContact CA-O 3.39Å; K278-V287 PolarHBondContact N-O 3.36Å; K278-V287 PolarHBondContact O-N 2.89Å; V287-E289 HydrophobicContact CG1-CG 4.14Å; V287-K336 HydrophobicContact CG1-CB 4.16Å; V287-L337 CarbonylContact C-O 3.6Å; V287-L337 VanDerWaalsContact CA-O 3.3Å; V287-L337 WeakPolarHBondContact CA-O 3.5Å; V287-E338 HydrophobicContact CG1-CG 4.17Å; V287-E338 HydrophobicContact CG2-CB 4.49Å; V287-E338 HydrophobicContact CG2-CG 3.97Å
288I92Very high86.8Confident0 Ų049.2 Ų49.20%025%0.254CS..EExtended strand (participates in β ladder)trans-94.7119.2169.9-50.2178.6000107.9L225 I228 V275 T276 I277 Y286 F311 K336 L337L225-I288 HydrophobicContact CD2-CD1 4.47Å; L225-I288 HydrophobicContact CD2-CG2 3.89Å; I228-I288 HydrophobicContact CB-CD1 4.15Å; I228-I288 HydrophobicContact CG2-CD1 3.55Å; I228-I288 HydrophobicContact CG2-CG1 4.35Å; V275-I288 HydrophobicContact CG1-CG2 3.84Å; T276-I288 CarbonylContact O-C 3.58Å; T276-I288 WeakPolarHBondContact O-CA 3.32Å; I277-I288 HydrophobicContact CG1-CG1 4.33Å; I277-I288 HydrophobicContact CG1-CG2 4.37Å; Y286-I288 HydrophobicContact CD2-CD1 4.46Å; Y286-I288 HydrophobicContact CD2-CG1 3.88Å; Y286-I288 HydrophobicContact CE2-CD1 3.91Å; Y286-I288 HydrophobicContact CE2-CG1 3.83Å; I288-F311 HydrophobicContact CD1-CE1 4.06Å; I288-F311 HydrophobicContact CD1-CZ 4.48Å; I288-K336 CarbonylContact O-C 3.56Å; I288-K336 WeakPolarHBondContact O-CA 3.45Å; I288-L337 HydrophobicContact CB-CB 4.34Å; I288-L337 PolarHBondContact N-O 2.91Å; I288-L337 PolarHBondContact O-N 3.34Å
289E93.6Very high86.8Confident28 Ų2846.9 Ų46.913%0.13125%0.246CC..EExtended strand (participates in β ladder)trans-104.9113.6174-54.3-173138.100109.3V275 T276 K278 V287 I335 K336V275-E289 CarbonylContact C-O 3.55Å; V275-E289 VanDerWaalsContact CA-O 3.29Å; V275-E289 WeakPolarHBondContact CA-O 3.49Å; T276-E289 PolarHBondContact N-O 2.88Å; T276-E289 PolarHBondContact O-N 3.2Å; K278-E289 IonicContact NZ-OE2 3.89Å; K278-E289 PolarHBondContact NZ-OE2 3.47Å; V287-E289 HydrophobicContact CG1-CG 4.14Å; E289-I335 CarbonylContact C-O 3.58Å; E289-I335 WeakPolarHBondContact CA-O 2.82Å; E289-K336 HydrophobicContact CG-CD 4.28Å; E289-K336 HydrophobicContact CG-CG 4.04Å; E289-K336 VanDerWaalsContact OE1-CD 3.31Å; E289-K336 WeakPolarHBondContact OE1-CD 3.34Å; E289-K336 WeakPolarHBondContact OE1-CE 3.48Å; E289-K336 IonicContact OE1-NZ 2.95Å; E289-K336 PolarHBondContact OE1-NZ 3.18Å
290S92.9Very high87Confident2 Ų247.8 Ų47.81%0.01425%0.25CS..EExtended strand (participates in β ladder)trans-105.6113.7175.2-171.30000109.4E221 N269 T334 I335E221-S290 PolarHBondContact OE1-OG 3.41Å; N269-S290 WeakPolarHBondContact CB-OG 3.24Å; N269-S290 PolarHBondContact ND2-OG 3.33Å; S290-T334 CarbonylContact O-C 3.56Å; S290-T334 WeakPolarHBondContact O-CA 2.98Å; S290-I335 PolarHBondContact N-O 3.06Å; S290-I335 PolarHBondContact O-N 3Å
291S93.2Very high87.3Confident34 Ų3446.4 Ų46.424%0.23824%0.24CC..EExtended strand (participates in β ladder)trans-91.6159.5-172.4-54.10000112.4N269 G273 A274 V293N269-S291 PolarHBondContact ND2-O 2.95Å; G273-S291 WeakPolarHBondContact CA-O 3.31Å; A274-S291 WeakPolarHBondContact O-CB 3.06Å; A274-S291 PolarHBondContact O-N 2.9Å; A274-S291 PolarHBondContact O-OG 2.75Å; S291-V293 VanDerWaalsContact C-N 3.33Å; S291-V293 PolarHBondContact O-N 2.87Å
292N91.3Very high87.8Confident56 Ų5640.1 Ų40.130%0.29920%0.196SC..EExtended strand (participates in β ladder)trans59.336.1168.1-167.347000114.5K332 T333N292-K332 WeakPolarHBondContact OD1-CD 3.36Å; N292-K332 WeakPolarHBondContact OD1-CE 3.44Å; N292-K332 VanDerWaalsContact OD1-CG 3.24Å; N292-K332 WeakPolarHBondContact OD1-CG 3.39Å; N292-K332 PolarHBondContact OD1-NZ 3.43Å; N292-K332 VanDerWaalsContact OD1-NZ 3.13Å; N292-T333 PolarHBondContact N-O 2.77Å
293V91.6Very high88.4Confident0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-80.2122.5177.2-175.50000109.7W271 S291 N297 C298 K332 T333 I335W271-V293 HydrophobicContact CD2-CG1 4.48Å; W271-V293 HydrophobicContact CE3-CB 4.3Å; W271-V293 HydrophobicContact CE3-CG1 3.89Å; W271-V293 HydrophobicContact CE3-CG2 4.03Å; W271-V293 HydrophobicContact CH2-CG1 4.1Å; W271-V293 HydrophobicContact CZ3-CB 4.36Å; W271-V293 HydrophobicContact CZ3-CG1 3.66Å; W271-V293 HydrophobicContact CZ3-CG2 3.98Å; S291-V293 VanDerWaalsContact C-N 3.33Å; S291-V293 PolarHBondContact O-N 2.87Å; V293-N297 HydrophobicContact CG1-CB 4.4Å; V293-C298 HydrophobicContact CB-CB 4.44Å; V293-C298 HydrophobicContact CG1-CB 3.84Å; V293-K332 WeakPolarHBondContact O-CA 3.29Å; V293-T333 PolarHBondContact N-O 2.87Å; V293-T333 PolarHBondContact O-N 3.26Å; V293-I335 HydrophobicContact CB-CD1 4.11Å; V293-I335 HydrophobicContact CG1-CD1 4.03Å; V293-I335 HydrophobicContact CG2-CD1 3.99Å; V293-I335 HydrophobicContact CG2-CG1 4.3Å
294P91.2Very high88.9Confident40 Ų4036.9 Ų36.926%0.2619%0.189SC..EExtended strand (participates in β ladder)trans-60.2143.4179.8-23.833.8000112.7W271 K296 N297 C298 D331W271-P294 HydrophobicContact CB-CG 4.35Å; W271-P294 VanDerWaalsContact CG-CD 3.47Å; W271-P294 HydrophobicContact CG-CG 3.93Å; P294-K296 PolarHBondContact O-N 2.9Å; P294-N297 HydrophobicContact CB-CB 4.34Å; P294-N297 CarbonylContact O-C 3.42Å; P294-N297 PolarHBondContact O-N 2.91Å; P294-C298 WeakPolarHBondContact O-CB 3.45Å; P294-C298 PolarHBondContact O-N 2.8Å; P294-D331 CarbonylContact C-O 3.59Å; P294-D331 WeakPolarHBondContact CA-O 3.17Å
295K88.5Confident89.4Confident96 Ų9631.9 Ų31.942%0.41717%0.169SC..Hα-helixtrans-49.2-49.2-174.6-173.6171.6-177.3172.10114.8C298 I299 C328 D331K295-C298 WeakPolarHBondContact O-CB 3.16Å; K295-C298 PolarHBondContact O-N 2.71Å; K295-I299 HydrophobicContact CG-CD1 4.43Å; K295-I299 WeakPolarHBondContact O-CG1 3.27Å; K295-I299 PolarHBondContact O-N 2.78Å; K295-I299 VanDerWaalsContact O-N 3.09Å; K295-C328 WeakPolarHBondContact CE-O 3.3Å; K295-D331 PolarHBondContact N-O 2.89Å
296K86.2Confident89.5Confident127 Ų12735.9 Ų35.955%0.55218%0.183SC*.Hα-helixtrans-57.6-52.3178.1-178.1-179.5177.1-178.60110.8P294 C298 I299 D300P294-K296 PolarHBondContact O-N 2.9Å; K296-C298 VanDerWaalsContact C-N 3.32Å; K296-C298 PolarHBondContact O-N 2.87Å; K296-I299 PolarHBondContact O-N 2.82Å; K296-D300 PolarHBondContact O-N 2.88Å
297N87.8Confident89.1Confident23 Ų2340 Ų4012%0.12321%0.212CC..Hα-helixtrans-65.3-34.6-179.9-65.763.6000112.5N218 W271 V293 P294 D300 L301N218-N297 WeakPolarHBondContact OD1-CA 3.41Å; N218-N297 WeakPolarHBondContact OD1-CB 3.4Å; N218-N297 PolarHBondContact OD1-ND2 2.96Å; W271-N297 HydrophobicContact CH2-CB 4.37Å; W271-N297 HydrophobicContact CZ2-CB 3.65Å; W271-N297 PolarHBondContact NE1-ND2 3.11Å; V293-N297 HydrophobicContact CG1-CB 4.4Å; P294-N297 HydrophobicContact CB-CB 4.34Å; P294-N297 CarbonylContact O-C 3.42Å; P294-N297 PolarHBondContact O-N 2.91Å; N297-D300 PolarHBondContact O-N 3.36Å; N297-L301 WeakPolarHBondContact O-CB 3.43Å; N297-L301 PolarHBondContact O-N 3.36Å
298C90.7Very high88.4Confident0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-62.6-47.5175.7-178.80000110.8V293 P294 K295 K296 D300 L301 V302 C328 I335V293-C298 HydrophobicContact CB-CB 4.44Å; V293-C298 HydrophobicContact CG1-CB 3.84Å; P294-C298 WeakPolarHBondContact O-CB 3.45Å; P294-C298 PolarHBondContact O-N 2.8Å; K295-C298 WeakPolarHBondContact O-CB 3.16Å; K295-C298 PolarHBondContact O-N 2.71Å; K296-C298 VanDerWaalsContact C-N 3.32Å; K296-C298 PolarHBondContact O-N 2.87Å; C298-D300 VanDerWaalsContact C-N 3.34Å; C298-D300 PolarHBondContact O-N 2.8Å; C298-L301 PolarHBondContact O-N 3.08Å; C298-V302 WeakPolarHBondContact O-CB 3.32Å; C298-V302 VanDerWaalsContact O-CG2 3.26Å; C298-V302 WeakPolarHBondContact O-CG2 3.28Å; C298-V302 PolarHBondContact O-N 2.94Å; C298-C328 HydrophobicContact CB-CB 3.65Å; C298-C328 WeakPolarHBondContact CB-SG 3.46Å; C298-C328 PolarHBondContact O-SG 3.28Å; C298-C328 VanDerWaalsContact O-SG 3.37Å; C298-C328 WeakPolarHBondContact SG-CB 3.23Å; C298-C328 CovalentContact SG-SG 2.03Å; C298-C328 PolarHBondContact SG-SG 2.72Å; C298-I335 HydrophobicContact CB-CD1 4.33Å
299I89.3Confident87.8Confident61 Ų6145.5 Ų45.531%0.31325%0.252SS..Hα-helixtrans-59.9-47.2179.4-69169.5000110.3K295 K296 T303 P324 C328K295-I299 HydrophobicContact CG-CD1 4.43Å; K295-I299 WeakPolarHBondContact O-CG1 3.27Å; K295-I299 PolarHBondContact O-N 2.78Å; K295-I299 VanDerWaalsContact O-N 3.09Å; K296-I299 PolarHBondContact O-N 2.82Å; I299-T303 VanDerWaalsContact O-CB 3.3Å; I299-T303 WeakPolarHBondContact O-CB 3.42Å; I299-T303 PolarHBondContact O-N 3.48Å; I299-T303 PolarHBondContact O-OG1 3.3Å; I299-P324 HydrophobicContact CB-CB 4.43Å; I299-P324 HydrophobicContact CG2-CB 4.03Å; I299-C328 HydrophobicContact CG1-CB 3.76Å; I299-C328 PolarHBondContact N-SG 3.1Å; I299-C328 VanDerWaalsContact N-SG 3.42Å
300D86.4Confident87.3Confident62 Ų6247.3 Ų47.333%0.33226%0.261SS..Hα-helixtrans-65.2-42.8179.2-67.3-21.7000112.4N218 K296 N297 C298 T303 S304N218-D300 WeakPolarHBondContact ND2-CB 3.27Å; N218-D300 PolarHBondContact ND2-OD2 3.24Å; N218-D300 VanDerWaalsContact ND2-OD2 3.1Å; K296-D300 PolarHBondContact O-N 2.88Å; N297-D300 PolarHBondContact O-N 3.36Å; C298-D300 VanDerWaalsContact C-N 3.34Å; C298-D300 PolarHBondContact O-N 2.8Å; D300-T303 PolarHBondContact O-N 3Å; D300-S304 WeakPolarHBondContact O-CB 3.2Å; D300-S304 PolarHBondContact O-N 3.3Å; D300-S304 PolarHBondContact O-OG 3.31Å
301L88.5Confident86.9Confident1 Ų147.4 Ų47.41%0.00526%0.262CS..Hα-helixtrans-67.2-46.9-179.9-176.865.4000110.9E221 L222 L225 W271 N297 C298 T303 S304 L305 I335E221-L301 HydrophobicContact CB-CD1 4.48Å; E221-L301 HydrophobicContact CG-CD1 4.31Å; E221-L301 HydrophobicContact CG-CD2 3.97Å; L222-L301 HydrophobicContact CB-CD1 4.12Å; L222-L301 HydrophobicContact CD1-CD1 4.42Å; L225-L301 HydrophobicContact CD1-CD1 4.38Å; L225-L301 HydrophobicContact CD1-CD2 4.28Å; W271-L301 HydrophobicContact CH2-CD2 4.09Å; W271-L301 HydrophobicContact CZ3-CD2 4.24Å; N297-L301 WeakPolarHBondContact O-CB 3.43Å; N297-L301 PolarHBondContact O-N 3.36Å; C298-L301 PolarHBondContact O-N 3.08Å; L301-T303 VanDerWaalsContact C-N 3.34Å; L301-T303 PolarHBondContact O-N 3.39Å; L301-S304 PolarHBondContact O-N 3.02Å; L301-L305 HydrophobicContact CD1-CD1 4.2Å; L301-L305 HydrophobicContact CD1-CG 4.4Å; L301-L305 HydrophobicContact CD2-CD1 4.47Å; L301-L305 HydrophobicContact CG-CD1 3.83Å; L301-L305 HydrophobicContact CG-CG 4.43Å; L301-L305 WeakPolarHBondContact O-CB 3.23Å; L301-L305 VanDerWaalsContact O-CG 3.23Å; L301-L305 WeakPolarHBondContact O-CG 3.28Å; L301-L305 PolarHBondContact O-N 2.66Å; L301-I335 HydrophobicContact CD2-CD1 3.96Å
302V90Very high86.7Confident0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-59.5-48.4175.7172.50000109.5C298 S304 L305 R306 I314 V322 P324 V327 I335C298-V302 WeakPolarHBondContact O-CB 3.32Å; C298-V302 VanDerWaalsContact O-CG2 3.26Å; C298-V302 WeakPolarHBondContact O-CG2 3.28Å; C298-V302 PolarHBondContact O-N 2.94Å; V302-S304 VanDerWaalsContact C-N 3.27Å; V302-S304 PolarHBondContact O-N 3.28Å; V302-L305 PolarHBondContact O-N 3.39Å; V302-R306 WeakPolarHBondContact O-CG 3.24Å; V302-R306 PolarHBondContact O-N 3.1Å; V302-I314 HydrophobicContact CG1-CD1 4.39Å; V302-I314 HydrophobicContact CG1-CG2 4.3Å; V302-I314 HydrophobicContact CG2-CG2 4.18Å; V302-V322 HydrophobicContact CG1-CG1 3.78Å; V302-P324 HydrophobicContact CB-CB 4.2Å; V302-P324 HydrophobicContact CG1-CB 4.05Å; V302-P324 HydrophobicContact CG1-CG 4.1Å; V302-V327 HydrophobicContact CG2-CB 4.44Å; V302-V327 HydrophobicContact CG2-CG1 4.03Å; V302-I335 HydrophobicContact CG2-CD1 4.23Å
303T88.6Confident86.6Confident71 Ų7149.5 Ų49.544%0.43627%0.268SS..Hα-helixtrans-55.4-43.7177.5-57.40000111.8I299 D300 L301 R306 P324I299-T303 VanDerWaalsContact O-CB 3.3Å; I299-T303 WeakPolarHBondContact O-CB 3.42Å; I299-T303 PolarHBondContact O-N 3.48Å; I299-T303 PolarHBondContact O-OG1 3.3Å; D300-T303 PolarHBondContact O-N 3Å; L301-T303 VanDerWaalsContact C-N 3.34Å; L301-T303 PolarHBondContact O-N 3.39Å; T303-R306 WeakPolarHBondContact O-CB 3.31Å; T303-R306 PolarHBondContact O-N 2.9Å; T303-P324 VanDerWaalsContact OG1-CG 3.28Å; T303-P324 WeakPolarHBondContact OG1-CG 3.04Å
304S86Confident86.5Confident28 Ų2849.5 Ų49.520%0.19627%0.268CS..Hα-helixtrans-69.1-33.4177.1-57.60000113D300 L301 V302 S307D300-S304 WeakPolarHBondContact O-CB 3.2Å; D300-S304 PolarHBondContact O-N 3.3Å; D300-S304 PolarHBondContact O-OG 3.31Å; L301-S304 PolarHBondContact O-N 3.02Å; V302-S304 VanDerWaalsContact C-N 3.27Å; V302-S304 PolarHBondContact O-N 3.28Å; S304-S307 PolarHBondContact O-OG 2.76Å
305L87.4Confident86.4Confident0 Ų050.3 Ų50.30%027%0.27CS..Hα-helixtrans-75.3-23.5177.9-72.2167000112.8L222 L225 L301 V302 S307 S308 F311 I314 L337L222-L305 HydrophobicContact CD1-CD2 3.53Å; L222-L305 HydrophobicContact CD1-CG 3.92Å; L225-L305 HydrophobicContact CD1-CD1 4.38Å; L301-L305 HydrophobicContact CD1-CD1 4.2Å; L301-L305 HydrophobicContact CD1-CG 4.4Å; L301-L305 HydrophobicContact CD2-CD1 4.47Å; L301-L305 HydrophobicContact CG-CD1 3.83Å; L301-L305 HydrophobicContact CG-CG 4.43Å; L301-L305 WeakPolarHBondContact O-CB 3.23Å; L301-L305 VanDerWaalsContact O-CG 3.23Å; L301-L305 WeakPolarHBondContact O-CG 3.28Å; L301-L305 PolarHBondContact O-N 2.66Å; V302-L305 PolarHBondContact O-N 3.39Å; L305-S307 PolarHBondContact O-N 3.34Å; L305-S308 WeakPolarHBondContact O-CB 3.46Å; L305-S308 PolarHBondContact O-N 2.96Å; L305-F311 HydrophobicContact CD2-CD2 3.74Å; L305-F311 HydrophobicContact CD2-CE2 3.52Å; L305-I314 HydrophobicContact CB-CD1 3.81Å; L305-L337 HydrophobicContact CD1-CD1 3.95Å; L305-L337 HydrophobicContact CD1-CD2 3.72Å; L305-L337 HydrophobicContact CD2-CD1 4.49Å
306R85.8Confident86.3Confident95 Ų9547.5 Ų47.536%0.35827%0.269SS..THydrogen-bonded Turntrans-57.7-31.2175.6-66.5-179.165.3171.4-0.6113V302 T303 T319 N320 V322V302-R306 WeakPolarHBondContact O-CG 3.24Å; V302-R306 PolarHBondContact O-N 3.1Å; T303-R306 WeakPolarHBondContact O-CB 3.31Å; T303-R306 PolarHBondContact O-N 2.9Å; R306-T319 WeakPolarHBondContact CA-O 3.24Å; R306-T319 WeakPolarHBondContact CB-O 3.2Å; R306-T319 VanDerWaalsContact CG-O 3.28Å; R306-T319 WeakPolarHBondContact CG-O 3.46Å; R306-N320 PolarHBondContact NH2-O 2.71Å; R306-V322 WeakPolarHBondContact CD-O 3.38Å; R306-V322 HydrophobicContact CG-CG1 3.77Å; R306-V322 PolarHBondContact NE-O 3.25Å; R306-V322 PolarHBondContact NH1-O 2.66Å; R306-V322 VanDerWaalsContact NH1-O 3.09Å
307S79.6Confident86.4Confident92 Ų9245 Ų4564%0.64326%0.261SS*.THydrogen-bonded Turntrans-86.6-10178.164.70000113.1S304 L305 S309S304-S307 PolarHBondContact O-OG 2.76Å; L305-S307 PolarHBondContact O-N 3.34Å; S307-S309 PolarHBondContact O-N 2.89Å
308S76.4Confident86.4Confident14 Ų1447.5 Ų47.510%0.09828%0.277CS..  trans-78.4123.3178.2-171.70000110.9L305 M310L305-S308 WeakPolarHBondContact O-CB 3.46Å; L305-S308 PolarHBondContact O-N 2.96Å; S308-M310 PolarHBondContact O-N 3.43Å; S308-M310 PolarHBondContact OG-N 3.45Å
309S79.1Confident86Confident126 Ų12648.2 Ų48.288%0.88128%0.281SS*.THydrogen-bonded Turntrans-76.3-1171.857.50000113.7S307S307-S309 PolarHBondContact O-N 2.89Å
310M81.6Confident85.7Confident66 Ų6650 Ų5033%0.32529%0.292SS..THydrogen-bonded Turntrans-79-25.9-178.1-63.7-169.3-173.400113.2Q226 A229 T230 S308 T339Q226-M310 HydrophobicContact CB-CE 4.13Å; Q226-M310 HydrophobicContact CB-SD 3.9Å; Q226-M310 HydrophobicContact CG-CE 4.32Å; Q226-M310 HydrophobicContact CG-SD 3.96Å; A229-M310 HydrophobicContact CB-CB 4.21Å; A229-M310 HydrophobicContact CB-SD 3.78Å; T230-M310 WeakPolarHBondContact OG1-CE 3.31Å; S308-M310 PolarHBondContact O-N 3.43Å; S308-M310 PolarHBondContact OG-N 3.45Å; M310-T339 WeakPolarHBondContact O-CG2 3.25Å
311F86.3Confident85.6Confident4 Ų455.2 Ų55.22%0.01831%0.311CS..  trans-113.4138.8-176.7-54.5-71.2000109.8L225 A229 I288 L305 T319 L337 E338 T339L225-F311 HydrophobicContact CB-CZ 4.29Å; A229-F311 HydrophobicContact CB-CE1 4.05Å; A229-F311 HydrophobicContact CB-CZ 3.88Å; I288-F311 HydrophobicContact CD1-CE1 4.06Å; I288-F311 HydrophobicContact CD1-CZ 4.48Å; L305-F311 HydrophobicContact CD2-CD2 3.74Å; L305-F311 HydrophobicContact CD2-CE2 3.52Å; F311-T319 HydrophobicContact CB-CG2 3.86Å; F311-T319 WeakPolarHBondContact O-CG2 3.45Å; F311-T319 PolarHBondContact O-OG1 2.86Å; F311-T319 VanDerWaalsContact O-OG1 3.04Å; F311-L337 HydrophobicContact CD1-CB 3.63Å; F311-L337 HydrophobicContact CD1-CD1 4.47Å; F311-L337 HydrophobicContact CE1-CB 3.82Å; F311-L337 HydrophobicContact CE1-CD1 4.1Å; F311-L337 HydrophobicContact CE2-CD1 4.34Å; F311-L337 HydrophobicContact CG-CB 4.21Å; F311-L337 HydrophobicContact CZ-CD1 4.03Å; F311-E338 CarbonylContact C-O 3.55Å; F311-E338 WeakPolarHBondContact CA-O 3.41Å; F311-T339 HydrophobicContact CD1-CG2 4Å; F311-T339 HydrophobicContact CE1-CG2 4.38Å
312T87.3Confident85.4Confident50 Ų5055.2 Ų55.231%0.30731%0.312SS..SBendtrans-94.9-33.9177.350.60000112.4V318 T319 E338 T339 N340T312-V318 WeakPolarHBondContact O-CA 3.3Å; T312-T319 VanDerWaalsContact C-CG2 3.45Å; T312-T319 PolarHBondContact O-N 3.27Å; T312-T319 VanDerWaalsContact O-N 3.08Å; T312-E338 PolarHBondContact N-O 2.99Å; T312-E338 PolarHBondContact OG1-O 3.31Å; T312-E338 VanDerWaalsContact OG1-O 3.08Å; T312-T339 VanDerWaalsContact OG1-C 3.31Å; T312-T339 PolarHBondContact OG1-O 2.91Å; T312-N340 HydrophobicContact CG2-CB 3.66Å
313K89.3Confident85.4Confident84 Ų8458.9 Ų58.937%0.36533%0.331SS..EExtended strand (participates in β ladder)trans-138.3147.2177.3-60.3169.4-179173.50112.9N317 E338K313-N317 CarbonylContact C-O 3.6Å; K313-N317 WeakPolarHBondContact CA-O 3.44Å; K313-N317 WeakPolarHBondContact CB-O 3.32Å; K313-E338 HydrophobicContact CB-CB 4.09Å; K313-E338 HydrophobicContact CB-CG 4.26Å; K313-E338 VanDerWaalsContact CD-OE2 3.28Å; K313-E338 WeakPolarHBondContact CD-OE2 3.2Å; K313-E338 PolarHBondContact N-O 3.09Å; K313-E338 IonicContact NZ-OE2 3.99Å; K313-E338 PolarHBondContact O-N 2.77Å
314I90.1Very high85.3Confident0 Ų056.1 Ų56.10%032%0.315CS..EExtended strand (participates in β ladder)trans-120.2117.1170.8-64.8159.9000106.9V302 L305 G316 N317 T319 V322 V327 I335 K336 L337V302-I314 HydrophobicContact CG1-CD1 4.39Å; V302-I314 HydrophobicContact CG1-CG2 4.3Å; V302-I314 HydrophobicContact CG2-CG2 4.18Å; L305-I314 HydrophobicContact CB-CD1 3.81Å; I314-G316 PolarHBondContact O-N 2.9Å; I314-N317 PolarHBondContact N-O 3.33Å; I314-N317 WeakPolarHBondContact O-CB 3.44Å; I314-N317 PolarHBondContact O-N 3.27Å; I314-T319 HydrophobicContact CD1-CG2 3.78Å; I314-T319 HydrophobicContact CG1-CG2 3.69Å; I314-V322 HydrophobicContact CB-CG1 4.25Å; I314-V322 HydrophobicContact CB-CG2 4.47Å; I314-V322 HydrophobicContact CD1-CG1 3.88Å; I314-V327 HydrophobicContact CG2-CG1 4.38Å; I314-V327 HydrophobicContact CG2-CG2 4.37Å; I314-I335 HydrophobicContact CG2-CG2 4.11Å; I314-K336 CarbonylContact C-O 3.56Å; I314-K336 WeakPolarHBondContact CA-O 3.09Å; I314-L337 HydrophobicContact CB-CD2 4.39Å; I314-L337 HydrophobicContact CG1-CD2 3.69Å; I314-L337 HydrophobicContact CG2-CD2 4.27Å
315N89.8Confident85.3Confident56 Ų5658 Ų5830%0.29933%0.328SS..THydrogen-bonded Turntrans48.342.3-172.6-75.124.4000113N317 V327 T334 I335 K336N315-N317 PolarHBondContact O-N 3.38Å; N315-V327 HydrophobicContact CB-CG1 4.29Å; N315-V327 HydrophobicContact CB-CG2 4.31Å; N315-T334 PolarHBondContact ND2-O 2.7Å; N315-I335 WeakPolarHBondContact OD1-CA 3.09Å; N315-K336 PolarHBondContact N-O 3.5Å; N315-K336 PolarHBondContact OD1-N 3.02Å
316G86.3Confident85.4Confident38 Ų3861.9 Ų61.939%0.39235%0.351SS..THydrogen-bonded Turntrans81-14-17900000115.5I314I314-G316 PolarHBondContact O-N 2.9Å
317N88.5Confident85.5Confident74 Ų7457.7 Ų57.740%0.39634%0.336SS..EExtended strand (participates in β ladder)trans-86.4141.6177.2-67.8-45.6000111.4K313 I314 N315 T319 V322K313-N317 CarbonylContact C-O 3.6Å; K313-N317 WeakPolarHBondContact CA-O 3.44Å; K313-N317 WeakPolarHBondContact CB-O 3.32Å; I314-N317 PolarHBondContact N-O 3.33Å; I314-N317 WeakPolarHBondContact O-CB 3.44Å; I314-N317 PolarHBondContact O-N 3.27Å; N315-N317 PolarHBondContact O-N 3.38Å; N317-T319 PolarHBondContact O-N 3.49Å; N317-V322 HydrophobicContact CB-CB 3.89Å; N317-V322 HydrophobicContact CB-CG2 3.69Å
318V86.8Confident86Confident75 Ų7553.3 Ų53.346%0.45531%0.306SS..EExtended strand (participates in β ladder)trans-58.5130.3177-171.60000110.1T312 N320 K321 V322T312-V318 WeakPolarHBondContact O-CA 3.3Å; V318-N320 VanDerWaalsContact C-N 3.31Å; V318-N320 WeakPolarHBondContact CG1-OD1 2.96Å; V318-N320 PolarHBondContact O-N 3.02Å; V318-K321 PolarHBondContact O-N 2.91Å; V318-V322 PolarHBondContact O-N 3.21Å
319T83.5Confident86.5Confident15 Ų1558.3 Ų58.39%0.09233%0.332CS..THydrogen-bonded Turntrans-55.1-38.3-169.346.60000114.9R306 F311 T312 I314 N317 K321 V322R306-T319 WeakPolarHBondContact CA-O 3.24Å; R306-T319 WeakPolarHBondContact CB-O 3.2Å; R306-T319 VanDerWaalsContact CG-O 3.28Å; R306-T319 WeakPolarHBondContact CG-O 3.46Å; F311-T319 HydrophobicContact CB-CG2 3.86Å; F311-T319 WeakPolarHBondContact O-CG2 3.45Å; F311-T319 PolarHBondContact O-OG1 2.86Å; F311-T319 VanDerWaalsContact O-OG1 3.04Å; T312-T319 VanDerWaalsContact C-CG2 3.45Å; T312-T319 PolarHBondContact O-N 3.27Å; T312-T319 VanDerWaalsContact O-N 3.08Å; I314-T319 HydrophobicContact CD1-CG2 3.78Å; I314-T319 HydrophobicContact CG1-CG2 3.69Å; N317-T319 PolarHBondContact O-N 3.49Å; T319-K321 VanDerWaalsContact C-N 3.31Å; T319-K321 PolarHBondContact O-N 3.29Å; T319-V322 WeakPolarHBondContact O-CG1 3.3Å
320N81.8Confident86.9Confident99 Ų9954.3 Ų54.353%0.52931%0.306SS..THydrogen-bonded Turntrans-75.3-18.517961.2-1.8000114R306 V318R306-N320 PolarHBondContact NH2-O 2.71Å; V318-N320 VanDerWaalsContact C-N 3.31Å; V318-N320 WeakPolarHBondContact CG1-OD1 2.96Å; V318-N320 PolarHBondContact O-N 3.02Å
321K84.1Confident87.1Confident171 Ų17157.5 Ų57.574%0.74332%0.324SS*.THydrogen-bonded Turntrans-108.9-6.5-175.9-70.6-179.5-177.2-173.60114.1V318 T319 D323V318-K321 PolarHBondContact O-N 2.91Å; T319-K321 VanDerWaalsContact C-N 3.31Å; T319-K321 PolarHBondContact O-N 3.29Å; K321-D323 PolarHBondContact O-N 3.15Å
322V86.3Confident87.2Confident2 Ų263.6 Ų63.61%0.01235%0.351CS..  trans-67.4129.8-177.971.60000110.9V302 R306 I314 N317 V318 T319 P324 V327V302-V322 HydrophobicContact CG1-CG1 3.78Å; R306-V322 WeakPolarHBondContact CD-O 3.38Å; R306-V322 HydrophobicContact CG-CG1 3.77Å; R306-V322 PolarHBondContact NE-O 3.25Å; R306-V322 PolarHBondContact NH1-O 2.66Å; R306-V322 VanDerWaalsContact NH1-O 3.09Å; I314-V322 HydrophobicContact CB-CG1 4.25Å; I314-V322 HydrophobicContact CB-CG2 4.47Å; I314-V322 HydrophobicContact CD1-CG1 3.88Å; N317-V322 HydrophobicContact CB-CB 3.89Å; N317-V322 HydrophobicContact CB-CG2 3.69Å; V318-V322 PolarHBondContact O-N 3.21Å; T319-V322 WeakPolarHBondContact O-CG1 3.3Å; V322-P324 WeakPolarHBondContact O-CD 3.29Å; V322-V327 HydrophobicContact CG2-CG2 3.3Å
323D88.5Confident87.4Confident77 Ų7761.7 Ų61.741%0.41234%0.339SS..  trans-84.4117.7169.7-177-23.8000108.6K321 S325 T326 V327K321-D323 PolarHBondContact O-N 3.15Å; D323-S325 PolarHBondContact O-N 3.49Å; D323-S325 VanDerWaalsContact O-N 3.15Å; D323-S325 WeakPolarHBondContact OD1-CB 3.32Å; D323-S325 PolarHBondContact OD1-N 3.09Å; D323-S325 PolarHBondContact OD1-OG 3.38Å; D323-S325 PolarHBondContact OD2-OG 3.2Å; D323-T326 HydrophobicContact CB-CG2 3.76Å; D323-T326 PolarHBondContact O-N 3.49Å; D323-T326 VanDerWaalsContact O-N 3.08Å; D323-T326 PolarHBondContact O-OG1 2.66Å; D323-V327 PolarHBondContact O-N 2.84Å
324P87.3Confident87.6Confident13 Ų1360.5 Ų60.58%0.08434%0.339CS..Hα-helixtrans-53.6-33.7179.1-24.533000113.6I299 V302 T303 V322 T326 V327 C328I299-P324 HydrophobicContact CB-CB 4.43Å; I299-P324 HydrophobicContact CG2-CB 4.03Å; V302-P324 HydrophobicContact CB-CB 4.2Å; V302-P324 HydrophobicContact CG1-CB 4.05Å; V302-P324 HydrophobicContact CG1-CG 4.1Å; T303-P324 VanDerWaalsContact OG1-CG 3.28Å; T303-P324 WeakPolarHBondContact OG1-CG 3.04Å; V322-P324 WeakPolarHBondContact O-CD 3.29Å; P324-T326 VanDerWaalsContact C-N 3.34Å; P324-T326 PolarHBondContact O-N 3.09Å; P324-V327 PolarHBondContact O-N 3.49Å; P324-C328 VanDerWaalsContact O-CB 3.22Å; P324-C328 WeakPolarHBondContact O-CB 3.41Å; P324-C328 PolarHBondContact O-N 2.9Å; P324-C328 PolarHBondContact O-SG 3.05Å
325S86.5Confident87.7Confident68 Ų6860.5 Ų60.548%0.47634%0.339SS..Hα-helixtrans-69.1-32.2-17969.50000112.8D323D323-S325 PolarHBondContact O-N 3.49Å; D323-S325 VanDerWaalsContact O-N 3.15Å; D323-S325 WeakPolarHBondContact OD1-CB 3.32Å; D323-S325 PolarHBondContact OD1-N 3.09Å; D323-S325 PolarHBondContact OD1-OG 3.38Å; D323-S325 PolarHBondContact OD2-OG 3.2Å
326T88.5Confident87.9Confident80 Ų8062 Ų6249%0.49134%0.343SS..Hα-helixtrans-72-33.8178.1650000112.1D323 P324D323-T326 HydrophobicContact CB-CG2 3.76Å; D323-T326 PolarHBondContact O-N 3.49Å; D323-T326 VanDerWaalsContact O-N 3.08Å; D323-T326 PolarHBondContact O-OG1 2.66Å; P324-T326 VanDerWaalsContact C-N 3.34Å; P324-T326 PolarHBondContact O-N 3.09Å
327V87.5Confident88.1Confident7 Ų760.3 Ų60.34%0.04233%0.325CS..Hα-helixtrans-77.2-46.8176.6176.60000110.3V302 I314 N315 V322 D323 P324 N329 T333V302-V327 HydrophobicContact CG2-CB 4.44Å; V302-V327 HydrophobicContact CG2-CG1 4.03Å; I314-V327 HydrophobicContact CG2-CG1 4.38Å; I314-V327 HydrophobicContact CG2-CG2 4.37Å; N315-V327 HydrophobicContact CB-CG1 4.29Å; N315-V327 HydrophobicContact CB-CG2 4.31Å; V322-V327 HydrophobicContact CG2-CG2 3.3Å; D323-V327 PolarHBondContact O-N 2.84Å; P324-V327 PolarHBondContact O-N 3.49Å; V327-N329 PolarHBondContact O-N 3.41Å; V327-T333 HydrophobicContact CG1-CG2 4.45Å; V327-T333 WeakPolarHBondContact O-CG2 3.36Å
328C90Very high88.2Confident1 Ų159.1 Ų59.11%0.00732%0.317CS..  trans-96.452.9-170.9-53.20000112.1K295 C298 I299 P324K295-C328 WeakPolarHBondContact CE-O 3.3Å; C298-C328 HydrophobicContact CB-CB 3.65Å; C298-C328 WeakPolarHBondContact CB-SG 3.46Å; C298-C328 PolarHBondContact O-SG 3.28Å; C298-C328 VanDerWaalsContact O-SG 3.37Å; C298-C328 WeakPolarHBondContact SG-CB 3.23Å; C298-C328 CovalentContact SG-SG 2.03Å; C298-C328 PolarHBondContact SG-SG 2.72Å; I299-C328 HydrophobicContact CG1-CB 3.76Å; I299-C328 PolarHBondContact N-SG 3.1Å; I299-C328 VanDerWaalsContact N-SG 3.42Å; P324-C328 VanDerWaalsContact O-CB 3.22Å; P324-C328 WeakPolarHBondContact O-CB 3.41Å; P324-C328 PolarHBondContact O-N 2.9Å; P324-C328 PolarHBondContact O-SG 3.05Å
329N87.3Confident88.2Confident119 Ų11956 Ų5664%0.63630%0.298SS*.  trans-82.5-24.9-175.164.23.5000113.6V327V327-N329 PolarHBondContact O-N 3.41Å
330A88.1Confident88Confident41 Ų4159.9 Ų59.934%0.33932%0.318SS..SBendtrans-98.8158.2179.500000112.3K332 T333A330-K332 PolarHBondContact O-N 2.86Å; A330-K332 VanDerWaalsContact O-N 3.16Å; A330-T333 PolarHBondContact O-OG1 3.01Å
331D85.4Confident87.3Confident134 Ų13459.6 Ų59.672%0.71732%0.324SS*.SBendtrans-54.7-34.2175.2-69.5-22.4000112.3P294 K295P294-D331 CarbonylContact C-O 3.59Å; P294-D331 WeakPolarHBondContact CA-O 3.17Å; K295-D331 PolarHBondContact N-O 2.89Å
332K89.3Confident87.5Confident132 Ų13254 Ų5457%0.57430%0.303SS*.EExtended strand (participates in β ladder)trans-133119176.1-75.3159.3158.8-153.30108.6N292 V293 A330N292-K332 WeakPolarHBondContact OD1-CD 3.36Å; N292-K332 WeakPolarHBondContact OD1-CE 3.44Å; N292-K332 VanDerWaalsContact OD1-CG 3.24Å; N292-K332 WeakPolarHBondContact OD1-CG 3.39Å; N292-K332 PolarHBondContact OD1-NZ 3.43Å; N292-K332 VanDerWaalsContact OD1-NZ 3.13Å; V293-K332 WeakPolarHBondContact O-CA 3.29Å; A330-K332 PolarHBondContact O-N 2.86Å; A330-K332 VanDerWaalsContact O-N 3.16Å
333T90.6Very high87.6Confident9 Ų956.7 Ų56.76%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-115.6144.9-175.1-62.40000110.3N292 V293 V327 A330 I335N292-T333 PolarHBondContact N-O 2.77Å; V293-T333 PolarHBondContact N-O 2.87Å; V293-T333 PolarHBondContact O-N 3.26Å; V327-T333 HydrophobicContact CG1-CG2 4.45Å; V327-T333 WeakPolarHBondContact O-CG2 3.36Å; A330-T333 PolarHBondContact O-OG1 3.01Å; T333-I335 HydrophobicContact CG2-CG1 4.41Å
334T93.2Very high87.5Confident60 Ų6055.6 Ų55.637%0.36831%0.313SS..EExtended strand (participates in β ladder)trans-94.5120.4166.1-61.70000109S290 N315S290-T334 CarbonylContact O-C 3.56Å; S290-T334 WeakPolarHBondContact O-CA 2.98Å; N315-T334 PolarHBondContact ND2-O 2.7Å
335I92.5Very high87.5Confident0 Ų058.1 Ų58.10%033%0.326CS..EExtended strand (participates in β ladder)trans-99.7126.7-179.9-55.4174.7000108.5E289 S290 V293 C298 L301 V302 I314 N315 T333 L337E289-I335 CarbonylContact C-O 3.58Å; E289-I335 WeakPolarHBondContact CA-O 2.82Å; S290-I335 PolarHBondContact N-O 3.06Å; S290-I335 PolarHBondContact O-N 3Å; V293-I335 HydrophobicContact CB-CD1 4.11Å; V293-I335 HydrophobicContact CG1-CD1 4.03Å; V293-I335 HydrophobicContact CG2-CD1 3.99Å; V293-I335 HydrophobicContact CG2-CG1 4.3Å; C298-I335 HydrophobicContact CB-CD1 4.33Å; L301-I335 HydrophobicContact CD2-CD1 3.96Å; V302-I335 HydrophobicContact CG2-CD1 4.23Å; I314-I335 HydrophobicContact CG2-CG2 4.11Å; N315-I335 WeakPolarHBondContact OD1-CA 3.09Å; T333-I335 HydrophobicContact CG2-CG1 4.41Å; I335-L337 HydrophobicContact CG2-CD2 3.69Å; I335-L337 HydrophobicContact CG2-CG 4.17Å
336K93.1Very high87.6Confident88 Ų8857.5 Ų57.538%0.38332%0.317SS..EExtended strand (participates in β ladder)trans-107.9122.3174.7-52.9-164.7-177.3-154.10109.2V287 I288 E289 I314 N315V287-K336 HydrophobicContact CG1-CB 4.16Å; I288-K336 CarbonylContact O-C 3.56Å; I288-K336 WeakPolarHBondContact O-CA 3.45Å; E289-K336 HydrophobicContact CG-CD 4.28Å; E289-K336 HydrophobicContact CG-CG 4.04Å; E289-K336 VanDerWaalsContact OE1-CD 3.31Å; E289-K336 WeakPolarHBondContact OE1-CD 3.34Å; E289-K336 WeakPolarHBondContact OE1-CE 3.48Å; E289-K336 IonicContact OE1-NZ 2.95Å; E289-K336 PolarHBondContact OE1-NZ 3.18Å; I314-K336 CarbonylContact C-O 3.56Å; I314-K336 WeakPolarHBondContact CA-O 3.09Å; N315-K336 PolarHBondContact N-O 3.5Å; N315-K336 PolarHBondContact OD1-N 3.02Å
337L92.3Very high87.5Confident1 Ų156 Ų561%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-113.3113.2-179.9-54176.6000108.8L225 V287 I288 L305 F311 I314 I335L225-L337 HydrophobicContact CD1-CD1 3.69Å; L225-L337 HydrophobicContact CD2-CD1 4.02Å; L225-L337 HydrophobicContact CG-CD1 4.3Å; V287-L337 CarbonylContact C-O 3.6Å; V287-L337 VanDerWaalsContact CA-O 3.3Å; V287-L337 WeakPolarHBondContact CA-O 3.5Å; I288-L337 HydrophobicContact CB-CB 4.34Å; I288-L337 PolarHBondContact N-O 2.91Å; I288-L337 PolarHBondContact O-N 3.34Å; L305-L337 HydrophobicContact CD1-CD1 3.95Å; L305-L337 HydrophobicContact CD1-CD2 3.72Å; L305-L337 HydrophobicContact CD2-CD1 4.49Å; F311-L337 HydrophobicContact CD1-CB 3.63Å; F311-L337 HydrophobicContact CD1-CD1 4.47Å; F311-L337 HydrophobicContact CE1-CB 3.82Å; F311-L337 HydrophobicContact CE1-CD1 4.1Å; F311-L337 HydrophobicContact CE2-CD1 4.34Å; F311-L337 HydrophobicContact CG-CB 4.21Å; F311-L337 HydrophobicContact CZ-CD1 4.03Å; I314-L337 HydrophobicContact CB-CD2 4.39Å; I314-L337 HydrophobicContact CG1-CD2 3.69Å; I314-L337 HydrophobicContact CG2-CD2 4.27Å; I335-L337 HydrophobicContact CG2-CD2 3.69Å; I335-L337 HydrophobicContact CG2-CG 4.17Å
338E90.4Very high87.5Confident50 Ų5059.5 Ų59.523%0.23432%0.324CS..EExtended strand (participates in β ladder)trans-100.9143.4-179.8-50.9179.1-161.800109.9V287 F311 T312 K313V287-E338 HydrophobicContact CG1-CG 4.17Å; V287-E338 HydrophobicContact CG2-CB 4.49Å; V287-E338 HydrophobicContact CG2-CG 3.97Å; F311-E338 CarbonylContact C-O 3.55Å; F311-E338 WeakPolarHBondContact CA-O 3.41Å; T312-E338 PolarHBondContact N-O 2.99Å; T312-E338 PolarHBondContact OG1-O 3.31Å; T312-E338 VanDerWaalsContact OG1-O 3.08Å; K313-E338 HydrophobicContact CB-CB 4.09Å; K313-E338 HydrophobicContact CB-CG 4.26Å; K313-E338 VanDerWaalsContact CD-OE2 3.28Å; K313-E338 WeakPolarHBondContact CD-OE2 3.2Å; K313-E338 PolarHBondContact N-O 3.09Å; K313-E338 IonicContact NZ-OE2 3.99Å; K313-E338 PolarHBondContact O-N 2.77Å
339T86.3Confident87.4Confident10 Ų1064 Ų646%0.06135%0.348CS..  trans-106.8170.7172.968.10000112.1S285 Y286 M310 F311 T312S285-T339 VanDerWaalsContact CB-O 3.28Å; S285-T339 WeakPolarHBondContact CB-O 3.28Å; Y286-T339 HydrophobicContact CD1-CG2 4.33Å; Y286-T339 WeakPolarHBondContact CD1-OG1 3.48Å; Y286-T339 HydrophobicContact CD2-CG2 4.2Å; Y286-T339 HydrophobicContact CE1-CG2 3.71Å; Y286-T339 VanDerWaalsContact CE1-OG1 3.32Å; Y286-T339 WeakPolarHBondContact CE1-OG1 3.49Å; Y286-T339 HydrophobicContact CE2-CG2 3.55Å; Y286-T339 PolarHBondContact N-OG1 2.81Å; Y286-T339 PolarHBondContact O-N 3.23Å; Y286-T339 VanDerWaalsContact O-N 3.11Å; Y286-T339 PolarHBondContact O-OG1 2.82Å; Y286-T339 WeakPolarHBondContact OH-CG2 3.4Å; M310-T339 WeakPolarHBondContact O-CG2 3.25Å; F311-T339 HydrophobicContact CD1-CG2 4Å; F311-T339 HydrophobicContact CE1-CG2 4.38Å; T312-T339 VanDerWaalsContact OG1-C 3.31Å; T312-T339 PolarHBondContact OG1-O 2.91Å
340N78.9Confident87.4Confident95 Ų9559.4 Ų59.451%0.50832%0.324SS..  trans-78156.6169.960.5-18.5000112.4K236 T312K236-N340 PolarHBondContact NZ-O 3.28Å; T312-N340 HydrophobicContact CG2-CB 3.66Å
341S68.2Low87.3Confident93 Ų9361.1 Ų61.165%0.6532%0.323SS*.  trans-65.10160.564.30000112.7K236 D282K236-S341 WeakPolarHBondContact CE-OXT 3.48Å; K236-S341 PolarHBondContact NZ-O 3.36Å; K236-S341 PolarHBondContact NZ-OXT 2.93Å; D282-S341 WeakPolarHBondContact OD2-CB 2.96Å

Retrieved 341 of 341 residues in 760.5 ms (Link to these results)

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