A0A077ZMG8_TRITR Loading...

Y2 Tnp domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 270 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
1M87.1Confident96.1Very high93 Ų9334.7 Ų34.746%0.45816%0.163SC..  0-47.30-64.5-176.8-73.500113.7R3 I4 A5 I26 P37 I39M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.3Å; M1-I4 WeakPolarHBondContact O-CA 3.46Å; M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 2.74Å; M1-A5 PolarHBondContact O-N 3.26Å; M1-A5 VanDerWaalsContact O-N 3.14Å; M1-I26 HydrophobicContact CE-CD1 3.54Å; M1-P37 HydrophobicContact CE-CB 3.67Å; M1-I39 HydrophobicContact CB-CD1 3.43Å; M1-I39 VanDerWaalsContact CB-CD1 3.43Å; M1-I39 HydrophobicContact CB-CG1 4.5Å
2S94Very high96.2Very high4 Ų433.3 Ų33.33%0.02816%0.156CC..Hα-helixtrans-50-44.7-178.2-56.40000114.8I4 A5 A6 T24S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.43Å; S2-A5 PolarHBondContact O-N 3.15Å; S2-A6 PolarHBondContact O-N 3.32Å; S2-T24 WeakPolarHBondContact CB-OG1 3.24Å
3R95.9Very high96.4Very high131 Ų13130.7 Ų30.749%0.49414%0.144SC..Hα-helixtrans-60-40.1176.5179.763.8-161.7-159.410.1112.4M1 A6 D7 Y193M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.3Å; R3-A6 PolarHBondContact O-N 3.17Å; R3-D7 WeakPolarHBondContact CG-OD2 3.48Å; R3-D7 IonicContact CZ-OD1 2.71Å; R3-D7 VanDerWaalsContact NE-CG 3.29Å; R3-D7 IonicContact NE-OD1 2.7Å; R3-D7 PolarHBondContact NE-OD1 3.14Å; R3-D7 IonicContact NE-OD2 3.98Å; R3-D7 PolarHBondContact NE-OD2 3.24Å; R3-D7 VanDerWaalsContact NE-OD2 3.11Å; R3-D7 IonicContact NH2-OD1 3.53Å; R3-D7 PolarHBondContact NH2-OD1 3.41Å; R3-D7 WeakPolarHBondContact O-CB 3.08Å; R3-D7 PolarHBondContact O-N 2.99Å; R3-Y193 WeakPolarHBondContact CA-OH 3.44Å; R3-Y193 PolarHBondContact N-OH 3.33Å
4I96.4Very high96.4Very high27 Ų2738.8 Ų38.814%0.13817%0.173CC..Hα-helixtrans-64.6-43.4178.7-65.8176.8000110.7M1 S2 D7 V8 W68 R71 I72 L75M1-I4 WeakPolarHBondContact O-CA 3.46Å; M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 2.74Å; S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.43Å; I4-D7 PolarHBondContact O-N 2.95Å; I4-V8 PolarHBondContact O-N 2.84Å; I4-W68 HydrophobicContact CB-CZ3 4.04Å; I4-W68 HydrophobicContact CG2-CE3 3.89Å; I4-W68 HydrophobicContact CG2-CZ3 3.64Å; I4-R71 HydrophobicContact CG2-CB 3.41Å; I4-R71 VanDerWaalsContact CG2-CB 3.41Å; I4-R71 HydrophobicContact CG2-CG 4.31Å; I4-I72 HydrophobicContact CD1-CD1 4.38Å; I4-I72 HydrophobicContact CG2-CD1 4.32Å; I4-L75 HydrophobicContact CD1-CB 3.95Å; I4-L75 HydrophobicContact CD1-CD1 4.42Å; I4-L75 HydrophobicContact CD1-CD2 3.52Å; I4-L75 HydrophobicContact CD1-CG 4.15Å
5A96.7Very high96.4Very high11 Ų1144 Ų449%0.09120%0.198CC..Hα-helixtrans-63.6-46.1178.300000110.7M1 S2 D7 V8 I39 L41 W68M1-A5 PolarHBondContact O-N 3.26Å; M1-A5 VanDerWaalsContact O-N 3.14Å; S2-A5 PolarHBondContact O-N 3.15Å; A5-D7 VanDerWaalsContact C-N 3.34Å; A5-D7 PolarHBondContact O-N 2.84Å; A5-V8 WeakPolarHBondContact O-CB 3.48Å; A5-V8 PolarHBondContact O-N 2.95Å; A5-I39 HydrophobicContact CB-CD1 4.11Å; A5-I39 HydrophobicContact CB-CG2 4.13Å; A5-L41 HydrophobicContact CB-CD1 3.91Å; A5-L41 WeakPolarHBondContact O-CD1 3.5Å; A5-W68 HydrophobicContact CB-CE3 4.28Å; A5-W68 HydrophobicContact CB-CH2 4.38Å; A5-W68 HydrophobicContact CB-CZ3 3.73Å
6A97.8Very high96.4Very high0 Ų042.4 Ų42.40%020%0.195CC..Hα-helixtrans-61.5-40.6174.900000112.2S2 R3 V8 I9 L10 I22 T24 Y193S2-A6 PolarHBondContact O-N 3.32Å; R3-A6 PolarHBondContact O-N 3.17Å; A6-V8 VanDerWaalsContact C-N 3.28Å; A6-V8 PolarHBondContact O-N 3.32Å; A6-I9 PolarHBondContact O-N 2.96Å; A6-I9 VanDerWaalsContact O-N 3.11Å; A6-L10 HydrophobicContact CB-CD1 4.43Å; A6-L10 WeakPolarHBondContact O-CB 3.43Å; A6-L10 VanDerWaalsContact O-CG 3.29Å; A6-L10 WeakPolarHBondContact O-CG 3.23Å; A6-L10 PolarHBondContact O-N 3.22Å; A6-I22 HydrophobicContact CB-CG2 4.28Å; A6-T24 HydrophobicContact CB-CG2 4.49Å; A6-Y193 HydrophobicContact CB-CD1 3.95Å; A6-Y193 HydrophobicContact CB-CD2 3.41Å; A6-Y193 VanDerWaalsContact CB-CD2 3.41Å; A6-Y193 HydrophobicContact CB-CE1 4.07Å; A6-Y193 HydrophobicContact CB-CE2 3.54Å; A6-Y193 HydrophobicContact CB-CG 3.63Å
7D97.9Very high96.4Very high27 Ų2747.4 Ų47.414%0.14422%0.224CC..Hα-helixtrans-64.2-29.6179.7-77.2-29.6000113.4R3 I4 A5 I9 E11 R71R3-D7 WeakPolarHBondContact CG-OD2 3.48Å; R3-D7 IonicContact CZ-OD1 2.71Å; R3-D7 VanDerWaalsContact NE-CG 3.29Å; R3-D7 IonicContact NE-OD1 2.7Å; R3-D7 PolarHBondContact NE-OD1 3.14Å; R3-D7 IonicContact NE-OD2 3.98Å; R3-D7 PolarHBondContact NE-OD2 3.24Å; R3-D7 VanDerWaalsContact NE-OD2 3.11Å; R3-D7 IonicContact NH2-OD1 3.53Å; R3-D7 PolarHBondContact NH2-OD1 3.41Å; R3-D7 WeakPolarHBondContact O-CB 3.08Å; R3-D7 PolarHBondContact O-N 2.99Å; I4-D7 PolarHBondContact O-N 2.95Å; A5-D7 VanDerWaalsContact C-N 3.34Å; A5-D7 PolarHBondContact O-N 2.84Å; D7-I9 VanDerWaalsContact C-N 3.33Å; D7-E11 WeakPolarHBondContact O-CB 3.47Å; D7-E11 PolarHBondContact O-N 2.77Å; D7-R71 VanDerWaalsContact CB-NH1 3.35Å
8V97.7Very high96.5Very high3 Ų345.3 Ų45.32%0.01821%0.214CC..Hα-helixtrans-58.6-49.1171.5171.30000110.1I4 A5 A6 I12 V64 M67 W68I4-V8 PolarHBondContact O-N 2.84Å; A5-V8 WeakPolarHBondContact O-CB 3.48Å; A5-V8 PolarHBondContact O-N 2.95Å; A6-V8 VanDerWaalsContact C-N 3.28Å; A6-V8 PolarHBondContact O-N 3.32Å; V8-I12 HydrophobicContact CG1-CD1 4.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.41Å; V8-I12 PolarHBondContact O-N 2.89Å; V8-V64 HydrophobicContact CG1-CB 4.44Å; V8-V64 HydrophobicContact CG1-CG1 4.08Å; V8-M67 HydrophobicContact CB-CB 4.48Å; V8-M67 HydrophobicContact CG1-CB 3.84Å; V8-M67 HydrophobicContact CG1-CE 4.42Å; V8-M67 HydrophobicContact CG1-SD 4.17Å; V8-M67 HydrophobicContact CG2-CB 4Å; V8-W68 HydrophobicContact CG2-CB 4.4Å
9I97.7Very high96.6Very high9 Ų945.2 Ų45.25%0.04621%0.214CC..Hα-helixtrans-70.1-47.5-179.5-57.3-54.2000110.7A6 D7 E11 I12 C13 I22 L41 T43 F59 V64A6-I9 PolarHBondContact O-N 2.96Å; A6-I9 VanDerWaalsContact O-N 3.11Å; D7-I9 VanDerWaalsContact C-N 3.33Å; I9-E11 PolarHBondContact O-N 3.3Å; I9-I12 PolarHBondContact O-N 3.18Å; I9-I12 VanDerWaalsContact O-N 3.14Å; I9-C13 WeakPolarHBondContact O-CB 3.22Å; I9-C13 PolarHBondContact O-N 3.22Å; I9-C13 PolarHBondContact O-SG 2.78Å; I9-C13 VanDerWaalsContact O-SG 3.33Å; I9-I22 HydrophobicContact CB-CD1 3.85Å; I9-I22 HydrophobicContact CG2-CD1 3.59Å; I9-I22 HydrophobicContact CG2-CG1 4.07Å; I9-L41 HydrophobicContact CD1-CD2 4.5Å; I9-L41 HydrophobicContact CG1-CD1 3.96Å; I9-L41 HydrophobicContact CG1-CD2 3.83Å; I9-T43 HydrophobicContact CG2-CG2 4.09Å; I9-T43 WeakPolarHBondContact CG2-OG1 3.25Å; I9-F59 HydrophobicContact CD1-CD1 3.98Å; I9-F59 HydrophobicContact CD1-CE1 4.15Å; I9-F59 HydrophobicContact CD1-CG 4.48Å; I9-F59 HydrophobicContact CG2-CE1 3.76Å; I9-F59 HydrophobicContact CG2-CZ 3.77Å; I9-V64 HydrophobicContact CD1-CG2 4.36Å
10L98.1Very high96.6Very high20 Ų2043 Ų4311%0.10520%0.203CC..Hα-helixtrans-58.5-35.7178.5-69.6168.5000112.1A6 R14 P20 I22A6-L10 HydrophobicContact CB-CD1 4.43Å; A6-L10 WeakPolarHBondContact O-CB 3.43Å; A6-L10 VanDerWaalsContact O-CG 3.29Å; A6-L10 WeakPolarHBondContact O-CG 3.23Å; A6-L10 PolarHBondContact O-N 3.22Å; L10-R14 VanDerWaalsContact O-CB 3.26Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 3.1Å; L10-P20 HydrophobicContact CD2-CG 3.95Å; L10-I22 HydrophobicContact CD2-CD1 3.74Å; L10-I22 HydrophobicContact CG-CD1 3.75Å
11E98Very high96.6Very high57 Ų5741 Ų4127%0.26619%0.194SC..Hα-helixtrans-69.4-43.6175.5-176.3-176.4164.600112.9D7 I9 C13 R14 Q15 M67 R71D7-E11 WeakPolarHBondContact O-CB 3.47Å; D7-E11 PolarHBondContact O-N 2.77Å; I9-E11 PolarHBondContact O-N 3.3Å; E11-C13 VanDerWaalsContact C-N 3.29Å; E11-C13 PolarHBondContact O-N 2.85Å; E11-R14 PolarHBondContact O-N 2.94Å; E11-Q15 WeakPolarHBondContact O-CG 3.38Å; E11-Q15 PolarHBondContact O-N 3.42Å; E11-Q15 VanDerWaalsContact O-N 3.09Å; E11-M67 HydrophobicContact CB-CE 3.88Å; E11-M67 HydrophobicContact CG-CE 3.88Å; E11-M67 VanDerWaalsContact OE2-CE 3.22Å; E11-M67 WeakPolarHBondContact OE2-CE 3.46Å; E11-R71 IonicContact OE2-CZ 3.43Å; E11-R71 IonicContact OE2-NE 3.45Å; E11-R71 IonicContact OE2-NH2 2.67Å; E11-R71 PolarHBondContact OE2-NH2 3.12Å
12I97.5Very high97Very high17 Ų1736.6 Ų36.69%0.08717%0.172CC..Hα-helixtrans-60.1-43.8174.6-66.7166.7000110.4V8 I9 Q15 F59 K63 V64 M67V8-I12 HydrophobicContact CG1-CD1 4.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.41Å; V8-I12 PolarHBondContact O-N 2.89Å; I9-I12 PolarHBondContact O-N 3.18Å; I9-I12 VanDerWaalsContact O-N 3.14Å; I12-Q15 PolarHBondContact O-N 2.84Å; I12-F59 HydrophobicContact CB-CD1 4.5Å; I12-F59 HydrophobicContact CB-CE1 4.28Å; I12-F59 HydrophobicContact CD1-CD1 4.17Å; I12-F59 HydrophobicContact CG2-CD1 4.02Å; I12-F59 HydrophobicContact CG2-CE1 3.92Å; I12-K63 HydrophobicContact CD1-CD 4.38Å; I12-K63 HydrophobicContact CD1-CG 4.43Å; I12-K63 HydrophobicContact CG1-CD 4.33Å; I12-V64 HydrophobicContact CD1-CG2 4.05Å; I12-M67 HydrophobicContact CD1-SD 3.89Å; I12-M67 HydrophobicContact CG1-CE 4.2Å; I12-M67 HydrophobicContact CG1-SD 3.77Å
13C98Very high97Very high0 Ų037.7 Ų37.70%018%0.177CC..Hα-helixtrans-67.9-38.4179.3-69.40000112.7I9 E11 Q15 A16 D17 V18 P20 L57I9-C13 WeakPolarHBondContact O-CB 3.22Å; I9-C13 PolarHBondContact O-N 3.22Å; I9-C13 PolarHBondContact O-SG 2.78Å; I9-C13 VanDerWaalsContact O-SG 3.33Å; E11-C13 VanDerWaalsContact C-N 3.29Å; E11-C13 PolarHBondContact O-N 2.85Å; C13-Q15 VanDerWaalsContact C-N 3.33Å; C13-Q15 PolarHBondContact O-N 2.94Å; C13-A16 CarbonylContact O-C 3.52Å; C13-A16 WeakPolarHBondContact O-CA 3.46Å; C13-A16 PolarHBondContact O-N 3.36Å; C13-D17 PolarHBondContact O-N 3.15Å; C13-D17 VanDerWaalsContact O-N 3.14Å; C13-V18 CarbonylContact C-O 3.57Å; C13-V18 HydrophobicContact CB-CG2 3.84Å; C13-V18 WeakPolarHBondContact CB-O 3.29Å; C13-V18 WeakPolarHBondContact O-CG2 3.41Å; C13-V18 PolarHBondContact O-N 3.44Å; C13-V18 VanDerWaalsContact O-N 3.08Å; C13-P20 HydrophobicContact CB-CB 4.45Å; C13-P20 HydrophobicContact CB-CG 3.85Å; C13-L57 HydrophobicContact CB-CD1 4.34Å
14R97.2Very high97Very high144 Ų14431.5 Ų31.554%0.54315%0.153SC..Hα-helixtrans-62.9-38.3175.1-169.2-174.4-4895.912.7112.3L10 E11 A16 D17L10-R14 VanDerWaalsContact O-CB 3.26Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 3.1Å; E11-R14 PolarHBondContact O-N 2.94Å; R14-A16 PolarHBondContact O-N 3.31Å; R14-A16 VanDerWaalsContact O-N 3.16Å; R14-D17 PolarHBondContact O-N 3.01Å; R14-D17 VanDerWaalsContact O-N 3.09Å
15Q96.3Very high96.9Very high117 Ų11730.3 Ų30.355%0.54715%0.148SC..THydrogen-bonded Turntrans-62.5-17.7173.9-71.4173.2-8.300113.2E11 I12 C13E11-Q15 WeakPolarHBondContact O-CG 3.38Å; E11-Q15 PolarHBondContact O-N 3.42Å; E11-Q15 VanDerWaalsContact O-N 3.09Å; I12-Q15 PolarHBondContact O-N 2.84Å; C13-Q15 VanDerWaalsContact C-N 3.33Å; C13-Q15 PolarHBondContact O-N 2.94Å
16A96.2Very high96.7Very high18 Ų1830.2 Ų30.215%0.14915%0.145CC..THydrogen-bonded Turntrans-109.58.9177.900000113C13 R14 V18 K55 L57C13-A16 CarbonylContact O-C 3.52Å; C13-A16 WeakPolarHBondContact O-CA 3.46Å; C13-A16 PolarHBondContact O-N 3.36Å; R14-A16 PolarHBondContact O-N 3.31Å; R14-A16 VanDerWaalsContact O-N 3.16Å; A16-V18 VanDerWaalsContact C-N 3.33Å; A16-V18 HydrophobicContact CB-CG2 4.35Å; A16-V18 PolarHBondContact O-N 2.89Å; A16-K55 PolarHBondContact O-NZ 3.37Å; A16-L57 HydrophobicContact CB-CD1 4.2Å; A16-L57 HydrophobicContact CB-CD2 3.75Å
17D97Very high96.4Very high128 Ų12830.5 Ų30.568%0.68415%0.147SC*.THydrogen-bonded Turntrans52.644.5-177.6-60-56.4000114C13 R14C13-D17 PolarHBondContact O-N 3.15Å; C13-D17 VanDerWaalsContact O-N 3.14Å; R14-D17 PolarHBondContact O-N 3.01Å; R14-D17 VanDerWaalsContact O-N 3.09Å
18V97.4Very high96.2Very high9 Ų930.1 Ų30.16%0.05515%0.145CC..EExtended strand (participates in β ladder)trans-128147.3176.5-60.70000112.6C13 A16 P20 V48 T49 K55 L57C13-V18 CarbonylContact C-O 3.57Å; C13-V18 HydrophobicContact CB-CG2 3.84Å; C13-V18 WeakPolarHBondContact CB-O 3.29Å; C13-V18 WeakPolarHBondContact O-CG2 3.41Å; C13-V18 PolarHBondContact O-N 3.44Å; C13-V18 VanDerWaalsContact O-N 3.08Å; A16-V18 VanDerWaalsContact C-N 3.33Å; A16-V18 HydrophobicContact CB-CG2 4.35Å; A16-V18 PolarHBondContact O-N 2.89Å; V18-P20 WeakPolarHBondContact O-CD 3.18Å; V18-V48 CarbonylContact C-O 3.46Å; V18-V48 WeakPolarHBondContact CA-O 3.24Å; V18-T49 HydrophobicContact CG1-CG2 4.09Å; V18-K55 HydrophobicContact CG1-CB 3.66Å; V18-K55 HydrophobicContact CG1-CD 3.65Å; V18-K55 HydrophobicContact CG1-CG 3.9Å; V18-L57 HydrophobicContact CG2-CD1 3.29Å; V18-L57 HydrophobicContact CG2-CG 4.1Å
19E97.8Very high95.9Very high44 Ų4430.7 Ų30.721%0.20615%0.147CC..EExtended strand (participates in β ladder)trans-98.1111.2172.7-170.365.9-15400110.6G47 V48 G194 F195 K200 L203E19-G47 CarbonylContact O-C 3.56Å; E19-G47 WeakPolarHBondContact O-CA 3.43Å; E19-V48 PolarHBondContact N-O 2.85Å; E19-V48 PolarHBondContact O-N 2.98Å; E19-G194 WeakPolarHBondContact OE1-CA 3.43Å; E19-F195 HydrophobicContact CG-CD1 4.47Å; E19-F195 VanDerWaalsContact O-CD1 3.26Å; E19-F195 WeakPolarHBondContact O-CD1 3.34Å; E19-F195 WeakPolarHBondContact O-CE1 3.27Å; E19-K200 HydrophobicContact CG-CD 4.21Å; E19-K200 IonicContact OE1-NZ 3.55Å; E19-K200 PolarHBondContact OE1-NZ 3.49Å; E19-K200 IonicContact OE2-NZ 2.98Å; E19-K200 PolarHBondContact OE2-NZ 2.97Å; E19-L203 HydrophobicContact CB-CD2 4.32Å; E19-L203 HydrophobicContact CG-CD2 3.91Å
20P97.6Very high95.5Very high1 Ų130.8 Ų30.81%0.00615%0.15CC..  trans-84.1165.2178.135.8-35.8000111.7L10 C13 V18 I22 G194 F195L10-P20 HydrophobicContact CD2-CG 3.95Å; C13-P20 HydrophobicContact CB-CB 4.45Å; C13-P20 HydrophobicContact CB-CG 3.85Å; V18-P20 WeakPolarHBondContact O-CD 3.18Å; P20-I22 HydrophobicContact CB-CD1 4.35Å; P20-I22 HydrophobicContact CB-CG1 4.16Å; P20-I22 HydrophobicContact CG-CD1 3.7Å; P20-I22 HydrophobicContact CG-CG1 4.02Å; P20-G194 CarbonylContact O-C 3.41Å; P20-G194 VanDerWaalsContact O-CA 3.25Å; P20-G194 WeakPolarHBondContact O-CA 3.35Å; P20-F195 WeakPolarHBondContact O-CD1 3.43Å; P20-F195 PolarHBondContact O-N 3.47Å
21G96.4Very high95Very high1 Ų136 Ų361%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-99.3123.8163.400000109.2T43 T44 F195G21-T43 CarbonylContact O-C 3.48Å; G21-T43 VanDerWaalsContact O-CA 3.24Å; G21-T43 WeakPolarHBondContact O-CA 3.23Å; G21-T44 PolarHBondContact N-OG1 2.98Å; G21-T44 PolarHBondContact O-N 2.82Å; G21-F195 VanDerWaalsContact CA-CE2 3.45Å; G21-F195 VanDerWaalsContact CA-CZ 3.45Å; G21-F195 VanDerWaalsContact N-CZ 3.26Å
22I95.9Very high94.6Very high0 Ų035.8 Ų35.80%017%0.169CC..EExtended strand (participates in β ladder)trans-132.8141.1-176.8-57.2165.2000110.5A6 I9 L10 P20 T24 L41 S42 Y192 Y193A6-I22 HydrophobicContact CB-CG2 4.28Å; I9-I22 HydrophobicContact CB-CD1 3.85Å; I9-I22 HydrophobicContact CG2-CD1 3.59Å; I9-I22 HydrophobicContact CG2-CG1 4.07Å; L10-I22 HydrophobicContact CD2-CD1 3.74Å; L10-I22 HydrophobicContact CG-CD1 3.75Å; P20-I22 HydrophobicContact CB-CD1 4.35Å; P20-I22 HydrophobicContact CB-CG1 4.16Å; P20-I22 HydrophobicContact CG-CD1 3.7Å; P20-I22 HydrophobicContact CG-CG1 4.02Å; I22-T24 HydrophobicContact CG2-CG2 4.43Å; I22-L41 HydrophobicContact CG2-CD1 4.17Å; I22-L41 HydrophobicContact CG2-CD2 4.33Å; I22-L41 HydrophobicContact CG2-CG 4.08Å; I22-S42 VanDerWaalsContact CA-O 3.29Å; I22-S42 WeakPolarHBondContact CA-O 3.12Å; I22-Y192 CarbonylContact O-C 3.56Å; I22-Y192 WeakPolarHBondContact O-CA 3.49Å; I22-Y193 HydrophobicContact CG2-CD2 4.12Å; I22-Y193 PolarHBondContact N-O 3.13Å; I22-Y193 PolarHBondContact O-N 3.07Å
23F94.3Very high94.1Very high28 Ų2835.1 Ų35.112%0.12317%0.166CC..EExtended strand (participates in β ladder)trans-137.6154.1158.669.2-92.8000111.7V25 S42 F129 R191 Y192 L196F23-V25 HydrophobicContact CD2-CG2 4.47Å; F23-S42 WeakPolarHBondContact CE1-OG 3.49Å; F23-S42 PolarHBondContact N-O 3.41Å; F23-S42 PolarHBondContact O-N 2.99Å; F23-F129 HydrophobicContact CE2-CB 4.03Å; F23-F129 AromaticContact CE2-CD1 3.55Å; F23-F129 HydrophobicContact CE2-CD1 3.55Å; F23-F129 HydrophobicContact CE2-CD2 4.48Å; F23-F129 HydrophobicContact CE2-CE1 4.13Å; F23-F129 AromaticContact CE2-CG 3.78Å; F23-F129 HydrophobicContact CE2-CG 3.78Å; F23-F129 HydrophobicContact CZ-CB 3.73Å; F23-F129 AromaticContact CZ-CD1 3.6Å; F23-F129 HydrophobicContact CZ-CD1 3.6Å; F23-F129 AromaticContact CZ-CD2 3.69Å; F23-F129 HydrophobicContact CZ-CD2 3.69Å; F23-F129 HydrophobicContact CZ-CE1 4.12Å; F23-F129 HydrophobicContact CZ-CE2 4.21Å; F23-F129 AromaticContact CZ-CG 3.38Å; F23-F129 HydrophobicContact CZ-CG 3.38Å; F23-F129 HydrophobicContact CZ-CZ 4.41Å; F23-R191 CarbonylContact C-O 3.54Å; F23-R191 WeakPolarHBondContact CA-O 3.25Å; F23-R191 WeakPolarHBondContact CB-O 3.46Å; F23-Y192 HydrophobicContact CB-CD1 3.62Å; F23-Y192 HydrophobicContact CB-CE1 3.89Å; F23-Y192 HydrophobicContact CB-CG 4.38Å; F23-Y192 HydrophobicContact CG-CE1 4.44Å; F23-L196 HydrophobicContact CD1-CD1 3.98Å
24T94.8Very high93.7Very high0 Ų038.8 Ų38.80%018%0.183CC..EExtended strand (participates in β ladder)trans-129.4144.2-179.1640000110.7S2 A6 I22 I39 H40 L41 V190 R191 Y193S2-T24 WeakPolarHBondContact CB-OG1 3.24Å; A6-T24 HydrophobicContact CB-CG2 4.49Å; I22-T24 HydrophobicContact CG2-CG2 4.43Å; T24-I39 HydrophobicContact CG2-CG2 4.34Å; T24-H40 CarbonylContact C-O 3.54Å; T24-H40 VanDerWaalsContact CA-O 3.27Å; T24-H40 WeakPolarHBondContact CA-O 3.04Å; T24-L41 HydrophobicContact CG2-CB 4.25Å; T24-L41 HydrophobicContact CG2-CD1 3.9Å; T24-L41 HydrophobicContact CG2-CG 4Å; T24-V190 VanDerWaalsContact O-CA 3.32Å; T24-V190 WeakPolarHBondContact O-CA 3.23Å; T24-R191 PolarHBondContact N-O 3.21Å; T24-R191 PolarHBondContact O-N 3.42Å; T24-Y193 HydrophobicContact CG2-CD2 4.43Å; T24-Y193 HydrophobicContact CG2-CE2 4.01Å
25V93.8Very high93.4Very high3 Ų338.9 Ų38.92%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-122.2126.7169.7-1690000107.9F23 I39 H40 L133 M189 V190F23-V25 HydrophobicContact CD2-CG2 4.47Å; V25-I39 WeakPolarHBondContact O-CA 3.47Å; V25-H40 HydrophobicContact CB-CB 4.38Å; V25-H40 PolarHBondContact N-O 3.32Å; V25-H40 PolarHBondContact O-N 2.85Å; V25-L133 HydrophobicContact CG2-CD2 3.27Å; V25-L133 HydrophobicContact CG2-CG 3.97Å; V25-M189 WeakPolarHBondContact CA-O 3.29Å; V25-V190 HydrophobicContact CG2-CG2 4.44Å
26I93.1Very high93.1Very high9 Ų938.5 Ų38.55%0.04618%0.181CC..EExtended strand (participates in β ladder)trans-95.3136.8170.2-176168.8000109.4M1 H38 I39 F187 M189M1-I26 HydrophobicContact CE-CD1 3.54Å; I26-H38 WeakPolarHBondContact CA-O 3.42Å; I26-I39 HydrophobicContact CB-CG1 4.33Å; I26-I39 HydrophobicContact CG1-CG1 4.39Å; I26-F187 HydrophobicContact CG2-CE1 3.74Å; I26-F187 HydrophobicContact CG2-CZ 4.18Å; I26-M189 HydrophobicContact CG2-CE 4.09Å; I26-M189 HydrophobicContact CG2-SD 3.74Å; I26-M189 PolarHBondContact N-O 3.45Å; I26-M189 VanDerWaalsContact N-O 3.11Å; I26-M189 WeakPolarHBondContact O-CE 3.46Å
27H92.3Very high93Very high6 Ų640 Ų403%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-121144.1167.4-68.8163.4000107.9W29 P37 H38 H40 Y132H27-W29 HydrophobicContact CB-CD2 4.32Å; H27-W29 HydrophobicContact CB-CE3 4.25Å; H27-W29 HydrophobicContact CB-CH2 4.1Å; H27-W29 HydrophobicContact CB-CZ2 4.17Å; H27-W29 HydrophobicContact CB-CZ3 4.15Å; H27-W29 AromaticContact CD2-CH2 3.33Å; H27-W29 WeakPolarHBondContact CD2-CH2 3.39Å; H27-W29 AromaticContact CD2-CZ2 3.57Å; H27-W29 AromaticContact CG-CH2 3.83Å; H27-W29 AromaticContact CG-CZ2 3.77Å; H27-W29 AromaticContact NE2-CZ2 3.95Å; H27-P37 CarbonylContact O-C 3.58Å; H27-P37 VanDerWaalsContact O-CA 3.29Å; H27-P37 WeakPolarHBondContact O-CA 3.42Å; H27-H38 WeakPolarHBondContact CB-CE1 3.44Å; H27-H38 PolarHBondContact N-O 2.99Å; H27-H38 AromaticContact ND1-NE2 3.63Å; H27-H38 PolarHBondContact O-N 3.25Å; H27-H40 AromaticContact CE1-CD2 3.76Å; H27-H40 AromaticContact CE1-NE2 3.79Å; H27-H40 AromaticContact ND1-CD2 3.45Å; H27-H40 PolarHBondContact ND1-CD2 3.05Å; H27-H40 AromaticContact ND1-NE2 3.24Å; H27-H40 PolarHBondContact ND1-NE2 2.91Å; H27-Y132 PolarHBondContact CE1-O 3.03Å; H27-Y132 VanDerWaalsContact CE1-O 3.28Å; H27-Y132 PolarHBondContact NE2-O 3.47Å
28T92.7Very high92.7Very high19 Ų1936.5 Ų36.512%0.11717%0.169CC..EExtended strand (participates in β ladder)trans-111.92-176.549.50000113.4W35 H36 H181T28-W35 HydrophobicContact CG2-CH2 3.91Å; T28-W35 HydrophobicContact CG2-CZ3 3.99Å; T28-H36 CarbonylContact C-O 3.55Å; T28-H36 PolarHBondContact O-N 2.93Å; T28-H181 PolarHBondContact O-CE1 3.18Å; T28-H181 PolarHBondContact O-ND1 3.12Å; T28-H181 WeakPolarHBondContact OG1-CA 3.38Å; T28-H181 PolarHBondContact OG1-ND1 2.85Å
29W91.2Very high92.5Very high15 Ų1537.9 Ų37.96%0.05718%0.176CC..EExtended strand (participates in β ladder)trans-121.1144.6-172.759.5101.7000112.7H27 Q34 H38 K135 P137 H181 M189H27-W29 HydrophobicContact CB-CD2 4.32Å; H27-W29 HydrophobicContact CB-CE3 4.25Å; H27-W29 HydrophobicContact CB-CH2 4.1Å; H27-W29 HydrophobicContact CB-CZ2 4.17Å; H27-W29 HydrophobicContact CB-CZ3 4.15Å; H27-W29 AromaticContact CD2-CH2 3.33Å; H27-W29 WeakPolarHBondContact CD2-CH2 3.39Å; H27-W29 AromaticContact CD2-CZ2 3.57Å; H27-W29 AromaticContact CG-CH2 3.83Å; H27-W29 AromaticContact CG-CZ2 3.77Å; H27-W29 AromaticContact NE2-CZ2 3.95Å; W29-Q34 CarbonylContact C-O 3.59Å; W29-Q34 WeakPolarHBondContact CA-O 3.37Å; W29-H38 PolarHBondContact O-CE1 3.45Å; W29-K135 VanDerWaalsContact CZ2-O 3.28Å; W29-K135 WeakPolarHBondContact CZ2-O 3.42Å; W29-P137 VanDerWaalsContact CD1-O 3.32Å; W29-P137 HydrophobicContact CD2-CB 4.04Å; W29-P137 HydrophobicContact CD2-CG 4.28Å; W29-P137 VanDerWaalsContact CE2-CA 3.49Å; W29-P137 HydrophobicContact CE3-CB 4.18Å; W29-P137 HydrophobicContact CE3-CG 3.97Å; W29-P137 HydrophobicContact CG-CB 4.24Å; W29-P137 HydrophobicContact CH2-CG 4.34Å; W29-P137 HydrophobicContact CZ3-CG 4.01Å; W29-P137 PolarHBondContact NE1-O 3.2Å; W29-H181 VanDerWaalsContact CB-CE1 3.42Å; W29-H181 WeakPolarHBondContact CB-CE1 3.44Å; W29-H181 WeakPolarHBondContact CB-NE2 3.26Å; W29-H181 HydrophobicContact CE3-CB 4.13Å; W29-M189 HydrophobicContact CH2-CE 4.5Å; W29-M189 HydrophobicContact CZ3-CE 4.08Å
30G89.5Confident92.3Very high11 Ų1137.6 Ų37.611%0.11317%0.174CC..  trans-80.1-180165.300000111.7D32 Q33 Q34G30-D32 PolarHBondContact O-N 3.34Å; G30-Q33 PolarHBondContact O-N 2.91Å; G30-Q34 PolarHBondContact N-O 3.48Å
31R88.3Confident92.1Very high130 Ų13040 Ų4049%0.49119%0.187SC..THydrogen-bonded Turntrans-67.8-27.2174-65.8-176.6-175.8-176.2-0.6111.5R142 Y156 N157R31-R142 PolarHBondContact O-NH1 3.49Å; R31-R142 VanDerWaalsContact O-NH1 3.14Å; R31-R142 PolarHBondContact O-NH2 3.04Å; R31-Y156 HydrophobicContact CB-CD2 4.25Å; R31-Y156 WeakPolarHBondContact O-CB 3.37Å; R31-N157 WeakPolarHBondContact CD-O 3.25Å; R31-N157 PolarHBondContact NH1-O 2.86Å
32D88.8Confident91.9Very high51 Ų5140.7 Ų40.727%0.27319%0.192SC..THydrogen-bonded Turntrans-96.616.6178.359.5-18000113.2G30 Q34 Y156G30-D32 PolarHBondContact O-N 3.34Å; D32-Q34 VanDerWaalsContact CG-CG 3.48Å; D32-Q34 PolarHBondContact O-N 3.22Å; D32-Q34 PolarHBondContact OD1-N 2.83Å; D32-Q34 WeakPolarHBondContact OD2-CG 3.04Å; D32-Y156 HydrophobicContact CB-CD2 4.33Å; D32-Y156 HydrophobicContact CB-CE1 4.4Å; D32-Y156 HydrophobicContact CB-CE2 4.1Å
33Q88.1Confident91.9Very high3 Ų342.5 Ų42.51%0.01420%0.203CC..SBendtrans60.815.6-174.9-57.1-50.6115.900115.8G30 P137 V138 L154 H181G30-Q33 PolarHBondContact O-N 2.91Å; Q33-P137 PolarHBondContact NE2-O 3.29Å; Q33-P137 PolarHBondContact OE1-O 3.44Å; Q33-V138 HydrophobicContact CG-CG2 3.57Å; Q33-V138 VanDerWaalsContact NE2-CG2 3.32Å; Q33-L154 HydrophobicContact CB-CD2 4.47Å; Q33-L154 HydrophobicContact CG-CD2 3.65Å; Q33-H181 PolarHBondContact NE2-CD2 3.2Å; Q33-H181 VanDerWaalsContact NE2-CD2 3.34Å; Q33-H181 PolarHBondContact NE2-NE2 3.39Å; Q33-H181 PolarHBondContact O-NE2 3Å
34Q89.3Confident91.8Very high77 Ų7743 Ų4336%0.3621%0.208SC..  trans-70.1155.6170.1-66.5-65.3-6.300111.1W29 G30 D32 H36W29-Q34 CarbonylContact C-O 3.59Å; W29-Q34 WeakPolarHBondContact CA-O 3.37Å; G30-Q34 PolarHBondContact N-O 3.48Å; D32-Q34 VanDerWaalsContact CG-CG 3.48Å; D32-Q34 PolarHBondContact O-N 3.22Å; D32-Q34 PolarHBondContact OD1-N 2.83Å; D32-Q34 WeakPolarHBondContact OD2-CG 3.04Å; Q34-H36 PolarHBondContact O-N 3.5Å
35W90.2Very high91.7Very high147 Ų14744.3 Ų44.356%0.55722%0.219SC*.EExtended strand (participates in β ladder)trans-60.4107.5172.7-176-111.5000110.4T28 P37 W180T28-W35 HydrophobicContact CG2-CH2 3.91Å; T28-W35 HydrophobicContact CG2-CZ3 3.99Å; W35-P37 HydrophobicContact CZ2-CG 4.38Å; W35-W180 HydrophobicContact CE3-CB 4.28Å; W35-W180 HydrophobicContact CZ3-CB 4.49Å; W35-W180 WeakPolarHBondContact CZ3-O 3.36Å
36H91.2Very high91.7Very high109 Ų10944.2 Ų44.251%0.50522%0.218SC..EExtended strand (participates in β ladder)trans-142.271.4-176.9-166.969.6000110.8T28 Q34 H38T28-H36 CarbonylContact C-O 3.55Å; T28-H36 PolarHBondContact O-N 2.93Å; Q34-H36 PolarHBondContact O-N 3.5Å; H36-H38 AromaticContact CD2-ND1 3.59Å; H36-H38 PolarHBondContact O-N 3.25Å; H36-H38 PolarHBondContact O-ND1 2.88Å
37P92.1Very high91.8Very high49 Ų4943.8 Ų43.832%0.31822%0.216SC..EExtended strand (participates in β ladder)trans-64.1118.9178.926.1-33.6000111.4M1 H27 W35M1-P37 HydrophobicContact CE-CB 3.67Å; H27-P37 CarbonylContact O-C 3.58Å; H27-P37 VanDerWaalsContact O-CA 3.29Å; H27-P37 WeakPolarHBondContact O-CA 3.42Å; W35-P37 HydrophobicContact CZ2-CG 4.38Å
38H92.7Very high92.1Very high55 Ų5543.7 Ų43.726%0.25522%0.216SC..EExtended strand (participates in β ladder)trans-143.5159.4177.264.1-79.5000111.5I26 H27 W29 H36 H40I26-H38 WeakPolarHBondContact CA-O 3.42Å; H27-H38 WeakPolarHBondContact CB-CE1 3.44Å; H27-H38 PolarHBondContact N-O 2.99Å; H27-H38 AromaticContact ND1-NE2 3.63Å; H27-H38 PolarHBondContact O-N 3.25Å; W29-H38 PolarHBondContact O-CE1 3.45Å; H36-H38 AromaticContact CD2-ND1 3.59Å; H36-H38 PolarHBondContact O-N 3.25Å; H36-H38 PolarHBondContact O-ND1 2.88Å; H38-H40 AromaticContact CD2-CD2 3.95Å; H38-H40 AromaticContact CD2-CE1 3.86Å; H38-H40 AromaticContact CD2-NE2 3.26Å; H38-H40 PolarHBondContact CD2-NE2 2.68Å; H38-H40 VanDerWaalsContact CD2-NE2 3.26Å; H38-H40 AromaticContact NE2-CE1 3.91Å; H38-H40 AromaticContact NE2-NE2 3.13Å; H38-H40 PolarHBondContact NE2-NE2 2.92Å; H38-H40 VanDerWaalsContact NE2-NE2 3.13Å
39I93.1Very high92.3Very high38 Ų3844 Ų4420%0.19522%0.218CC..EExtended strand (participates in β ladder)trans-121.2130.8-178.3-69.1164.2000110M1 A5 T24 V25 I26 L41 W68M1-I39 HydrophobicContact CB-CD1 3.43Å; M1-I39 VanDerWaalsContact CB-CD1 3.43Å; M1-I39 HydrophobicContact CB-CG1 4.5Å; A5-I39 HydrophobicContact CB-CD1 4.11Å; A5-I39 HydrophobicContact CB-CG2 4.13Å; T24-I39 HydrophobicContact CG2-CG2 4.34Å; V25-I39 WeakPolarHBondContact O-CA 3.47Å; I26-I39 HydrophobicContact CB-CG1 4.33Å; I26-I39 HydrophobicContact CG1-CG1 4.39Å; I39-L41 HydrophobicContact CG2-CB 4.4Å; I39-W68 HydrophobicContact CD1-CH2 4.05Å
40H92.8Very high92.5Very high37 Ų3749 Ų4917%0.17126%0.255CS..EExtended strand (participates in β ladder)trans-93122.7161.3-58.1-82.6000107.9T24 V25 H27 H38 Y132T24-H40 CarbonylContact C-O 3.54Å; T24-H40 VanDerWaalsContact CA-O 3.27Å; T24-H40 WeakPolarHBondContact CA-O 3.04Å; V25-H40 HydrophobicContact CB-CB 4.38Å; V25-H40 PolarHBondContact N-O 3.32Å; V25-H40 PolarHBondContact O-N 2.85Å; H27-H40 AromaticContact CE1-CD2 3.76Å; H27-H40 AromaticContact CE1-NE2 3.79Å; H27-H40 AromaticContact ND1-CD2 3.45Å; H27-H40 PolarHBondContact ND1-CD2 3.05Å; H27-H40 AromaticContact ND1-NE2 3.24Å; H27-H40 PolarHBondContact ND1-NE2 2.91Å; H38-H40 AromaticContact CD2-CD2 3.95Å; H38-H40 AromaticContact CD2-CE1 3.86Å; H38-H40 AromaticContact CD2-NE2 3.26Å; H38-H40 PolarHBondContact CD2-NE2 2.68Å; H38-H40 VanDerWaalsContact CD2-NE2 3.26Å; H38-H40 AromaticContact NE2-CE1 3.91Å; H38-H40 AromaticContact NE2-NE2 3.13Å; H38-H40 PolarHBondContact NE2-NE2 2.92Å; H38-H40 VanDerWaalsContact NE2-NE2 3.13Å; H40-Y132 AromaticContact CE1-CD1 3.66Å; H40-Y132 AromaticContact CE1-CE1 3.65Å; H40-Y132 AromaticContact NE2-CD1 3.77Å
41L93.9Very high92.8Very high52 Ų5251.1 Ų51.127%0.27228%0.277SS..EExtended strand (participates in β ladder)trans-117.9128.2176.9-177.9152.9000108.7A5 I9 I22 T24 I39 T43A5-L41 HydrophobicContact CB-CD1 3.91Å; A5-L41 WeakPolarHBondContact O-CD1 3.5Å; I9-L41 HydrophobicContact CD1-CD2 4.5Å; I9-L41 HydrophobicContact CG1-CD1 3.96Å; I9-L41 HydrophobicContact CG1-CD2 3.83Å; I22-L41 HydrophobicContact CG2-CD1 4.17Å; I22-L41 HydrophobicContact CG2-CD2 4.33Å; I22-L41 HydrophobicContact CG2-CG 4.08Å; T24-L41 HydrophobicContact CG2-CB 4.25Å; T24-L41 HydrophobicContact CG2-CD1 3.9Å; T24-L41 HydrophobicContact CG2-CG 4Å; I39-L41 HydrophobicContact CG2-CB 4.4Å; L41-T43 HydrophobicContact CD2-CG2 4.06Å
42S92.5Very high93.1Very high16 Ų1650.2 Ų50.211%0.11228%0.278CS..EExtended strand (participates in β ladder)trans-105.7136.1166.8-166.10000109.2I22 F23 F129I22-S42 VanDerWaalsContact CA-O 3.29Å; I22-S42 WeakPolarHBondContact CA-O 3.12Å; F23-S42 WeakPolarHBondContact CE1-OG 3.49Å; F23-S42 PolarHBondContact N-O 3.41Å; F23-S42 PolarHBondContact O-N 2.99Å; S42-F129 WeakPolarHBondContact OG-CE2 3.45Å; S42-F129 VanDerWaalsContact OG-CZ 3.25Å; S42-F129 WeakPolarHBondContact OG-CZ 3.49Å
43T94.4Very high93.4Very high38 Ų3851.6 Ų51.623%0.23329%0.289CS..EExtended strand (participates in β ladder)trans-140150.2171.3-174.80000110.1I9 G21 L41 F59I9-T43 HydrophobicContact CG2-CG2 4.09Å; I9-T43 WeakPolarHBondContact CG2-OG1 3.25Å; G21-T43 CarbonylContact O-C 3.48Å; G21-T43 VanDerWaalsContact O-CA 3.24Å; G21-T43 WeakPolarHBondContact O-CA 3.23Å; L41-T43 HydrophobicContact CD2-CG2 4.06Å; T43-F59 HydrophobicContact CG2-CD2 4.02Å; T43-F59 HydrophobicContact CG2-CE2 3.6Å; T43-F59 HydrophobicContact CG2-CZ 4.09Å
44T93.5Very high93.8Very high38 Ų3855.4 Ų55.423%0.23330%0.303CS..  trans-65.4146.7167.851.70000111.6G21 G46 W54 F59 F195G21-T44 PolarHBondContact N-OG1 2.98Å; G21-T44 PolarHBondContact O-N 2.82Å; T44-G46 WeakPolarHBondContact CB-O 3.45Å; T44-G46 PolarHBondContact O-N 2.98Å; T44-G46 PolarHBondContact OG1-O 3.27Å; T44-W54 HydrophobicContact CG2-CH2 4.07Å; T44-F59 WeakPolarHBondContact O-CE2 3.15Å; T44-F195 HydrophobicContact CG2-CE2 4.32Å; T44-F195 HydrophobicContact CG2-CZ 3.68Å
45A92.4Very high94.1Very high28 Ų2856 Ų5623%0.23130%0.304CS..SBendtrans-78.146.1177.700000112.4N56 L57 V118A45-N56 WeakPolarHBondContact O-CA 3.48Å; A45-L57 CarbonylContact C-O 3.51Å; A45-L57 PolarHBondContact O-N 3.24Å; A45-V118 HydrophobicContact CB-CB 4.28Å; A45-V118 HydrophobicContact CB-CG1 3.66Å; A45-V118 HydrophobicContact CB-CG2 3.56Å
46G93.5Very high94.3Very high0 Ų054.8 Ų54.80%031%0.309CS..EExtended strand (participates in β ladder)trans148.9-173.1-166.100000111.2T44 K55T44-G46 WeakPolarHBondContact CB-O 3.45Å; T44-G46 PolarHBondContact O-N 2.98Å; T44-G46 PolarHBondContact OG1-O 3.27Å; G46-K55 CarbonylContact C-O 3.6Å; G46-K55 WeakPolarHBondContact CA-O 3.44Å
47G95.7Very high94.5Very high0 Ų051.3 Ų51.30%029%0.294CS..EExtended strand (participates in β ladder)trans-165.7178.8178.700000113E19 K55E19-G47 CarbonylContact O-C 3.56Å; E19-G47 WeakPolarHBondContact O-CA 3.43Å; G47-K55 PolarHBondContact N-O 3.03Å; G47-K55 PolarHBondContact O-N 3.36Å
48V97.6Very high94.5Very high4 Ų454.6 Ų54.62%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-85.3128.9179.4-168.10000109.6V18 E19 T53 F195 L203 V207 V208 I211V18-V48 CarbonylContact C-O 3.46Å; V18-V48 WeakPolarHBondContact CA-O 3.24Å; E19-V48 PolarHBondContact N-O 2.85Å; E19-V48 PolarHBondContact O-N 2.98Å; V48-T53 WeakPolarHBondContact CA-O 3.44Å; V48-F195 HydrophobicContact CG2-CD1 4.08Å; V48-F195 HydrophobicContact CG2-CE1 4.22Å; V48-L203 HydrophobicContact CG1-CD1 4.19Å; V48-V207 HydrophobicContact CG1-CG1 3.68Å; V48-V208 HydrophobicContact CG2-CG2 3.51Å; V48-I211 HydrophobicContact CG1-CD1 4.28Å; V48-I211 HydrophobicContact CG2-CD1 4.13Å
49T97.4Very high94.6Very high26 Ų2653 Ų5316%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-77.2168.4171.567.90000110.9V18 G51 H52 T53 K55V18-T49 HydrophobicContact CG1-CG2 4.09Å; T49-G51 PolarHBondContact O-N 3.23Å; T49-G51 PolarHBondContact OG1-N 3.17Å; T49-H52 PolarHBondContact O-N 3.04Å; T49-T53 PolarHBondContact N-O 3.08Å; T49-T53 PolarHBondContact OG1-N 2.92Å; T49-T53 PolarHBondContact OG1-O 2.82Å; T49-T53 PolarHBondContact OG1-OG1 3.15Å; T49-K55 HydrophobicContact CG2-CB 3.75Å; T49-K55 HydrophobicContact CG2-CD 4.3Å
50S94.6Very high94.6Very high120 Ų12058.3 Ų58.384%0.83932%0.316SS*.THydrogen-bonded Turntrans-58.9-27.7171.353.10000113.4H52S50-H52 PolarHBondContact O-N 3.45Å
51G95.6Very high94.6Very high56 Ų5658.4 Ų58.458%0.57732%0.322SS*.THydrogen-bonded Turntrans-8213.7175.600000114.5T49 T53T49-G51 PolarHBondContact O-N 3.23Å; T49-G51 PolarHBondContact OG1-N 3.17Å; G51-T53 PolarHBondContact O-N 3.45Å
52H95.3Very high94.6Very high110 Ų11066 Ų6651%0.50935%0.348SS..SBendtrans57.633.3-178.9-63175.7000113.6T49 S50 V207 I211T49-H52 PolarHBondContact O-N 3.04Å; S50-H52 PolarHBondContact O-N 3.45Å; H52-V207 HydrophobicContact CB-CG1 3.66Å; H52-I211 WeakPolarHBondContact O-CG2 3.3Å
53T95.7Very high94.8Very high81 Ų8169.4 Ų69.450%0.49736%0.36SS..  trans-109.5156.4172.260.10000111V48 T49 G51V48-T53 WeakPolarHBondContact CA-O 3.44Å; T49-T53 PolarHBondContact N-O 3.08Å; T49-T53 PolarHBondContact OG1-N 2.92Å; T49-T53 PolarHBondContact OG1-O 2.82Å; T49-T53 PolarHBondContact OG1-OG1 3.15Å; G51-T53 PolarHBondContact O-N 3.45Å
54W95.6Very high94.8Very high82 Ų8268.2 Ų68.231%0.31135%0.353SS..EExtended strand (participates in β ladder)trans-85130.3174.9-172.8-97.8000111.1T44 N56 F195 I211 T212T44-W54 HydrophobicContact CG2-CH2 4.07Å; W54-N56 PolarHBondContact NE1-OD1 2.99Å; W54-F195 HydrophobicContact CH2-CE1 4.39Å; W54-F195 HydrophobicContact CH2-CZ 4.27Å; W54-F195 HydrophobicContact CZ3-CE1 4.03Å; W54-F195 HydrophobicContact CZ3-CZ 4.11Å; W54-I211 HydrophobicContact CB-CD1 4.17Å; W54-I211 HydrophobicContact CE3-CD1 4.26Å; W54-T212 HydrophobicContact CE3-CG2 4.22Å; W54-T212 HydrophobicContact CZ3-CG2 4.43Å
55K96.1Very high94.9Very high89 Ų8968.3 Ų68.339%0.38735%0.351SS..EExtended strand (participates in β ladder)trans-122.4119.3172.7174174.1176.1-171.10109.9A16 V18 G46 G47 T49A16-K55 PolarHBondContact O-NZ 3.37Å; V18-K55 HydrophobicContact CG1-CB 3.66Å; V18-K55 HydrophobicContact CG1-CD 3.65Å; V18-K55 HydrophobicContact CG1-CG 3.9Å; G46-K55 CarbonylContact C-O 3.6Å; G46-K55 WeakPolarHBondContact CA-O 3.44Å; G47-K55 PolarHBondContact N-O 3.03Å; G47-K55 PolarHBondContact O-N 3.36Å; T49-K55 HydrophobicContact CG2-CB 3.75Å; T49-K55 HydrophobicContact CG2-CD 4.3Å
56N95Very high95.1Very high123 Ų12369.3 Ų69.366%0.65836%0.357SS*.EExtended strand (participates in β ladder)trans-68143.6177.9-71.4-40.4000111.3A45 W54A45-N56 WeakPolarHBondContact O-CA 3.48Å; W54-N56 PolarHBondContact NE1-OD1 2.99Å
57L94.2Very high95.2Very high35 Ų3570.6 Ų70.618%0.18336%0.363CS..  trans-136144.1174.3-72.9-177.8000111.1C13 A16 V18 A45C13-L57 HydrophobicContact CB-CD1 4.34Å; A16-L57 HydrophobicContact CB-CD1 4.2Å; A16-L57 HydrophobicContact CB-CD2 3.75Å; V18-L57 HydrophobicContact CG2-CD1 3.29Å; V18-L57 HydrophobicContact CG2-CG 4.1Å; A45-L57 CarbonylContact C-O 3.51Å; A45-L57 PolarHBondContact O-N 3.24Å
58H93.6Very high95.2Very high119 Ų11972.8 Ų72.855%0.55137%0.371SS*.  trans-109.1128.8171.1-172.278.4000110.7Y60H58-Y60 AromaticContact CD2-CD1 3.67Å; H58-Y60 AromaticContact CD2-CE1 3.51Å; H58-Y60 AromaticContact CD2-CZ 3.7Å
59F94.4Very high95.2Very high21 Ų2175.1 Ų75.19%0.09238%0.38CS..  trans-96.8106.7177.7-61-76.9000110.6I9 I12 T43 T44 A61 V64I9-F59 HydrophobicContact CD1-CD1 3.98Å; I9-F59 HydrophobicContact CD1-CE1 4.15Å; I9-F59 HydrophobicContact CD1-CG 4.48Å; I9-F59 HydrophobicContact CG2-CE1 3.76Å; I9-F59 HydrophobicContact CG2-CZ 3.77Å; I12-F59 HydrophobicContact CB-CD1 4.5Å; I12-F59 HydrophobicContact CB-CE1 4.28Å; I12-F59 HydrophobicContact CD1-CD1 4.17Å; I12-F59 HydrophobicContact CG2-CD1 4.02Å; I12-F59 HydrophobicContact CG2-CE1 3.92Å; T43-F59 HydrophobicContact CG2-CD2 4.02Å; T43-F59 HydrophobicContact CG2-CE2 3.6Å; T43-F59 HydrophobicContact CG2-CZ 4.09Å; T44-F59 WeakPolarHBondContact O-CE2 3.15Å; F59-A61 PolarHBondContact O-N 3.06Å; F59-V64 HydrophobicContact CB-CG2 4.19Å
60Y93.3Very high95.1Very high150 Ų15079 Ų7959%0.58839%0.392SS*.  trans-73.8120.7176.5-61.6-82000111.1H58 R62 K63 V64H58-Y60 AromaticContact CD2-CD1 3.67Å; H58-Y60 AromaticContact CD2-CE1 3.51Å; H58-Y60 AromaticContact CD2-CZ 3.7Å; Y60-R62 PolarHBondContact O-N 3.29Å; Y60-R62 VanDerWaalsContact O-N 3.14Å; Y60-K63 PolarHBondContact O-N 3.47Å; Y60-V64 PolarHBondContact O-N 2.97Å
61A93.3Very high95.2Very high38 Ų3876.3 Ų76.331%0.31436%0.363SS..Hα-helixtrans-50.1-43.1-179.800000112.4F59 K63 V64 M65 V115F59-A61 PolarHBondContact O-N 3.06Å; A61-K63 PolarHBondContact O-N 2.68Å; A61-V64 PolarHBondContact O-N 2.98Å; A61-M65 HydrophobicContact CB-CE 4.17Å; A61-M65 VanDerWaalsContact O-CB 3.27Å; A61-M65 WeakPolarHBondContact O-CB 3.4Å; A61-M65 WeakPolarHBondContact O-CE 3.47Å; A61-M65 WeakPolarHBondContact O-CG 3.46Å; A61-M65 PolarHBondContact O-N 3.14Å; A61-V115 HydrophobicContact CB-CB 4.2Å; A61-V115 HydrophobicContact CB-CG2 4.01Å
62R93.8Very high95.2Very high213 Ų21374.4 Ų74.480%0.80434%0.34SS*.Hα-helixtrans-58.8-42.1177.9-172.817263.8-157.7-0.7113.2Y60 S66Y60-R62 PolarHBondContact O-N 3.29Å; Y60-R62 VanDerWaalsContact O-N 3.14Å; R62-S66 WeakPolarHBondContact O-CB 3.47Å; R62-S66 PolarHBondContact O-N 3.36Å; R62-S66 VanDerWaalsContact O-N 3.08Å
63K94.9Very high95.3Very high87 Ų8770 Ų7038%0.37832%0.321SS..Hα-helixtrans-68.3-48.7178.1-173.1174.8-178.2-178.30110.3I12 Y60 A61 M65 S66 M67I12-K63 HydrophobicContact CD1-CD 4.38Å; I12-K63 HydrophobicContact CD1-CG 4.43Å; I12-K63 HydrophobicContact CG1-CD 4.33Å; Y60-K63 PolarHBondContact O-N 3.47Å; A61-K63 PolarHBondContact O-N 2.68Å; K63-M65 PolarHBondContact O-N 3.09Å; K63-S66 PolarHBondContact O-N 3.39Å; K63-M67 HydrophobicContact CG-SD 3.97Å; K63-M67 WeakPolarHBondContact O-CG 3.31Å; K63-M67 PolarHBondContact O-N 3.47Å
64V95.9Very high95.3Very high13 Ų1371.2 Ų71.28%0.07932%0.316CS..Hα-helixtrans-58.5-47.9178.1175.70000111.2V8 I9 I12 F59 Y60 A61 S66 M67 W68 V113V8-V64 HydrophobicContact CG1-CB 4.44Å; V8-V64 HydrophobicContact CG1-CG1 4.08Å; I9-V64 HydrophobicContact CD1-CG2 4.36Å; I12-V64 HydrophobicContact CD1-CG2 4.05Å; F59-V64 HydrophobicContact CB-CG2 4.19Å; Y60-V64 PolarHBondContact O-N 2.97Å; A61-V64 PolarHBondContact O-N 2.98Å; V64-S66 PolarHBondContact O-N 3.33Å; V64-M67 PolarHBondContact O-N 3.08Å; V64-W68 WeakPolarHBondContact O-CB 3.43Å; V64-W68 PolarHBondContact O-N 3.16Å; V64-V113 HydrophobicContact CG1-CG1 4.16Å
65M95.5Very high95.4Very high39 Ų3970.1 Ų70.119%0.19232%0.317CS..Hα-helixtrans-59.8-45.5178-74-174.5-6200112.3A61 K63 R69 V113A61-M65 HydrophobicContact CB-CE 4.17Å; A61-M65 VanDerWaalsContact O-CB 3.27Å; A61-M65 WeakPolarHBondContact O-CB 3.4Å; A61-M65 WeakPolarHBondContact O-CE 3.47Å; A61-M65 WeakPolarHBondContact O-CG 3.46Å; A61-M65 PolarHBondContact O-N 3.14Å; K63-M65 PolarHBondContact O-N 3.09Å; M65-R69 WeakPolarHBondContact O-CB 3.48Å; M65-R69 PolarHBondContact O-N 2.9Å; M65-V113 HydrophobicContact CG-CB 3.53Å; M65-V113 HydrophobicContact CG-CG2 3.73Å; M65-V113 HydrophobicContact SD-CB 4.44Å; M65-V113 PolarHBondContact SD-N 3.38Å
66S95.3Very high95.4Very high50 Ų5068.7 Ų68.735%0.3531%0.313SS..Hα-helixtrans-62.2-48.4179177.60000111.8R62 K63 V64 R69 Y70R62-S66 WeakPolarHBondContact O-CB 3.47Å; R62-S66 PolarHBondContact O-N 3.36Å; R62-S66 VanDerWaalsContact O-N 3.08Å; K63-S66 PolarHBondContact O-N 3.39Å; V64-S66 PolarHBondContact O-N 3.33Å; S66-R69 PolarHBondContact O-N 3.34Å; S66-Y70 WeakPolarHBondContact O-CB 3.34Å; S66-Y70 PolarHBondContact O-N 3.02Å
67M96.8Very high95.5Very high26 Ų2664.2 Ų64.213%0.12829%0.291CS..Hα-helixtrans-64.8-42.9178.9-66.7175.374.300112V8 E11 I12 K63 V64 R71V8-M67 HydrophobicContact CB-CB 4.48Å; V8-M67 HydrophobicContact CG1-CB 3.84Å; V8-M67 HydrophobicContact CG1-CE 4.42Å; V8-M67 HydrophobicContact CG1-SD 4.17Å; V8-M67 HydrophobicContact CG2-CB 4Å; E11-M67 HydrophobicContact CB-CE 3.88Å; E11-M67 HydrophobicContact CG-CE 3.88Å; E11-M67 VanDerWaalsContact OE2-CE 3.22Å; E11-M67 WeakPolarHBondContact OE2-CE 3.46Å; I12-M67 HydrophobicContact CD1-SD 3.89Å; I12-M67 HydrophobicContact CG1-CE 4.2Å; I12-M67 HydrophobicContact CG1-SD 3.77Å; K63-M67 HydrophobicContact CG-SD 3.97Å; K63-M67 WeakPolarHBondContact O-CG 3.31Å; K63-M67 PolarHBondContact O-N 3.47Å; V64-M67 PolarHBondContact O-N 3.08Å; M67-R71 WeakPolarHBondContact O-CB 3.19Å; M67-R71 VanDerWaalsContact O-CG 3.26Å; M67-R71 WeakPolarHBondContact O-CG 3.43Å; M67-R71 PolarHBondContact O-N 3.45Å
68W96Very high95.7Very high47 Ų4770.4 Ų70.418%0.17831%0.312CS..Hα-helixtrans-59.9-51.9176.5172.4-114.4000111.4I4 A5 V8 I39 V64 Y70 R71 I72 W111 V113I4-W68 HydrophobicContact CB-CZ3 4.04Å; I4-W68 HydrophobicContact CG2-CE3 3.89Å; I4-W68 HydrophobicContact CG2-CZ3 3.64Å; A5-W68 HydrophobicContact CB-CE3 4.28Å; A5-W68 HydrophobicContact CB-CH2 4.38Å; A5-W68 HydrophobicContact CB-CZ3 3.73Å; V8-W68 HydrophobicContact CG2-CB 4.4Å; I39-W68 HydrophobicContact CD1-CH2 4.05Å; V64-W68 WeakPolarHBondContact O-CB 3.43Å; V64-W68 PolarHBondContact O-N 3.16Å; W68-Y70 PolarHBondContact O-N 3.46Å; W68-R71 PolarHBondContact O-N 2.9Å; W68-I72 HydrophobicContact CD2-CD1 4.48Å; W68-I72 HydrophobicContact CD2-CG1 3.8Å; W68-I72 HydrophobicContact CE3-CD1 4.26Å; W68-I72 HydrophobicContact CE3-CG1 3.95Å; W68-I72 HydrophobicContact CH2-CD1 3.31Å; W68-I72 HydrophobicContact CH2-CG1 3.72Å; W68-I72 HydrophobicContact CZ2-CD1 3.54Å; W68-I72 HydrophobicContact CZ2-CG1 3.53Å; W68-I72 HydrophobicContact CZ3-CD1 3.69Å; W68-I72 HydrophobicContact CZ3-CG1 3.91Å; W68-I72 WeakPolarHBondContact O-CG1 3.36Å; W68-I72 PolarHBondContact O-N 3.37Å; W68-W111 AromaticContact CD1-CE3 3.79Å; W68-W111 AromaticContact CD1-CZ3 4Å; W68-W111 AromaticContact NE1-CE3 3.86Å; W68-W111 AromaticContact NE1-CZ3 3.72Å; W68-V113 HydrophobicContact CG-CG2 4.38Å
69R96.2Very high95.8Very high53 Ų5369.5 Ų69.520%0.231%0.306CS..Hα-helixtrans-56.9-49.2179.6-176.7173.867.8-136.6-3.7111.4M65 S66 R71 I72 T73 Y107 W111M65-R69 WeakPolarHBondContact O-CB 3.48Å; M65-R69 PolarHBondContact O-N 2.9Å; S66-R69 PolarHBondContact O-N 3.34Å; R69-R71 PolarHBondContact O-N 3.49Å; R69-I72 PolarHBondContact O-N 3.05Å; R69-T73 WeakPolarHBondContact O-CG2 3.42Å; R69-T73 PolarHBondContact O-N 3.44Å; R69-T73 PolarHBondContact O-OG1 3.42Å; R69-T73 VanDerWaalsContact O-OG1 3.08Å; R69-Y107 HydrophobicContact CB-CE2 4.43Å; R69-Y107 WeakPolarHBondContact CD-O 3.4Å; R69-Y107 HydrophobicContact CG-CD2 3.58Å; R69-Y107 HydrophobicContact CG-CE2 3.73Å; R69-Y107 HydrophobicContact CG-CG 4.4Å; R69-Y107 PolarHBondContact NE-O 2.83Å; R69-W111 HydrophobicContact CB-CD2 4.04Å; R69-W111 HydrophobicContact CB-CE3 4.16Å; R69-W111 HydrophobicContact CB-CG 4.28Å; R69-W111 VanDerWaalsContact CD-CD1 3.43Å; R69-W111 HydrophobicContact CG-CD2 3.73Å; R69-W111 HydrophobicContact CG-CE3 4.26Å; R69-W111 HydrophobicContact CG-CG 3.95Å; R69-W111 HydrophobicContact CG-CZ2 4.19Å
70Y96.5Very high96Very high106 Ų10670.8 Ų70.842%0.41631%0.311SS..Hα-helixtrans-58.1-46.1176.3171.8-101.9000112.7S66 W68 I72 T73 R74S66-Y70 WeakPolarHBondContact O-CB 3.34Å; S66-Y70 PolarHBondContact O-N 3.02Å; W68-Y70 PolarHBondContact O-N 3.46Å; Y70-I72 PolarHBondContact O-N 3.14Å; Y70-T73 PolarHBondContact O-OG1 3.09Å; Y70-R74 WeakPolarHBondContact O-CB 3.5Å; Y70-R74 PolarHBondContact O-N 3.37Å; Y70-R74 PolarHBondContact OH-NH1 3.38Å
71R96.5Very high96.1Very high64 Ų6468.6 Ų68.624%0.24232%0.315CS..Hα-helixtrans-69-34.2-177.2-71.3168.1166.8-91.1-0.2112.5I4 D7 E11 M67 W68 R69 L75I4-R71 HydrophobicContact CG2-CB 3.41Å; I4-R71 VanDerWaalsContact CG2-CB 3.41Å; I4-R71 HydrophobicContact CG2-CG 4.31Å; D7-R71 VanDerWaalsContact CB-NH1 3.35Å; E11-R71 IonicContact OE2-CZ 3.43Å; E11-R71 IonicContact OE2-NE 3.45Å; E11-R71 IonicContact OE2-NH2 2.67Å; E11-R71 PolarHBondContact OE2-NH2 3.12Å; M67-R71 WeakPolarHBondContact O-CB 3.19Å; M67-R71 VanDerWaalsContact O-CG 3.26Å; M67-R71 WeakPolarHBondContact O-CG 3.43Å; M67-R71 PolarHBondContact O-N 3.45Å; W68-R71 PolarHBondContact O-N 2.9Å; R69-R71 PolarHBondContact O-N 3.49Å; R71-L75 WeakPolarHBondContact O-CB 3.43Å; R71-L75 PolarHBondContact O-N 2.87Å
72I95.7Very high96.3Very high17 Ų1771.8 Ų71.89%0.08733%0.327CS..Hα-helixtrans-72-48.1177-66.3-69000111.4I4 W68 R69 Y70 R74 L75 L76 W111I4-I72 HydrophobicContact CD1-CD1 4.38Å; I4-I72 HydrophobicContact CG2-CD1 4.32Å; W68-I72 HydrophobicContact CD2-CD1 4.48Å; W68-I72 HydrophobicContact CD2-CG1 3.8Å; W68-I72 HydrophobicContact CE3-CD1 4.26Å; W68-I72 HydrophobicContact CE3-CG1 3.95Å; W68-I72 HydrophobicContact CH2-CD1 3.31Å; W68-I72 HydrophobicContact CH2-CG1 3.72Å; W68-I72 HydrophobicContact CZ2-CD1 3.54Å; W68-I72 HydrophobicContact CZ2-CG1 3.53Å; W68-I72 HydrophobicContact CZ3-CD1 3.69Å; W68-I72 HydrophobicContact CZ3-CG1 3.91Å; W68-I72 WeakPolarHBondContact O-CG1 3.36Å; W68-I72 PolarHBondContact O-N 3.37Å; R69-I72 PolarHBondContact O-N 3.05Å; Y70-I72 PolarHBondContact O-N 3.14Å; I72-R74 VanDerWaalsContact C-N 3.29Å; I72-R74 PolarHBondContact O-N 2.95Å; I72-L75 WeakPolarHBondContact O-CB 3.46Å; I72-L75 PolarHBondContact O-N 3.45Å; I72-L75 VanDerWaalsContact O-N 3.14Å; I72-L76 HydrophobicContact CG2-CD1 4.1Å; I72-L76 WeakPolarHBondContact O-CG 2.92Å; I72-L76 PolarHBondContact O-N 2.67Å; I72-W111 HydrophobicContact CB-CH2 4.12Å; I72-W111 HydrophobicContact CB-CZ3 4.2Å; I72-W111 HydrophobicContact CG1-CZ3 4.48Å; I72-W111 HydrophobicContact CG2-CH2 3.78Å; I72-W111 HydrophobicContact CG2-CZ3 4.18Å
73T96.2Very high96.4Very high18 Ų1864.8 Ų64.811%0.1131%0.305CS..Hα-helixtrans-63.9-38.3177.3570000111.4R69 Y70 L75 L76 S77 Y107 W111R69-T73 WeakPolarHBondContact O-CG2 3.42Å; R69-T73 PolarHBondContact O-N 3.44Å; R69-T73 PolarHBondContact O-OG1 3.42Å; R69-T73 VanDerWaalsContact O-OG1 3.08Å; Y70-T73 PolarHBondContact O-OG1 3.09Å; T73-L75 PolarHBondContact O-N 3.49Å; T73-L76 PolarHBondContact O-N 3.11Å; T73-S77 VanDerWaalsContact O-CB 3.23Å; T73-S77 WeakPolarHBondContact O-CB 3.28Å; T73-S77 PolarHBondContact O-N 3.05Å; T73-Y107 HydrophobicContact CG2-CD2 3.76Å; T73-Y107 HydrophobicContact CG2-CG 4.45Å; T73-Y107 WeakPolarHBondContact OG1-CD2 3.24Å; T73-W111 HydrophobicContact CG2-CZ2 4.44Å
74R97Very high96.4Very high105 Ų10567.3 Ų67.340%0.39633%0.327SS..Hα-helixtrans-62.4-40.9172.6-172-179.5-172.1-177.52.7112.5Y70 I72 R78Y70-R74 WeakPolarHBondContact O-CB 3.5Å; Y70-R74 PolarHBondContact O-N 3.37Å; Y70-R74 PolarHBondContact OH-NH1 3.38Å; I72-R74 VanDerWaalsContact C-N 3.29Å; I72-R74 PolarHBondContact O-N 2.95Å; R74-R78 VanDerWaalsContact NE-CZ 3.3Å; R74-R78 WeakPolarHBondContact O-CB 3.29Å; R74-R78 VanDerWaalsContact O-CG 3.28Å; R74-R78 WeakPolarHBondContact O-CG 3.47Å; R74-R78 PolarHBondContact O-N 3.29Å
75L96.9Very high96.3Very high60 Ų6068.9 Ų68.931%0.31434%0.335SS..Hα-helixtrans-60.8-54.6175.3172.368.7000110.6I4 R71 I72 T73 S77 R78 K79I4-L75 HydrophobicContact CD1-CB 3.95Å; I4-L75 HydrophobicContact CD1-CD1 4.42Å; I4-L75 HydrophobicContact CD1-CD2 3.52Å; I4-L75 HydrophobicContact CD1-CG 4.15Å; R71-L75 WeakPolarHBondContact O-CB 3.43Å; R71-L75 PolarHBondContact O-N 2.87Å; I72-L75 WeakPolarHBondContact O-CB 3.46Å; I72-L75 PolarHBondContact O-N 3.45Å; I72-L75 VanDerWaalsContact O-N 3.14Å; T73-L75 PolarHBondContact O-N 3.49Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.11Å; L75-R78 PolarHBondContact O-N 2.9Å; L75-R78 VanDerWaalsContact O-N 3.15Å; L75-K79 HydrophobicContact CD1-CG 3.85Å; L75-K79 WeakPolarHBondContact O-CB 3.29Å; L75-K79 PolarHBondContact O-N 3.27Å
76L96.2Very high96.2Very high59 Ų5970.3 Ų70.331%0.30935%0.347SS..Hα-helixtrans-61.6-37.2-178-68.8174.7000111.8I72 T73 Y80 W99 L103I72-L76 HydrophobicContact CG2-CD1 4.1Å; I72-L76 WeakPolarHBondContact O-CG 2.92Å; I72-L76 PolarHBondContact O-N 2.67Å; T73-L76 PolarHBondContact O-N 3.11Å; L76-Y80 PolarHBondContact O-N 3.1Å; L76-W99 HydrophobicContact CB-CZ2 4.23Å; L76-W99 PolarHBondContact O-NE1 3.24Å; L76-L103 HydrophobicContact CB-CD1 3.94Å; L76-L103 HydrophobicContact CB-CD2 3.89Å; L76-L103 HydrophobicContact CD1-CD2 3.81Å
77S97.6Very high96.1Very high29 Ų2975.3 Ų75.320%0.20337%0.37CS..Hα-helixtrans-62.7-52.8173.3-173.70000110.2T73 L75 K79 Y80 K96 N100T73-S77 VanDerWaalsContact O-CB 3.23Å; T73-S77 WeakPolarHBondContact O-CB 3.28Å; T73-S77 PolarHBondContact O-N 3.05Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.11Å; S77-K79 VanDerWaalsContact C-N 3.3Å; S77-K79 PolarHBondContact O-N 2.94Å; S77-Y80 WeakPolarHBondContact O-CB 3.42Å; S77-Y80 PolarHBondContact O-N 3.08Å; S77-K96 WeakPolarHBondContact O-CE 3.29Å; S77-K96 PolarHBondContact O-NZ 3.41Å; S77-K96 PolarHBondContact OG-NZ 3.27Å; S77-N100 PolarHBondContact OG-OD1 3.08Å
78R97.5Very high96.1Very high164 Ų16478.6 Ų78.662%0.61940%0.401SS*.Hα-helixtrans-62.9-34.8-177.8-76.9175.2166-168.3-14.1113.9R74 L75 Y80R74-R78 VanDerWaalsContact NE-CZ 3.3Å; R74-R78 WeakPolarHBondContact O-CB 3.29Å; R74-R78 VanDerWaalsContact O-CG 3.28Å; R74-R78 WeakPolarHBondContact O-CG 3.47Å; R74-R78 PolarHBondContact O-N 3.29Å; L75-R78 PolarHBondContact O-N 2.9Å; L75-R78 VanDerWaalsContact O-N 3.15Å; R78-Y80 VanDerWaalsContact C-N 3.32Å
79K96.9Very high96.1Very high100 Ų10078.6 Ų78.644%0.43540%0.404SS..THydrogen-bonded Turntrans-84.9-0.8-177.5-74.9-61.4-166.6-178.80114.6L75 S77 P81 D82 L83L75-K79 HydrophobicContact CD1-CG 3.85Å; L75-K79 WeakPolarHBondContact O-CB 3.29Å; L75-K79 PolarHBondContact O-N 3.27Å; S77-K79 VanDerWaalsContact C-N 3.3Å; S77-K79 PolarHBondContact O-N 2.94Å; K79-P81 VanDerWaalsContact C-N 3.31Å; K79-P81 VanDerWaalsContact O-N 3.15Å; K79-D82 HydrophobicContact CD-CB 4.41Å; K79-D82 WeakPolarHBondContact CD-OD2 3.47Å; K79-D82 WeakPolarHBondContact CE-OD2 3.26Å; K79-D82 IonicContact NZ-OD2 2.71Å; K79-D82 PolarHBondContact NZ-OD2 3.44Å; K79-D82 WeakPolarHBondContact O-CA 3.35Å; K79-D82 WeakPolarHBondContact O-CB 3.4Å; K79-D82 PolarHBondContact O-N 3.23Å; K79-L83 WeakPolarHBondContact O-CG 3.21Å; K79-L83 PolarHBondContact O-N 3.14Å
80Y97.7Very high96.1Very high49 Ų4978.9 Ų78.919%0.19242%0.417CS..G310 helixtrans-43.6-47178.3172.4-92.8000114.9L76 S77 R78 D82 L83 M85 G93 S95 K96 W99L76-Y80 PolarHBondContact O-N 3.1Å; S77-Y80 WeakPolarHBondContact O-CB 3.42Å; S77-Y80 PolarHBondContact O-N 3.08Å; R78-Y80 VanDerWaalsContact C-N 3.32Å; Y80-D82 PolarHBondContact O-N 3.43Å; Y80-D82 VanDerWaalsContact O-N 3.15Å; Y80-L83 PolarHBondContact O-N 3.17Å; Y80-M85 HydrophobicContact CD2-CE 3.78Å; Y80-M85 HydrophobicContact CE2-CE 3.92Å; Y80-G93 PolarHBondContact OH-O 3.26Å; Y80-G93 VanDerWaalsContact OH-O 3.08Å; Y80-S95 VanDerWaalsContact CZ-C 3.49Å; Y80-S95 WeakPolarHBondContact OH-CA 3.44Å; Y80-S95 PolarHBondContact OH-N 2.86Å; Y80-K96 HydrophobicContact CD1-CB 3.97Å; Y80-K96 HydrophobicContact CD1-CD 3.49Å; Y80-K96 VanDerWaalsContact CD1-CD 3.49Å; Y80-K96 HydrophobicContact CD1-CG 4.31Å; Y80-K96 HydrophobicContact CD2-CD 4.42Å; Y80-K96 HydrophobicContact CE1-CB 3.82Å; Y80-K96 HydrophobicContact CE1-CD 4.22Å; Y80-K96 HydrophobicContact CG-CD 3.61Å; Y80-K96 PolarHBondContact OH-N 3.3Å; Y80-W99 HydrophobicContact CD2-CB 3.6Å; Y80-W99 AromaticContact CD2-CD1 3.44Å; Y80-W99 VanDerWaalsContact CD2-CD1 3.44Å; Y80-W99 HydrophobicContact CD2-CD2 4.21Å; Y80-W99 AromaticContact CD2-CG 3.46Å; Y80-W99 HydrophobicContact CD2-CG 3.46Å; Y80-W99 VanDerWaalsContact CD2-CG 3.46Å; Y80-W99 HydrophobicContact CE2-CB 3.71Å; Y80-W99 HydrophobicContact CE2-CG 4.04Å; Y80-W99 AromaticContact CG-CD1 3.97Å; Y80-W99 HydrophobicContact CG-CG 4.39Å
81P96.9Very high96.1Very high104 Ų10477.2 Ų77.268%0.67543%0.425SS*.G310 helixtrans-62.8-21.5179.4-21.434.2000114.4K79K79-P81 VanDerWaalsContact C-N 3.31Å; K79-P81 VanDerWaalsContact O-N 3.15Å
82D97Very high96.2Very high105 Ų10577.3 Ų77.356%0.56143%0.429SS*.G310 helixtrans-99.7-4-177.3-51.1-27.2000112.5K79 Y80K79-D82 HydrophobicContact CD-CB 4.41Å; K79-D82 WeakPolarHBondContact CD-OD2 3.47Å; K79-D82 WeakPolarHBondContact CE-OD2 3.26Å; K79-D82 IonicContact NZ-OD2 2.71Å; K79-D82 PolarHBondContact NZ-OD2 3.44Å; K79-D82 WeakPolarHBondContact O-CA 3.35Å; K79-D82 WeakPolarHBondContact O-CB 3.4Å; K79-D82 PolarHBondContact O-N 3.23Å; Y80-D82 PolarHBondContact O-N 3.43Å; Y80-D82 VanDerWaalsContact O-N 3.15Å
83L95Very high96.2Very high65 Ų6576.9 Ų76.934%0.3443%0.429SS..PPolyproline II helixtrans-86.3130.8-175.3-72.1178000110.7K79 Y80 M85 W99K79-L83 WeakPolarHBondContact O-CG 3.21Å; K79-L83 PolarHBondContact O-N 3.14Å; Y80-L83 PolarHBondContact O-N 3.17Å; L83-M85 HydrophobicContact CB-CE 3.4Å; L83-M85 VanDerWaalsContact CB-CE 3.4Å; L83-M85 HydrophobicContact CB-SD 4.43Å; L83-M85 HydrophobicContact CD1-CE 3.82Å; L83-M85 HydrophobicContact CG-CE 4.25Å; L83-W99 HydrophobicContact CD1-CZ2 3.72Å
84V94.5Very high96.3Very high140 Ų14079.9 Ų79.985%0.84845%0.45SS*.PPolyproline II helixtrans-85.4116.4165.1-177.90000107.7
85M93.8Very high96.3Very high47 Ų4776.9 Ų76.923%0.23245%0.445CS..PPolyproline II helixtrans-82.8125.6-178.4-62.6-59.7161.500110Y80 L83 W99Y80-M85 HydrophobicContact CD2-CE 3.78Å; Y80-M85 HydrophobicContact CE2-CE 3.92Å; L83-M85 HydrophobicContact CB-CE 3.4Å; L83-M85 VanDerWaalsContact CB-CE 3.4Å; L83-M85 HydrophobicContact CB-SD 4.43Å; L83-M85 HydrophobicContact CD1-CE 3.82Å; L83-M85 HydrophobicContact CG-CE 4.25Å; M85-W99 HydrophobicContact CE-CD2 4.47Å; M85-W99 HydrophobicContact CE-CE3 4.47Å; M85-W99 HydrophobicContact SD-CE3 4.5Å; M85-W99 HydrophobicContact SD-CZ3 4.3Å
86P93.2Very high96.3Very high69 Ų6977.4 Ų77.445%0.44845%0.445SS..PPolyproline II helixtrans-69.5153.8169.230.8-34.1000109.9A88 L89 A90P86-A88 PolarHBondContact O-N 2.97Å; P86-A88 VanDerWaalsContact O-N 3.11Å; P86-L89 HydrophobicContact CG-CB 4.11Å; P86-L89 HydrophobicContact CG-CD1 3.85Å; P86-L89 HydrophobicContact CG-CG 3.99Å; P86-L89 CarbonylContact O-C 3.6Å; P86-L89 WeakPolarHBondContact O-CA 3.49Å; P86-L89 PolarHBondContact O-N 2.68Å; P86-A90 PolarHBondContact O-N 2.83Å
87D95Very high96.4Very high155 Ų15582.9 Ų82.983%0.82946%0.462SS*.G310 helixtrans-54.2-35.7-179.9-63.9-20.8000112.7L89 A90D87-L89 PolarHBondContact O-N 2.94Å; D87-A90 VanDerWaalsContact O-CB 3.3Å; D87-A90 WeakPolarHBondContact O-CB 3.17Å; D87-A90 PolarHBondContact O-N 3.31Å
88A95.4Very high96.4Very high94 Ų9483.8 Ų83.878%0.77746%0.463SS*.G310 helixtrans-61.1-14.4176.100000114.4P86P86-A88 PolarHBondContact O-N 2.97Å; P86-A88 VanDerWaalsContact O-N 3.11Å
89L95.9Very high96.5Very high48 Ų4876.7 Ų76.725%0.25144%0.436SS..G310 helixtrans-120.719.7177.4-62.5177.7000111.9P86 D87 A91 E92 G93 F102P86-L89 HydrophobicContact CG-CB 4.11Å; P86-L89 HydrophobicContact CG-CD1 3.85Å; P86-L89 HydrophobicContact CG-CG 3.99Å; P86-L89 CarbonylContact O-C 3.6Å; P86-L89 WeakPolarHBondContact O-CA 3.49Å; P86-L89 PolarHBondContact O-N 2.68Å; D87-L89 PolarHBondContact O-N 2.94Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 2.91Å; L89-E92 WeakPolarHBondContact CA-OE2 3.36Å; L89-E92 PolarHBondContact O-N 2.8Å; L89-G93 WeakPolarHBondContact O-CA 3.27Å; L89-G93 PolarHBondContact O-N 3.07Å; L89-F102 HydrophobicContact CD2-CZ 4.22Å
90A96.7Very high96.5Very high58 Ų5874.3 Ų74.348%0.47943%0.428SS..THydrogen-bonded Turntrans-60.3-38.1-17700000112.8P86 D87 S94P86-A90 PolarHBondContact O-N 2.83Å; D87-A90 VanDerWaalsContact O-CB 3.3Å; D87-A90 WeakPolarHBondContact O-CB 3.17Å; D87-A90 PolarHBondContact O-N 3.31Å; A90-S94 WeakPolarHBondContact O-CB 3.47Å; A90-S94 PolarHBondContact O-N 2.66Å; A90-S94 VanDerWaalsContact O-N 3.07Å
91A97Very high96.6Very high71 Ų7177.5 Ų77.559%0.58744%0.44SS*.THydrogen-bonded Turntrans-68.7-49.1178.800000111.6L89 G93 S94L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 2.91Å; A91-G93 VanDerWaalsContact C-N 3.33Å; A91-G93 PolarHBondContact O-N 2.75Å; A91-S94 WeakPolarHBondContact O-CB 3.23Å; A91-S94 PolarHBondContact O-N 2.88Å; A91-S94 PolarHBondContact O-OG 3.04Å
92E97.4Very high96.6Very high66 Ų6674.8 Ų74.831%0.30842%0.418SS..THydrogen-bonded Turntrans-66.7-35.4178.4-65.277.7-176.200112.1L89 S94 E98 W99 F102L89-E92 WeakPolarHBondContact CA-OE2 3.36Å; L89-E92 PolarHBondContact O-N 2.8Å; E92-S94 VanDerWaalsContact C-N 3.35Å; E92-E98 CarbonylContact O-C 3.56Å; E92-E98 VanDerWaalsContact O-C 3.22Å; E92-E98 WeakPolarHBondContact O-CB 3.47Å; E92-W99 WeakPolarHBondContact O-CA 3.4Å; E92-W99 PolarHBondContact O-N 3.45Å; E92-F102 HydrophobicContact CB-CB 3.97Å; E92-F102 HydrophobicContact CB-CD1 4.47Å; E92-F102 HydrophobicContact CB-CD2 4.21Å; E92-F102 HydrophobicContact CB-CG 3.97Å; E92-F102 HydrophobicContact CG-CB 3.9Å; E92-F102 HydrophobicContact CG-CD2 3.48Å; E92-F102 VanDerWaalsContact CG-CD2 3.48Å; E92-F102 HydrophobicContact CG-CE2 4.09Å; E92-F102 HydrophobicContact CG-CG 3.75Å
93G97.1Very high96.6Very high9 Ų970.2 Ų70.29%0.09339%0.393CS..THydrogen-bonded Turntrans-84.4-3.318000000114.5Y80 L89 A91 S95Y80-G93 PolarHBondContact OH-O 3.26Å; Y80-G93 VanDerWaalsContact OH-O 3.08Å; L89-G93 WeakPolarHBondContact O-CA 3.27Å; L89-G93 PolarHBondContact O-N 3.07Å; A91-G93 VanDerWaalsContact C-N 3.33Å; A91-G93 PolarHBondContact O-N 2.75Å; G93-S95 PolarHBondContact O-N 3.42Å
94S96.8Very high96.8Very high80 Ų8071.4 Ų71.456%0.55940%0.4SS*.SBendtrans-61.8-28.6-174.2610000114.3A90 A91 E92A90-S94 WeakPolarHBondContact O-CB 3.47Å; A90-S94 PolarHBondContact O-N 2.66Å; A90-S94 VanDerWaalsContact O-N 3.07Å; A91-S94 WeakPolarHBondContact O-CB 3.23Å; A91-S94 PolarHBondContact O-N 2.88Å; A91-S94 PolarHBondContact O-OG 3.04Å; E92-S94 VanDerWaalsContact C-N 3.35Å
95S97.6Very high96.9Very high42 Ų4267.4 Ų67.429%0.29438%0.376SS..SBendtrans-154.3160.9175.272.30000111.2Y80 G93 R97 E98 W99Y80-S95 VanDerWaalsContact CZ-C 3.49Å; Y80-S95 WeakPolarHBondContact OH-CA 3.44Å; Y80-S95 PolarHBondContact OH-N 2.86Å; G93-S95 PolarHBondContact O-N 3.42Å; S95-R97 PolarHBondContact O-N 2.99Å; S95-R97 VanDerWaalsContact O-N 3.12Å; S95-R97 PolarHBondContact OG-N 3.25Å; S95-E98 PolarHBondContact O-N 2.87Å; S95-E98 PolarHBondContact OG-N 2.9Å; S95-W99 WeakPolarHBondContact O-CB 3.23Å; S95-W99 PolarHBondContact O-N 3.14Å
96K97.8Very high97Very high71 Ų7168 Ų6831%0.30938%0.378SS..Hα-helixtrans-55.7-32.4174.8-178.961.5-174.2140.30112.8S77 Y80 N100S77-K96 WeakPolarHBondContact O-CE 3.29Å; S77-K96 PolarHBondContact O-NZ 3.41Å; S77-K96 PolarHBondContact OG-NZ 3.27Å; Y80-K96 HydrophobicContact CD1-CB 3.97Å; Y80-K96 HydrophobicContact CD1-CD 3.49Å; Y80-K96 VanDerWaalsContact CD1-CD 3.49Å; Y80-K96 HydrophobicContact CD1-CG 4.31Å; Y80-K96 HydrophobicContact CD2-CD 4.42Å; Y80-K96 HydrophobicContact CE1-CB 3.82Å; Y80-K96 HydrophobicContact CE1-CD 4.22Å; Y80-K96 HydrophobicContact CG-CD 3.61Å; Y80-K96 PolarHBondContact OH-N 3.3Å; K96-N100 PolarHBondContact NZ-OD1 2.95Å; K96-N100 WeakPolarHBondContact O-CB 3.25Å; K96-N100 VanDerWaalsContact O-CG 3.29Å; K96-N100 PolarHBondContact O-N 3.25Å; K96-N100 VanDerWaalsContact O-N 3.11Å; K96-N100 PolarHBondContact O-ND2 3.3Å
97R98.2Very high97.1Very high174 Ų17468.1 Ų68.166%0.65737%0.37SS*.Hα-helixtrans-70.6-49.6178.6-179.7-178.8177.9-133.16.8111.3S95 W99 N100 R101S95-R97 PolarHBondContact O-N 2.99Å; S95-R97 VanDerWaalsContact O-N 3.12Å; S95-R97 PolarHBondContact OG-N 3.25Å; R97-W99 VanDerWaalsContact C-N 3.29Å; R97-W99 PolarHBondContact O-N 3.32Å; R97-N100 PolarHBondContact O-N 3.02Å; R97-R101 PolarHBondContact O-N 3.16Å
98E98.1Very high97.1Very high49 Ų4969.7 Ų69.723%0.22936%0.364CS..Hα-helixtrans-63.4-39177.2-65.8-48.2129.300111.1E92 S95 N100 R101 F102E92-E98 CarbonylContact O-C 3.56Å; E92-E98 VanDerWaalsContact O-C 3.22Å; E92-E98 WeakPolarHBondContact O-CB 3.47Å; S95-E98 PolarHBondContact O-N 2.87Å; S95-E98 PolarHBondContact OG-N 2.9Å; E98-N100 PolarHBondContact O-N 3.35Å; E98-R101 WeakPolarHBondContact O-CB 3.45Å; E98-R101 PolarHBondContact O-N 3.48Å; E98-R101 VanDerWaalsContact O-N 3.15Å; E98-R101 IonicContact OE1-CZ 2.85Å; E98-R101 IonicContact OE1-NH1 3.74Å; E98-R101 PolarHBondContact OE1-NH1 3.36Å; E98-R101 IonicContact OE1-NH2 3.57Å; E98-R101 IonicContact OE2-CZ 3.37Å; E98-R101 IonicContact OE2-NE 2.71Å; E98-R101 IonicContact OE2-NH1 3.6Å; E98-R101 PolarHBondContact OE2-NH1 2.81Å; E98-F102 PolarHBondContact O-N 3.19Å
99W98.2Very high97Very high14 Ų1472.2 Ų72.25%0.05335%0.354CS..Hα-helixtrans-61.7-44.8176.4-178.3-118.4000112L76 Y80 L83 M85 E92 S95 R97 R101 F102 L103L76-W99 HydrophobicContact CB-CZ2 4.23Å; L76-W99 PolarHBondContact O-NE1 3.24Å; Y80-W99 HydrophobicContact CD2-CB 3.6Å; Y80-W99 AromaticContact CD2-CD1 3.44Å; Y80-W99 VanDerWaalsContact CD2-CD1 3.44Å; Y80-W99 HydrophobicContact CD2-CD2 4.21Å; Y80-W99 AromaticContact CD2-CG 3.46Å; Y80-W99 HydrophobicContact CD2-CG 3.46Å; Y80-W99 VanDerWaalsContact CD2-CG 3.46Å; Y80-W99 HydrophobicContact CE2-CB 3.71Å; Y80-W99 HydrophobicContact CE2-CG 4.04Å; Y80-W99 AromaticContact CG-CD1 3.97Å; Y80-W99 HydrophobicContact CG-CG 4.39Å; L83-W99 HydrophobicContact CD1-CZ2 3.72Å; M85-W99 HydrophobicContact CE-CD2 4.47Å; M85-W99 HydrophobicContact CE-CE3 4.47Å; M85-W99 HydrophobicContact SD-CE3 4.5Å; M85-W99 HydrophobicContact SD-CZ3 4.3Å; E92-W99 WeakPolarHBondContact O-CA 3.4Å; E92-W99 PolarHBondContact O-N 3.45Å; S95-W99 WeakPolarHBondContact O-CB 3.23Å; S95-W99 PolarHBondContact O-N 3.14Å; R97-W99 VanDerWaalsContact C-N 3.29Å; R97-W99 PolarHBondContact O-N 3.32Å; W99-R101 PolarHBondContact O-N 3.37Å; W99-F102 AromaticContact CE3-CD1 3.84Å; W99-F102 HydrophobicContact CE3-CD1 3.84Å; W99-F102 HydrophobicContact CE3-CE1 4.48Å; W99-F102 HydrophobicContact CH2-CD1 4.16Å; W99-F102 HydrophobicContact CH2-CE1 4.08Å; W99-F102 AromaticContact CZ3-CD1 3.57Å; W99-F102 HydrophobicContact CZ3-CD1 3.57Å; W99-F102 AromaticContact CZ3-CE1 3.75Å; W99-F102 HydrophobicContact CZ3-CE1 3.75Å; W99-F102 WeakPolarHBondContact O-CB 3.42Å; W99-F102 PolarHBondContact O-N 3.26Å; W99-L103 HydrophobicContact CD2-CG 4.4Å; W99-L103 HydrophobicContact CG-CD1 4.49Å; W99-L103 HydrophobicContact CZ2-CD2 4.03Å; W99-L103 HydrophobicContact CZ2-CG 4.41Å; W99-L103 VanDerWaalsContact O-CG 3.3Å; W99-L103 WeakPolarHBondContact O-CG 3.43Å; W99-L103 PolarHBondContact O-N 2.8Å
100N98.3Very high96.5Very high51 Ų5173.9 Ų73.927%0.27338%0.382SS..Hα-helixtrans-64.5-39.5175.8-75.5-16.4000111.7S77 K96 R97 E98 F102 L103 D104S77-N100 PolarHBondContact OG-OD1 3.08Å; K96-N100 PolarHBondContact NZ-OD1 2.95Å; K96-N100 WeakPolarHBondContact O-CB 3.25Å; K96-N100 VanDerWaalsContact O-CG 3.29Å; K96-N100 PolarHBondContact O-N 3.25Å; K96-N100 VanDerWaalsContact O-N 3.11Å; K96-N100 PolarHBondContact O-ND2 3.3Å; R97-N100 PolarHBondContact O-N 3.02Å; E98-N100 PolarHBondContact O-N 3.35Å; N100-F102 VanDerWaalsContact C-N 3.32Å; N100-F102 PolarHBondContact O-N 2.91Å; N100-L103 PolarHBondContact O-N 3.18Å; N100-D104 WeakPolarHBondContact O-CB 3.23Å; N100-D104 PolarHBondContact O-N 2.93Å
101R98Very high96.3Very high115 Ų11574.5 Ų74.543%0.43437%0.372SS..Hα-helixtrans-61-41175-178.3-178.1-65.3149.53.9112.1R97 E98 W99 D104 T105R97-R101 PolarHBondContact O-N 3.16Å; E98-R101 WeakPolarHBondContact O-CB 3.45Å; E98-R101 PolarHBondContact O-N 3.48Å; E98-R101 VanDerWaalsContact O-N 3.15Å; E98-R101 IonicContact OE1-CZ 2.85Å; E98-R101 IonicContact OE1-NH1 3.74Å; E98-R101 PolarHBondContact OE1-NH1 3.36Å; E98-R101 IonicContact OE1-NH2 3.57Å; E98-R101 IonicContact OE2-CZ 3.37Å; E98-R101 IonicContact OE2-NE 2.71Å; E98-R101 IonicContact OE2-NH1 3.6Å; E98-R101 PolarHBondContact OE2-NH1 2.81Å; W99-R101 PolarHBondContact O-N 3.37Å; R101-D104 PolarHBondContact O-N 3.1Å; R101-T105 PolarHBondContact O-N 3.35Å; R101-T105 VanDerWaalsContact O-N 3.15Å; R101-T105 PolarHBondContact O-OG1 3.29Å; R101-T105 VanDerWaalsContact O-OG1 3.07Å
102F97.5Very high95.8Very high48 Ų4878.1 Ų78.121%0.21138%0.382CS..Hα-helixtrans-62.1-50.5173.3171.7-107.2000111.2L89 E92 E98 W99 N100 D104 T105 H106L89-F102 HydrophobicContact CD2-CZ 4.22Å; E92-F102 HydrophobicContact CB-CB 3.97Å; E92-F102 HydrophobicContact CB-CD1 4.47Å; E92-F102 HydrophobicContact CB-CD2 4.21Å; E92-F102 HydrophobicContact CB-CG 3.97Å; E92-F102 HydrophobicContact CG-CB 3.9Å; E92-F102 HydrophobicContact CG-CD2 3.48Å; E92-F102 VanDerWaalsContact CG-CD2 3.48Å; E92-F102 HydrophobicContact CG-CE2 4.09Å; E92-F102 HydrophobicContact CG-CG 3.75Å; E98-F102 PolarHBondContact O-N 3.19Å; W99-F102 AromaticContact CE3-CD1 3.84Å; W99-F102 HydrophobicContact CE3-CD1 3.84Å; W99-F102 HydrophobicContact CE3-CE1 4.48Å; W99-F102 HydrophobicContact CH2-CD1 4.16Å; W99-F102 HydrophobicContact CH2-CE1 4.08Å; W99-F102 AromaticContact CZ3-CD1 3.57Å; W99-F102 HydrophobicContact CZ3-CD1 3.57Å; W99-F102 AromaticContact CZ3-CE1 3.75Å; W99-F102 HydrophobicContact CZ3-CE1 3.75Å; W99-F102 WeakPolarHBondContact O-CB 3.42Å; W99-F102 PolarHBondContact O-N 3.26Å; N100-F102 VanDerWaalsContact C-N 3.32Å; N100-F102 PolarHBondContact O-N 2.91Å; F102-D104 VanDerWaalsContact C-N 3.29Å; F102-D104 PolarHBondContact O-N 3.04Å; F102-T105 WeakPolarHBondContact O-CB 3.5Å; F102-T105 PolarHBondContact O-N 3.34Å; F102-T105 VanDerWaalsContact O-N 3.12Å; F102-H106 AromaticContact CD2-CD2 3.86Å; F102-H106 AromaticContact CE1-CD2 3.89Å; F102-H106 AromaticContact CE2-CD2 3.43Å; F102-H106 VanDerWaalsContact CE2-CD2 3.43Å; F102-H106 WeakPolarHBondContact CE2-CD2 3.32Å; F102-H106 AromaticContact CE2-NE2 3.16Å; F102-H106 WeakPolarHBondContact CE2-NE2 3.28Å; F102-H106 AromaticContact CZ-CD2 3.44Å; F102-H106 VanDerWaalsContact CZ-CD2 3.44Å; F102-H106 WeakPolarHBondContact CZ-CD2 3.17Å; F102-H106 AromaticContact CZ-NE2 3.25Å; F102-H106 VanDerWaalsContact CZ-NE2 3.25Å; F102-H106 WeakPolarHBondContact CZ-NE2 3.33Å; F102-H106 PolarHBondContact O-CD2 3.29Å; F102-H106 PolarHBondContact O-N 2.83Å; F102-H106 VanDerWaalsContact O-N 3.13Å
103L97.7Very high95.5Very high9 Ų976.7 Ų76.75%0.04738%0.378CS..Hα-helixtrans-59.2-38.4176.9-69.2-179.9000112.5L76 W99 N100 T105 H106 Y107L76-L103 HydrophobicContact CB-CD1 3.94Å; L76-L103 HydrophobicContact CB-CD2 3.89Å; L76-L103 HydrophobicContact CD1-CD2 3.81Å; W99-L103 HydrophobicContact CD2-CG 4.4Å; W99-L103 HydrophobicContact CG-CD1 4.49Å; W99-L103 HydrophobicContact CZ2-CD2 4.03Å; W99-L103 HydrophobicContact CZ2-CG 4.41Å; W99-L103 VanDerWaalsContact O-CG 3.3Å; W99-L103 WeakPolarHBondContact O-CG 3.43Å; W99-L103 PolarHBondContact O-N 2.8Å; N100-L103 PolarHBondContact O-N 3.18Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.27Å; L103-H106 CarbonylContact O-C 3.57Å; L103-H106 PolarHBondContact O-N 2.99Å; L103-Y107 WeakPolarHBondContact O-CB 3.36Å; L103-Y107 PolarHBondContact O-N 3.28Å
104D97.8Very high95.2Very high90 Ų9082.5 Ų82.548%0.48141%0.407SS..Hα-helixtrans-65.6-34.9177.8-71.5-21.7000112N100 R101 F102 Y107 R108N100-D104 WeakPolarHBondContact O-CB 3.23Å; N100-D104 PolarHBondContact O-N 2.93Å; R101-D104 PolarHBondContact O-N 3.1Å; F102-D104 VanDerWaalsContact C-N 3.29Å; F102-D104 PolarHBondContact O-N 3.04Å; D104-Y107 PolarHBondContact O-N 2.86Å; D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 3.33Å; D104-R108 VanDerWaalsContact O-N 3.12Å; D104-R108 PolarHBondContact O-NE 3.31Å
105T97.1Very high94.9Very high55 Ų5581.6 Ų81.634%0.33740%0.398SS..Hα-helixtrans-64.6-44.1173-59.80000110.8R101 F102 L103 R108R101-T105 PolarHBondContact O-N 3.35Å; R101-T105 VanDerWaalsContact O-N 3.15Å; R101-T105 PolarHBondContact O-OG1 3.29Å; R101-T105 VanDerWaalsContact O-OG1 3.07Å; F102-T105 WeakPolarHBondContact O-CB 3.5Å; F102-T105 PolarHBondContact O-N 3.34Å; F102-T105 VanDerWaalsContact O-N 3.12Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.27Å; T105-R108 PolarHBondContact O-N 2.82Å
106H95.3Very high94.4Very high59 Ų5983 Ų8327%0.27341%0.408SS..Hα-helixtrans-70.6-32.4175-79.7-82.2000113.5F102 L103 R108 R109 W111F102-H106 AromaticContact CD2-CD2 3.86Å; F102-H106 AromaticContact CE1-CD2 3.89Å; F102-H106 AromaticContact CE2-CD2 3.43Å; F102-H106 VanDerWaalsContact CE2-CD2 3.43Å; F102-H106 WeakPolarHBondContact CE2-CD2 3.32Å; F102-H106 AromaticContact CE2-NE2 3.16Å; F102-H106 WeakPolarHBondContact CE2-NE2 3.28Å; F102-H106 AromaticContact CZ-CD2 3.44Å; F102-H106 VanDerWaalsContact CZ-CD2 3.44Å; F102-H106 WeakPolarHBondContact CZ-CD2 3.17Å; F102-H106 AromaticContact CZ-NE2 3.25Å; F102-H106 VanDerWaalsContact CZ-NE2 3.25Å; F102-H106 WeakPolarHBondContact CZ-NE2 3.33Å; F102-H106 PolarHBondContact O-CD2 3.29Å; F102-H106 PolarHBondContact O-N 2.83Å; F102-H106 VanDerWaalsContact O-N 3.13Å; L103-H106 CarbonylContact O-C 3.57Å; L103-H106 PolarHBondContact O-N 2.99Å; H106-R108 VanDerWaalsContact C-N 3.29Å; H106-R108 PolarHBondContact O-N 3.11Å; H106-R109 PolarHBondContact CE1-NH1 2.89Å; H106-R109 PolarHBondContact O-N 3.13Å; H106-W111 PolarHBondContact O-NE1 2.82Å
107Y96.2Very high93.9Very high72 Ų7291 Ų9128%0.28244%0.436SS..Hα-helixtrans-64.7-34.5176.3-173.9-95.6000112.1R69 T73 L103 D104 R109R69-Y107 HydrophobicContact CB-CE2 4.43Å; R69-Y107 WeakPolarHBondContact CD-O 3.4Å; R69-Y107 HydrophobicContact CG-CD2 3.58Å; R69-Y107 HydrophobicContact CG-CE2 3.73Å; R69-Y107 HydrophobicContact CG-CG 4.4Å; R69-Y107 PolarHBondContact NE-O 2.83Å; T73-Y107 HydrophobicContact CG2-CD2 3.76Å; T73-Y107 HydrophobicContact CG2-CG 4.45Å; T73-Y107 WeakPolarHBondContact OG1-CD2 3.24Å; L103-Y107 WeakPolarHBondContact O-CB 3.36Å; L103-Y107 PolarHBondContact O-N 3.28Å; D104-Y107 PolarHBondContact O-N 2.86Å; Y107-R109 VanDerWaalsContact C-N 3.34Å
108R95.1Very high93.2Very high189 Ų18987.6 Ų87.671%0.71343%0.434SS*.Hα-helixtrans-77.2-17.3178.2-73.3-179-70.5-179.21.7113.8D104 T105 H106D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 3.33Å; D104-R108 VanDerWaalsContact O-N 3.12Å; D104-R108 PolarHBondContact O-NE 3.31Å; T105-R108 PolarHBondContact O-N 2.82Å; H106-R108 VanDerWaalsContact C-N 3.29Å; H106-R108 PolarHBondContact O-N 3.11Å
109R93.4Very high92.4Very high147 Ų14788.1 Ų88.156%0.55544%0.437SS*.SBendtrans-67.3156.4175-67.9-179.9-177.9-174.53.1110.7H106 Y107 W111H106-R109 PolarHBondContact CE1-NH1 2.89Å; H106-R109 PolarHBondContact O-N 3.13Å; Y107-R109 VanDerWaalsContact C-N 3.34Å; R109-W111 VanDerWaalsContact O-CD1 3.27Å; R109-W111 PolarHBondContact O-N 3.41Å
110G86Confident91.3Very high83 Ų8395.1 Ų95.186%0.85648%0.475SS*.PPolyproline II helixtrans-65.5119.6168.900000110.1
111W91.5Very high90.1Very high70 Ų7096.5 Ų96.527%0.26548%0.483SS..PPolyproline II helixtrans-99.5136.2169.8-73.145.2000107.5W68 R69 I72 T73 H106 R109W68-W111 AromaticContact CD1-CE3 3.79Å; W68-W111 AromaticContact CD1-CZ3 4Å; W68-W111 AromaticContact NE1-CE3 3.86Å; W68-W111 AromaticContact NE1-CZ3 3.72Å; R69-W111 HydrophobicContact CB-CD2 4.04Å; R69-W111 HydrophobicContact CB-CE3 4.16Å; R69-W111 HydrophobicContact CB-CG 4.28Å; R69-W111 VanDerWaalsContact CD-CD1 3.43Å; R69-W111 HydrophobicContact CG-CD2 3.73Å; R69-W111 HydrophobicContact CG-CE3 4.26Å; R69-W111 HydrophobicContact CG-CG 3.95Å; R69-W111 HydrophobicContact CG-CZ2 4.19Å; I72-W111 HydrophobicContact CB-CH2 4.12Å; I72-W111 HydrophobicContact CB-CZ3 4.2Å; I72-W111 HydrophobicContact CG1-CZ3 4.48Å; I72-W111 HydrophobicContact CG2-CH2 3.78Å; I72-W111 HydrophobicContact CG2-CZ3 4.18Å; T73-W111 HydrophobicContact CG2-CZ2 4.44Å; H106-W111 PolarHBondContact O-NE1 2.82Å; R109-W111 VanDerWaalsContact O-CD1 3.27Å; R109-W111 PolarHBondContact O-N 3.41Å
112N87.9Confident88.8Confident147 Ų14794.9 Ų94.979%0.78649%0.494SS*.  trans-110.3125175.5-169.510.7000109.6
113V90.8Very high87.5Confident37 Ų3797 Ų9722%0.22451%0.511CS..  trans-118.1114.6164.9177.20000106V64 M65 W68 V115V64-V113 HydrophobicContact CG1-CG1 4.16Å; M65-V113 HydrophobicContact CG-CB 3.53Å; M65-V113 HydrophobicContact CG-CG2 3.73Å; M65-V113 HydrophobicContact SD-CB 4.44Å; M65-V113 PolarHBondContact SD-N 3.38Å; W68-V113 HydrophobicContact CG-CG2 4.38Å; V113-V115 HydrophobicContact CG1-CG2 4.27Å; V113-V115 PolarHBondContact O-N 3.25Å; V113-V115 VanDerWaalsContact O-N 3.12Å
114N89.8Confident86.3Confident131 Ų131101.7 Ų101.770%0.70153%0.533SS*.  trans-71.4107.2174.3-175.6-30.8000108.7S116N114-S116 PolarHBondContact OD1-N 2.98Å; N114-S116 PolarHBondContact OD1-OG 2.71Å
115V91.2Very high85.2Confident61 Ų6199.2 Ų99.237%0.3752%0.521SS..  trans-97.3106168-179.30000107.1A61 V113A61-V115 HydrophobicContact CB-CB 4.2Å; A61-V115 HydrophobicContact CB-CG2 4.01Å; V113-V115 HydrophobicContact CG1-CG2 4.27Å; V113-V115 PolarHBondContact O-N 3.25Å; V113-V115 VanDerWaalsContact O-N 3.12Å
116S87.5Confident84Confident72 Ų7299.7 Ų99.750%0.50353%0.53SS..PPolyproline II helixtrans-70.4159.4178.7-59.80000111.5N114N114-S116 PolarHBondContact OD1-N 2.98Å; N114-S116 PolarHBondContact OD1-OG 2.71Å
117R86Confident83.1Confident239 Ų239101.5 Ų101.590%0.90255%0.545SS*.PPolyproline II helixtrans-60.6153.3171-65.9-177.1-178.6179.40.2110M119R117-M119 PolarHBondContact O-N 2.85Å
118V83.6Confident82.1Confident102 Ų102101.9 Ų101.962%0.61855%0.547SS*.PPolyproline II helixtrans-58.5126171.1-177.60000108A45A45-V118 HydrophobicContact CB-CB 4.28Å; A45-V118 HydrophobicContact CB-CG1 3.66Å; A45-V118 HydrophobicContact CB-CG2 3.56Å
119M80.9Confident81.2Confident59 Ų5993.9 Ų93.929%0.29152%0.517SS..PPolyproline II helixtrans-89125.4172.8-60.8174.779.800107.5R117 H124 V125R117-M119 PolarHBondContact O-N 2.85Å; M119-H124 HydrophobicContact CE-CB 3.96Å; M119-H124 WeakPolarHBondContact CE-ND1 3.42Å; M119-V125 HydrophobicContact CB-CG2 3.46Å; M119-V125 VanDerWaalsContact CB-CG2 3.46Å; M119-V125 HydrophobicContact CE-CG2 4.27Å; M119-V125 HydrophobicContact CG-CG2 4.25Å; M119-V125 HydrophobicContact SD-CG2 3.87Å
120D74.9Confident80.4Confident161 Ų16188 Ų8886%0.86150%0.503SS*.  trans-86.3-21.1179.653.43000112.9
121N73.4Confident79.9Confident80 Ų8087.2 Ų87.243%0.42848%0.484SS..  trans-98109.9-179-173.2-31.6000112.6T123 H124 V125N121-T123 VanDerWaalsContact C-N 3.27Å; N121-T123 PolarHBondContact O-N 3.26Å; N121-T123 WeakPolarHBondContact OD1-CA 3.27Å; N121-T123 VanDerWaalsContact OD1-CB 3.23Å; N121-T123 WeakPolarHBondContact OD1-CB 3.33Å; N121-T123 PolarHBondContact OD1-N 3.45Å; N121-H124 HydrophobicContact CB-CB 3.94Å; N121-H124 WeakPolarHBondContact O-CB 3.48Å; N121-H124 PolarHBondContact O-N 3.45Å; N121-H124 PolarHBondContact OD1-N 2.96Å; N121-V125 WeakPolarHBondContact O-CG2 3.33Å; N121-V125 PolarHBondContact O-N 3.31Å
122A70.7Confident79.4Confident82 Ų8286.6 Ų86.668%0.67848%0.482SS*.Hα-helixtrans-57-35.1177.600000113.9V125 A126A122-V125 PolarHBondContact O-N 3.13Å; A122-A126 WeakPolarHBondContact O-CB 2.98Å; A122-A126 PolarHBondContact O-N 3.24Å
123T71Confident78.9Confident92 Ų9282.8 Ų82.856%0.56446%0.461SS*.Hα-helixtrans-66.3-42.7176.1-540000110.6N121 A126 V127N121-T123 VanDerWaalsContact C-N 3.27Å; N121-T123 PolarHBondContact O-N 3.26Å; N121-T123 WeakPolarHBondContact OD1-CA 3.27Å; N121-T123 VanDerWaalsContact OD1-CB 3.23Å; N121-T123 WeakPolarHBondContact OD1-CB 3.33Å; N121-T123 PolarHBondContact OD1-N 3.45Å; T123-A126 PolarHBondContact O-N 2.62Å; T123-V127 HydrophobicContact CG2-CG2 4.49Å; T123-V127 WeakPolarHBondContact O-CG2 3.35Å; T123-V127 PolarHBondContact O-N 3.32Å
124H72Confident78.1Confident107 Ų10789.7 Ų89.750%0.49549%0.488SS..Hα-helixtrans-66.6-40.2178.5-169.8-159.1000111.4M119 N121 A126 V127 Y128M119-H124 HydrophobicContact CE-CB 3.96Å; M119-H124 WeakPolarHBondContact CE-ND1 3.42Å; N121-H124 HydrophobicContact CB-CB 3.94Å; N121-H124 WeakPolarHBondContact O-CB 3.48Å; N121-H124 PolarHBondContact O-N 3.45Å; N121-H124 PolarHBondContact OD1-N 2.96Å; H124-A126 PolarHBondContact O-N 3.44Å; H124-V127 PolarHBondContact O-N 3.14Å; H124-Y128 WeakPolarHBondContact O-CB 3.22Å; H124-Y128 PolarHBondContact O-N 3.18Å
125V74.7Confident77.7Confident39 Ų3987.8 Ų87.824%0.23647%0.474CS..Hα-helixtrans-57-49.8170.9173.90000110.4M119 N121 A122 V127 Y128 F129M119-V125 HydrophobicContact CB-CG2 3.46Å; M119-V125 VanDerWaalsContact CB-CG2 3.46Å; M119-V125 HydrophobicContact CE-CG2 4.27Å; M119-V125 HydrophobicContact CG-CG2 4.25Å; M119-V125 HydrophobicContact SD-CG2 3.87Å; N121-V125 WeakPolarHBondContact O-CG2 3.33Å; N121-V125 PolarHBondContact O-N 3.31Å; A122-V125 PolarHBondContact O-N 3.13Å; V125-V127 PolarHBondContact O-N 3.33Å; V125-Y128 PolarHBondContact O-N 3Å; V125-F129 HydrophobicContact CG1-CD2 3.72Å; V125-F129 HydrophobicContact CG1-CE2 3.94Å; V125-F129 VanDerWaalsContact O-CD2 3.23Å; V125-F129 WeakPolarHBondContact O-CD2 3.31Å; V125-F129 PolarHBondContact O-N 3.47Å
126A72.7Confident77.3Confident65 Ų6587.6 Ų87.654%0.53747%0.474SS..Hα-helixtrans-63.3-42.3-178.100000112.7A122 T123 H124 G130A122-A126 WeakPolarHBondContact O-CB 2.98Å; A122-A126 PolarHBondContact O-N 3.24Å; T123-A126 PolarHBondContact O-N 2.62Å; H124-A126 PolarHBondContact O-N 3.44Å; A126-G130 WeakPolarHBondContact O-CA 3.22Å; A126-G130 PolarHBondContact O-N 2.78Å
127V74.9Confident77.2Confident97 Ų9785.1 Ų85.159%0.58846%0.456SS*.Hα-helixtrans-66-48176.4171.20000110.8T123 H124 V125 F129 G130 S131T123-V127 HydrophobicContact CG2-CG2 4.49Å; T123-V127 WeakPolarHBondContact O-CG2 3.35Å; T123-V127 PolarHBondContact O-N 3.32Å; H124-V127 PolarHBondContact O-N 3.14Å; V125-V127 PolarHBondContact O-N 3.33Å; V127-F129 PolarHBondContact O-N 2.88Å; V127-G130 PolarHBondContact O-N 3.48Å; V127-S131 PolarHBondContact O-N 3.43Å
128Y76.6Confident77.1Confident79 Ų7974.4 Ų74.431%0.3142%0.417SS..Hα-helixtrans-56.3-53.7179.9-178.8-100.7000110.7H124 V125 S131 Y132H124-Y128 WeakPolarHBondContact O-CB 3.22Å; H124-Y128 PolarHBondContact O-N 3.18Å; V125-Y128 PolarHBondContact O-N 3Å; Y128-S131 PolarHBondContact O-N 2.78Å; Y128-S131 PolarHBondContact O-OG 3.37Å; Y128-Y132 HydrophobicContact CD1-CD2 4.47Å; Y128-Y132 HydrophobicContact CD1-CE2 4.06Å; Y128-Y132 HydrophobicContact CD2-CE2 4.14Å; Y128-Y132 HydrophobicContact CE1-CD2 4.33Å; Y128-Y132 AromaticContact CE1-CE2 3.68Å; Y128-Y132 HydrophobicContact CE1-CE2 3.68Å; Y128-Y132 AromaticContact CE2-CE2 3.77Å; Y128-Y132 HydrophobicContact CE2-CE2 3.77Å; Y128-Y132 HydrophobicContact CG-CE2 4.28Å; Y128-Y132 AromaticContact CZ-CE2 3.53Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.26Å; Y128-Y132 WeakPolarHBondContact O-CE2 3.44Å; Y128-Y132 PolarHBondContact OH-OH 2.86Å
129F75.3Confident77.2Confident21 Ų2170.8 Ų70.89%0.09240%0.396CS..Hα-helixtrans-71.4-34179-75.5-71.9000113.5F23 S42 V125 V127 S131 Y132 L133F23-F129 HydrophobicContact CE2-CB 4.03Å; F23-F129 AromaticContact CE2-CD1 3.55Å; F23-F129 HydrophobicContact CE2-CD1 3.55Å; F23-F129 HydrophobicContact CE2-CD2 4.48Å; F23-F129 HydrophobicContact CE2-CE1 4.13Å; F23-F129 AromaticContact CE2-CG 3.78Å; F23-F129 HydrophobicContact CE2-CG 3.78Å; F23-F129 HydrophobicContact CZ-CB 3.73Å; F23-F129 AromaticContact CZ-CD1 3.6Å; F23-F129 HydrophobicContact CZ-CD1 3.6Å; F23-F129 AromaticContact CZ-CD2 3.69Å; F23-F129 HydrophobicContact CZ-CD2 3.69Å; F23-F129 HydrophobicContact CZ-CE1 4.12Å; F23-F129 HydrophobicContact CZ-CE2 4.21Å; F23-F129 AromaticContact CZ-CG 3.38Å; F23-F129 HydrophobicContact CZ-CG 3.38Å; F23-F129 HydrophobicContact CZ-CZ 4.41Å; S42-F129 WeakPolarHBondContact OG-CE2 3.45Å; S42-F129 VanDerWaalsContact OG-CZ 3.25Å; S42-F129 WeakPolarHBondContact OG-CZ 3.49Å; V125-F129 HydrophobicContact CG1-CD2 3.72Å; V125-F129 HydrophobicContact CG1-CE2 3.94Å; V125-F129 VanDerWaalsContact O-CD2 3.23Å; V125-F129 WeakPolarHBondContact O-CD2 3.31Å; V125-F129 PolarHBondContact O-N 3.47Å; V127-F129 PolarHBondContact O-N 2.88Å; F129-S131 PolarHBondContact O-N 3.39Å; F129-Y132 PolarHBondContact O-N 2.92Å; F129-L133 HydrophobicContact CB-CD1 4.43Å; F129-L133 WeakPolarHBondContact O-CB 3.46Å; F129-L133 VanDerWaalsContact O-CG 3.29Å; F129-L133 WeakPolarHBondContact O-CG 3.22Å; F129-L133 PolarHBondContact O-N 3.36Å
130G76.8Confident77.3Confident25 Ų2575.7 Ų75.726%0.25842%0.42SS..Hα-helixtrans-55.7-37.3174.600000112.2A126 V127 Y132 K134A126-G130 WeakPolarHBondContact O-CA 3.22Å; A126-G130 PolarHBondContact O-N 2.78Å; V127-G130 PolarHBondContact O-N 3.48Å; G130-Y132 VanDerWaalsContact C-N 3.31Å; G130-Y132 PolarHBondContact O-N 2.84Å; G130-K134 PolarHBondContact O-N 3.22Å
131S75.8Confident77.7Confident66 Ų6672.5 Ų72.546%0.46241%0.41SS..Hα-helixtrans-64.6-31.717781.10000113.4V127 Y128 F129 K135V127-S131 PolarHBondContact O-N 3.43Å; Y128-S131 PolarHBondContact O-N 2.78Å; Y128-S131 PolarHBondContact O-OG 3.37Å; F129-S131 PolarHBondContact O-N 3.39Å; S131-K135 WeakPolarHBondContact O-CB 3.2Å
132Y80.2Confident78.4Confident56 Ų5670.5 Ų70.522%0.2240%0.397CS..Hα-helixtrans-87.5-39.2177.9-64.3-75.8000112.7H27 H40 Y128 F129 G130 K134 K135H27-Y132 PolarHBondContact CE1-O 3.03Å; H27-Y132 VanDerWaalsContact CE1-O 3.28Å; H27-Y132 PolarHBondContact NE2-O 3.47Å; H40-Y132 AromaticContact CE1-CD1 3.66Å; H40-Y132 AromaticContact CE1-CE1 3.65Å; H40-Y132 AromaticContact NE2-CD1 3.77Å; Y128-Y132 HydrophobicContact CD1-CD2 4.47Å; Y128-Y132 HydrophobicContact CD1-CE2 4.06Å; Y128-Y132 HydrophobicContact CD2-CE2 4.14Å; Y128-Y132 HydrophobicContact CE1-CD2 4.33Å; Y128-Y132 AromaticContact CE1-CE2 3.68Å; Y128-Y132 HydrophobicContact CE1-CE2 3.68Å; Y128-Y132 AromaticContact CE2-CE2 3.77Å; Y128-Y132 HydrophobicContact CE2-CE2 3.77Å; Y128-Y132 HydrophobicContact CG-CE2 4.28Å; Y128-Y132 AromaticContact CZ-CE2 3.53Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.26Å; Y128-Y132 WeakPolarHBondContact O-CE2 3.44Å; Y128-Y132 PolarHBondContact OH-OH 2.86Å; F129-Y132 PolarHBondContact O-N 2.92Å; G130-Y132 VanDerWaalsContact C-N 3.31Å; G130-Y132 PolarHBondContact O-N 2.84Å; Y132-K134 PolarHBondContact O-N 2.95Å; Y132-K135 PolarHBondContact O-N 2.55Å
133L78.2Confident79.3Confident67 Ų6769.5 Ų69.535%0.35138%0.38SS..Hα-helixtrans-58.9-36.4-179.1-76.5166.5000112.4V25 F129 V190V25-L133 HydrophobicContact CG2-CD2 3.27Å; V25-L133 HydrophobicContact CG2-CG 3.97Å; F129-L133 HydrophobicContact CB-CD1 4.43Å; F129-L133 WeakPolarHBondContact O-CB 3.46Å; F129-L133 VanDerWaalsContact O-CG 3.29Å; F129-L133 WeakPolarHBondContact O-CG 3.22Å; F129-L133 PolarHBondContact O-N 3.36Å; L133-V190 HydrophobicContact CD2-CB 4.23Å; L133-V190 HydrophobicContact CD2-CG1 3.73Å; L133-V190 HydrophobicContact CD2-CG2 3.39Å
134K73.9Confident79.9Confident182 Ų18269 Ų6979%0.79137%0.371SS*.THydrogen-bonded Turntrans-102.11.4-176.3-64-176.7177.8-178.40113.7G130 Y132 P136G130-K134 PolarHBondContact O-N 3.22Å; Y132-K134 PolarHBondContact O-N 2.95Å; K134-P136 VanDerWaalsContact O-CD 3.23Å; K134-P136 WeakPolarHBondContact O-CD 3.32Å
135K81.4Confident79.8Confident91 Ų9171.3 Ų71.340%0.39638%0.381SS..  trans-69.3117.6-175.4-163.4169.6-178.8178.10109.3W29 S131 Y132W29-K135 VanDerWaalsContact CZ2-O 3.28Å; W29-K135 WeakPolarHBondContact CZ2-O 3.42Å; S131-K135 WeakPolarHBondContact O-CB 3.2Å; Y132-K135 PolarHBondContact O-N 2.55Å
136P83Confident79.1Confident57 Ų5776 Ų7637%0.3740%0.396SS..  trans-69.9161.7170.431.4-35.2000109.9K134 V138 P139K134-P136 VanDerWaalsContact O-CD 3.23Å; K134-P136 WeakPolarHBondContact O-CD 3.32Å; P136-V138 VanDerWaalsContact C-N 3.27Å; P136-V138 PolarHBondContact O-N 3.41Å; P136-P139 HydrophobicContact CG-CB 4Å
137P84.9Confident78.4Confident21 Ų2177.4 Ų77.414%0.13641%0.408CS..SBendtrans-47.6-53.3168.2-27.735.5000111.4W29 Q33 F178 H181W29-P137 VanDerWaalsContact CD1-O 3.32Å; W29-P137 HydrophobicContact CD2-CB 4.04Å; W29-P137 HydrophobicContact CD2-CG 4.28Å; W29-P137 VanDerWaalsContact CE2-CA 3.49Å; W29-P137 HydrophobicContact CE3-CB 4.18Å; W29-P137 HydrophobicContact CE3-CG 3.97Å; W29-P137 HydrophobicContact CG-CB 4.24Å; W29-P137 HydrophobicContact CH2-CG 4.34Å; W29-P137 HydrophobicContact CZ3-CG 4.01Å; W29-P137 PolarHBondContact NE1-O 3.2Å; Q33-P137 PolarHBondContact NE2-O 3.29Å; Q33-P137 PolarHBondContact OE1-O 3.44Å; P137-F178 HydrophobicContact CB-CD2 4.42Å; P137-F178 HydrophobicContact CB-CE2 4.24Å; P137-F178 HydrophobicContact CG-CE2 4.42Å; P137-H181 HydrophobicContact CB-CB 3.85Å; P137-H181 HydrophobicContact CG-CB 3.66Å
138V85.4Confident77.8Confident13 Ų1375.9 Ų75.98%0.07941%0.412CS..SBendtrans-122.1113175.3-174.50000109.6Q33 P136 L143 L154 F174 F178Q33-V138 HydrophobicContact CG-CG2 3.57Å; Q33-V138 VanDerWaalsContact NE2-CG2 3.32Å; P136-V138 VanDerWaalsContact C-N 3.27Å; P136-V138 PolarHBondContact O-N 3.41Å; V138-L143 HydrophobicContact CG1-CD1 4.02Å; V138-L143 HydrophobicContact CG1-CD2 3.63Å; V138-L143 HydrophobicContact CG1-CG 3.63Å; V138-L154 HydrophobicContact CG1-CD1 3.69Å; V138-F174 HydrophobicContact CB-CE2 4.37Å; V138-F174 HydrophobicContact CB-CZ 4.41Å; V138-F174 HydrophobicContact CG1-CE2 4.23Å; V138-F174 HydrophobicContact CG1-CZ 4.46Å; V138-F174 HydrophobicContact CG2-CE2 3.86Å; V138-F174 HydrophobicContact CG2-CZ 4.21Å; V138-F178 HydrophobicContact CG2-CD2 4.3Å
139P84Confident77.3Confident26 Ų2678 Ų7817%0.16942%0.424CS..  trans-75141.8168.831-33.3000110P136 S141 R142P136-P139 HydrophobicContact CG-CB 4Å; P139-S141 PolarHBondContact O-N 2.76Å; P139-S141 VanDerWaalsContact O-N 3.13Å; P139-R142 HydrophobicContact CG-CB 4.23Å; P139-R142 VanDerWaalsContact CG-CD 3.42Å; P139-R142 HydrophobicContact CG-CG 3.76Å; P139-R142 WeakPolarHBondContact O-CB 3.08Å; P139-R142 PolarHBondContact O-N 2.06Å
140M82.8Confident77.5Confident163 Ų16382.4 Ų82.480%0.80345%0.449SS*.G310 helixtrans-56.2-31.7-178.5-174.9177.7-86.400113R142 L143M140-R142 PolarHBondContact O-N 3.29Å; M140-R142 VanDerWaalsContact O-N 3.07Å; M140-L143 PolarHBondContact O-N 3.39Å
141S84.9Confident77.9Confident93 Ų9384.5 Ų84.565%0.6545%0.452SS*.G310 helixtrans-65.1-10.2177.262.50000115P139P139-S141 PolarHBondContact O-N 2.76Å; P139-S141 VanDerWaalsContact O-N 3.13Å
142R88.1Confident78.5Confident38 Ų3883.1 Ų83.114%0.14344%0.439CS..G310 helixtrans-101.8-8.6176.2-69.1178.957-142.2-19.5113R31 P139 M140 L154 R155 Y156R31-R142 PolarHBondContact O-NH1 3.49Å; R31-R142 VanDerWaalsContact O-NH1 3.14Å; R31-R142 PolarHBondContact O-NH2 3.04Å; P139-R142 HydrophobicContact CG-CB 4.23Å; P139-R142 VanDerWaalsContact CG-CD 3.42Å; P139-R142 HydrophobicContact CG-CG 3.76Å; P139-R142 WeakPolarHBondContact O-CB 3.08Å; P139-R142 PolarHBondContact O-N 2.06Å; M140-R142 PolarHBondContact O-N 3.29Å; M140-R142 VanDerWaalsContact O-N 3.07Å; R142-L154 HydrophobicContact CB-CD1 4.06Å; R142-L154 VanDerWaalsContact NH2-CG 3.31Å; R142-L154 WeakPolarHBondContact O-CA 3.29Å; R142-R155 PolarHBondContact NE-O 3.14Å; R142-R155 PolarHBondContact NH2-O 2.85Å; R142-R155 PolarHBondContact O-N 3.34Å; R142-Y156 VanDerWaalsContact NH2-CB 3.26Å
143L88.2Confident79Confident61 Ų6180.5 Ų80.532%0.31943%0.428SS..EExtended strand (participates in β ladder)trans-90.1126.4177.8-68.9175.8000109.3V138 M140 I152 G153 L154 F174V138-L143 HydrophobicContact CG1-CD1 4.02Å; V138-L143 HydrophobicContact CG1-CD2 3.63Å; V138-L143 HydrophobicContact CG1-CG 3.63Å; M140-L143 PolarHBondContact O-N 3.39Å; L143-I152 HydrophobicContact CD2-CG2 3.71Å; L143-G153 WeakPolarHBondContact CA-O 3.08Å; L143-L154 HydrophobicContact CD2-CD1 4.25Å; L143-F174 HydrophobicContact CD1-CZ 4.27Å; L143-F174 HydrophobicContact CD2-CD2 4.46Å; L143-F174 HydrophobicContact CD2-CE2 3.7Å; L143-F174 HydrophobicContact CD2-CZ 4.06Å
144E84.6Confident79.6Confident83 Ų8377.3 Ų77.339%0.38841%0.412SS..EExtended strand (participates in β ladder)trans-114.1121.5169.1-70176.7-160.300107.3G153 R155 Y166E144-G153 PolarHBondContact N-O 3.07Å; E144-G153 WeakPolarHBondContact O-CA 3.33Å; E144-G153 PolarHBondContact O-N 3.37Å; E144-R155 IonicContact OE1-NE 2.75Å; E144-R155 PolarHBondContact OE1-NE 3.45Å; E144-Y166 HydrophobicContact CB-CE2 4.01Å; E144-Y166 HydrophobicContact CG-CE2 4.35Å; E144-Y166 WeakPolarHBondContact OE2-CE2 3.41Å
145H70.2Confident80.5Confident154 Ų15472.7 Ų72.771%0.71339%0.39SS*.EExtended strand (participates in β ladder)trans-88.9122.4175.9178.7-83000108.2A147H145-A147 PolarHBondContact O-N 3.11Å
146Y58.8Low81Confident139 Ų13970 Ų7055%0.54538%0.377SS..  trans-80.2111.2170.2-162.2-100.6000108.7G148 Q149Y146-G148 VanDerWaalsContact C-N 3.28Å; Y146-G148 PolarHBondContact O-N 3.28Å; Y146-Q149 HydrophobicContact CD1-CB 4.1Å; Y146-Q149 HydrophobicContact CD1-CG 3.94Å; Y146-Q149 HydrophobicContact CE1-CG 4.14Å
147A59Low81.4Confident94 Ų9471.4 Ų71.478%0.77738%0.382SS*.THydrogen-bonded Turntrans-66.682.8-179.300000110.9H145H145-A147 PolarHBondContact O-N 3.11Å
148G61Low81.7Confident65 Ų6570.8 Ų70.867%0.6738%0.378SS*.THydrogen-bonded Turntrans142.8-0.3170.600000117.2Y146Y146-G148 VanDerWaalsContact C-N 3.28Å; Y146-G148 PolarHBondContact O-N 3.28Å
149Q68Low81.6Confident122 Ų12276.5 Ų76.557%0.5740%0.403SS*.SBendtrans-135.8156.6177.5-62.7-85.1-60.300109.7Y146 E151Y146-Q149 HydrophobicContact CD1-CB 4.1Å; Y146-Q149 HydrophobicContact CD1-CG 3.94Å; Y146-Q149 HydrophobicContact CE1-CG 4.14Å; Q149-E151 HydrophobicContact CB-CB 4.35Å; Q149-E151 HydrophobicContact CB-CG 4.1Å; Q149-E151 PolarHBondContact O-N 3.19Å
150D77.8Confident81.7Confident115 Ų11585.6 Ų85.662%0.61543%0.434SS*.SBendtrans-75.739.2175.5-168.229.2000112.3S170 G171D150-S170 CarbonylContact O-C 3.22Å; D150-S170 WeakPolarHBondContact O-CA 2.97Å; D150-G171 PolarHBondContact O-N 3.49Å
151E86.9Confident82.2Confident69 Ų6980.4 Ų80.432%0.32241%0.412SS..EExtended strand (participates in β ladder)trans-115.5135.5-174.2-63.9-175148.100110.9Q149 L168 M169Q149-E151 HydrophobicContact CB-CB 4.35Å; Q149-E151 HydrophobicContact CB-CG 4.1Å; Q149-E151 PolarHBondContact O-N 3.19Å; E151-L168 HydrophobicContact CB-CD1 3.89Å; E151-L168 HydrophobicContact CB-CG 4.48Å; E151-M169 WeakPolarHBondContact CA-O 3.2Å
152I88.1Confident82.5Confident37 Ų3782.9 Ų82.919%0.1941%0.411CS..EExtended strand (participates in β ladder)trans-111.9126.3178.4-64-178.2000109.3L143 M169 F174L143-I152 HydrophobicContact CD2-CG2 3.71Å; I152-M169 HydrophobicContact CB-CG 4.39Å; I152-M169 PolarHBondContact N-O 3.11Å; I152-M169 PolarHBondContact O-N 2.9Å; I152-M169 VanDerWaalsContact O-N 3.12Å; I152-F174 HydrophobicContact CB-CB 4.45Å; I152-F174 HydrophobicContact CD1-CB 3.73Å; I152-F174 HydrophobicContact CD1-CD1 3.66Å; I152-F174 HydrophobicContact CD1-CD2 4.4Å; I152-F174 HydrophobicContact CD1-CE1 4.4Å; I152-F174 HydrophobicContact CD1-CG 3.66Å; I152-F174 HydrophobicContact CG2-CD2 4Å; I152-F174 HydrophobicContact CG2-CE2 4.44Å; I152-F174 HydrophobicContact CG2-CG 4.27Å
153G90.7Very high82.8Confident0 Ų090 Ų900%044%0.438CS..EExtended strand (participates in β ladder)trans-86.9125.3170.100000113.7L143 E144 Y166L143-G153 WeakPolarHBondContact CA-O 3.08Å; E144-G153 PolarHBondContact N-O 3.07Å; E144-G153 WeakPolarHBondContact O-CA 3.33Å; E144-G153 PolarHBondContact O-N 3.37Å; G153-Y166 WeakPolarHBondContact CA-OH 3.1Å
154L90.9Very high83.1Confident0 Ų092.2 Ų92.20%045%0.446CS..EExtended strand (participates in β ladder)trans-116.5109.8170.2-17674000111.5Q33 V138 R142 L143 L167 M169Q33-L154 HydrophobicContact CB-CD2 4.47Å; Q33-L154 HydrophobicContact CG-CD2 3.65Å; V138-L154 HydrophobicContact CG1-CD1 3.69Å; R142-L154 HydrophobicContact CB-CD1 4.06Å; R142-L154 VanDerWaalsContact NH2-CG 3.31Å; R142-L154 WeakPolarHBondContact O-CA 3.29Å; L143-L154 HydrophobicContact CD2-CD1 4.25Å; L154-L167 HydrophobicContact CB-CB 4.34Å; L154-L167 HydrophobicContact CD2-CD2 4.44Å; L154-L167 PolarHBondContact N-O 3.21Å; L154-L167 PolarHBondContact O-N 2.94Å; L154-M169 HydrophobicContact CB-CE 4.5Å
155R92.5Very high83.6Confident86 Ų8690.4 Ų90.433%0.32544%0.438SS..EExtended strand (participates in β ladder)trans-81.3134173-169.4160.360.8113.5-7.9111.5R142 E144 E164 E165 Y166R142-R155 PolarHBondContact NE-O 3.14Å; R142-R155 PolarHBondContact NH2-O 2.85Å; R142-R155 PolarHBondContact O-N 3.34Å; E144-R155 IonicContact OE1-NE 2.75Å; E144-R155 PolarHBondContact OE1-NE 3.45Å; R155-E164 WeakPolarHBondContact CD-OE1 3.41Å; R155-E164 VanDerWaalsContact CD-OE2 3.31Å; R155-E164 WeakPolarHBondContact CD-OE2 3.5Å; R155-E164 HydrophobicContact CG-CG 3.52Å; R155-E164 WeakPolarHBondContact CG-OE2 3.48Å; R155-E164 IonicContact CZ-OE2 3.38Å; R155-E164 IonicContact NE-OE2 3.11Å; R155-E164 IonicContact NH1-OE1 2.87Å; R155-E164 PolarHBondContact NH1-OE1 3.38Å; R155-E164 IonicContact NH1-OE2 2.66Å; R155-E164 PolarHBondContact NH1-OE2 2.85Å; R155-E165 CarbonylContact C-O 3.58Å; R155-E165 WeakPolarHBondContact CA-O 3.48Å; R155-Y166 HydrophobicContact CB-CD2 4.44Å
156Y91.5Very high84.6Confident34 Ų3487.9 Ų87.913%0.13342%0.423CS..EExtended strand (participates in β ladder)trans-154.5149.2178.172.1-81.6000114.2R31 D32 R142 S158 E164 E165 L167R31-Y156 HydrophobicContact CB-CD2 4.25Å; R31-Y156 WeakPolarHBondContact O-CB 3.37Å; D32-Y156 HydrophobicContact CB-CD2 4.33Å; D32-Y156 HydrophobicContact CB-CE1 4.4Å; D32-Y156 HydrophobicContact CB-CE2 4.1Å; R142-Y156 VanDerWaalsContact NH2-CB 3.26Å; Y156-S158 PolarHBondContact O-N 3.21Å; Y156-E164 CarbonylContact O-C 3.6Å; Y156-E164 WeakPolarHBondContact O-CA 3.36Å; Y156-E165 HydrophobicContact CD1-CB 4.37Å; Y156-E165 HydrophobicContact CE1-CB 3.82Å; Y156-E165 HydrophobicContact CE2-CB 4.16Å; Y156-E165 VanDerWaalsContact CZ-OE2 3.31Å; Y156-E165 PolarHBondContact N-O 2.92Å; Y156-E165 PolarHBondContact O-N 3.45Å; Y156-E165 PolarHBondContact OH-OE2 2.91Å; Y156-L167 HydrophobicContact CD1-CB 4.39Å; Y156-L167 HydrophobicContact CE1-CB 3.9Å
157N91.8Very high86.1Confident87 Ų8783.1 Ų83.147%0.46541%0.407SS..EExtended strand (participates in β ladder)trans-84.2105.7172.1-74.4-37.1000110.8R31 H159 R163 E164R31-N157 WeakPolarHBondContact CD-O 3.25Å; R31-N157 PolarHBondContact NH1-O 2.86Å; N157-H159 PolarHBondContact O-N 3.02Å; N157-R163 CarbonylContact C-O 3.42Å; N157-R163 WeakPolarHBondContact CA-O 3.47Å; N157-E164 WeakPolarHBondContact OD1-CA 3.48Å
158S90.5Very high87.6Confident8 Ų882.8 Ų82.86%0.05639%0.391CS..  trans-65.3128.4-179173.60000111.9Y156 R160 T161 K162 R163 E165Y156-S158 PolarHBondContact O-N 3.21Å; S158-R160 PolarHBondContact O-N 2.74Å; S158-R160 PolarHBondContact OG-N 2.61Å; S158-T161 WeakPolarHBondContact CB-OG1 3.44Å; S158-T161 PolarHBondContact OG-N 3.41Å; S158-T161 PolarHBondContact OG-OG1 3.35Å; S158-K162 VanDerWaalsContact O-CA 3.23Å; S158-K162 WeakPolarHBondContact O-CA 3.29Å; S158-K162 PolarHBondContact O-N 3.42Å; S158-R163 PolarHBondContact N-O 3.18Å; S158-E165 WeakPolarHBondContact CB-OE1 3.46Å; S158-E165 WeakPolarHBondContact CB-OE2 3.46Å; S158-E165 PolarHBondContact OG-OE1 2.91Å; S158-E165 PolarHBondContact OG-OE2 3.2Å
159H83.2Confident89Confident133 Ų13380 Ų8062%0.61636%0.361SS*.THydrogen-bonded Turntrans-69.9-26.8176.1-171.9-91.1000111.9N157 K162N157-H159 PolarHBondContact O-N 3.02Å; H159-K162 PolarHBondContact CD2-NZ 2.9Å; H159-K162 PolarHBondContact CE1-NZ 2.97Å; H159-K162 PolarHBondContact NE2-NZ 3.39Å; H159-K162 VanDerWaalsContact NE2-NZ 3.16Å; H159-K162 WeakPolarHBondContact O-CD 3.36Å; H159-K162 VanDerWaalsContact O-CE 3.25Å; H159-K162 WeakPolarHBondContact O-CE 3.35Å; H159-K162 PolarHBondContact O-NZ 2.86Å
160R86.7Confident90.1Very high216 Ų21675.9 Ų75.982%0.81535%0.346SS*.THydrogen-bonded Turntrans-76.3-49.5-177.6-176.3177.266.5-178.5-0.8111.5S158S158-R160 PolarHBondContact O-N 2.74Å; S158-R160 PolarHBondContact OG-N 2.61Å
161T92.9Very high90.6Very high55 Ų5570.9 Ų70.934%0.33732%0.322SS..THydrogen-bonded Turntrans-96.2-13.2-175.6650000113.4S158 R163 E165S158-T161 WeakPolarHBondContact CB-OG1 3.44Å; S158-T161 PolarHBondContact OG-N 3.41Å; S158-T161 PolarHBondContact OG-OG1 3.35Å; T161-R163 PolarHBondContact O-N 3.47Å; T161-R163 PolarHBondContact OG1-N 3.41Å; T161-E165 WeakPolarHBondContact CB-OE1 3.42Å; T161-E165 WeakPolarHBondContact CG2-OE1 3.45Å; T161-E165 PolarHBondContact OG1-OE1 2.85Å
162K91.5Very high90.7Very high144 Ų14473.5 Ų73.563%0.62634%0.337SS*.SBendtrans5920.4-173.2-51.5-59.7-175-166.30113.7S158 H159S158-K162 VanDerWaalsContact O-CA 3.23Å; S158-K162 WeakPolarHBondContact O-CA 3.29Å; S158-K162 PolarHBondContact O-N 3.42Å; H159-K162 PolarHBondContact CD2-NZ 2.9Å; H159-K162 PolarHBondContact CE1-NZ 2.97Å; H159-K162 PolarHBondContact NE2-NZ 3.39Å; H159-K162 VanDerWaalsContact NE2-NZ 3.16Å; H159-K162 WeakPolarHBondContact O-CD 3.36Å; H159-K162 VanDerWaalsContact O-CE 3.25Å; H159-K162 WeakPolarHBondContact O-CE 3.35Å; H159-K162 PolarHBondContact O-NZ 2.86Å
163R94.8Very high90.8Very high188 Ų18875.9 Ų75.971%0.70935%0.348SS*.SBendtrans-114.2159.5177.9-65.1177.8-176.4-178.3-0.2110.7N157 S158 T161N157-R163 CarbonylContact C-O 3.42Å; N157-R163 WeakPolarHBondContact CA-O 3.47Å; S158-R163 PolarHBondContact N-O 3.18Å; T161-R163 PolarHBondContact O-N 3.47Å; T161-R163 PolarHBondContact OG1-N 3.41Å
164E94.2Very high90.7Very high107 Ų10777 Ų7750%0.535%0.353SS..EExtended strand (participates in β ladder)trans-70.1127.9164.5-168.6168.371.700108.4R155 Y156 N157R155-E164 WeakPolarHBondContact CD-OE1 3.41Å; R155-E164 VanDerWaalsContact CD-OE2 3.31Å; R155-E164 WeakPolarHBondContact CD-OE2 3.5Å; R155-E164 HydrophobicContact CG-CG 3.52Å; R155-E164 WeakPolarHBondContact CG-OE2 3.48Å; R155-E164 IonicContact CZ-OE2 3.38Å; R155-E164 IonicContact NE-OE2 3.11Å; R155-E164 IonicContact NH1-OE1 2.87Å; R155-E164 PolarHBondContact NH1-OE1 3.38Å; R155-E164 IonicContact NH1-OE2 2.66Å; R155-E164 PolarHBondContact NH1-OE2 2.85Å; Y156-E164 CarbonylContact O-C 3.6Å; Y156-E164 WeakPolarHBondContact O-CA 3.36Å; N157-E164 WeakPolarHBondContact OD1-CA 3.48Å
165E93.9Very high90.6Very high46 Ų4682.3 Ų82.322%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-124.5160178.8-72.3176.7-162.700108.7R155 Y156 S158 T161R155-E165 CarbonylContact C-O 3.58Å; R155-E165 WeakPolarHBondContact CA-O 3.48Å; Y156-E165 HydrophobicContact CD1-CB 4.37Å; Y156-E165 HydrophobicContact CE1-CB 3.82Å; Y156-E165 HydrophobicContact CE2-CB 4.16Å; Y156-E165 VanDerWaalsContact CZ-OE2 3.31Å; Y156-E165 PolarHBondContact N-O 2.92Å; Y156-E165 PolarHBondContact O-N 3.45Å; Y156-E165 PolarHBondContact OH-OE2 2.91Å; S158-E165 WeakPolarHBondContact CB-OE1 3.46Å; S158-E165 WeakPolarHBondContact CB-OE2 3.46Å; S158-E165 PolarHBondContact OG-OE1 2.91Å; S158-E165 PolarHBondContact OG-OE2 3.2Å; T161-E165 WeakPolarHBondContact CB-OE1 3.42Å; T161-E165 WeakPolarHBondContact CG2-OE1 3.45Å; T161-E165 PolarHBondContact OG1-OE1 2.85Å
166Y91.2Very high90.5Very high101 Ų10183.7 Ų83.740%0.39639%0.389SS..EExtended strand (participates in β ladder)trans-122.8128.8179.7-168.2-98.5000109.2E144 G153 R155 L168E144-Y166 HydrophobicContact CB-CE2 4.01Å; E144-Y166 HydrophobicContact CG-CE2 4.35Å; E144-Y166 WeakPolarHBondContact OE2-CE2 3.41Å; G153-Y166 WeakPolarHBondContact CA-OH 3.1Å; R155-Y166 HydrophobicContact CB-CD2 4.44Å; Y166-L168 HydrophobicContact CE1-CB 4.34Å; Y166-L168 HydrophobicContact CE1-CD1 4.02Å
167L90.9Very high90.5Very high39 Ų3984.3 Ų84.320%0.20439%0.391CS..EExtended strand (participates in β ladder)trans-110.6112.2175.6176.664.5000108.1L154 Y156 M169L154-L167 HydrophobicContact CB-CB 4.34Å; L154-L167 HydrophobicContact CD2-CD2 4.44Å; L154-L167 PolarHBondContact N-O 3.21Å; L154-L167 PolarHBondContact O-N 2.94Å; Y156-L167 HydrophobicContact CD1-CB 4.39Å; Y156-L167 HydrophobicContact CE1-CB 3.9Å; L167-M169 HydrophobicContact CB-CE 4.39Å; L167-M169 HydrophobicContact CD2-CE 3.21Å; L167-M169 HydrophobicContact CG-CE 3.43Å; L167-M169 VanDerWaalsContact CG-CE 3.43Å
168L91.7Very high90.4Very high86 Ų8683.6 Ų83.645%0.4538%0.384SS..EExtended strand (participates in β ladder)trans-88.4134.7172.5-168.570000108.8E151 Y166E151-L168 HydrophobicContact CB-CD1 3.89Å; E151-L168 HydrophobicContact CB-CG 4.48Å; Y166-L168 HydrophobicContact CE1-CB 4.34Å; Y166-L168 HydrophobicContact CE1-CD1 4.02Å
169M90.2Very high90.4Very high6 Ų686.2 Ų86.23%0.0340%0.402CS..EExtended strand (participates in β ladder)trans-151.3159.2177.563.1-173.468.600110E151 I152 L154 L167 E173 F174E151-M169 WeakPolarHBondContact CA-O 3.2Å; I152-M169 HydrophobicContact CB-CG 4.39Å; I152-M169 PolarHBondContact N-O 3.11Å; I152-M169 PolarHBondContact O-N 2.9Å; I152-M169 VanDerWaalsContact O-N 3.12Å; L154-M169 HydrophobicContact CB-CE 4.5Å; L167-M169 HydrophobicContact CB-CE 4.39Å; L167-M169 HydrophobicContact CD2-CE 3.21Å; L167-M169 HydrophobicContact CG-CE 3.43Å; L167-M169 VanDerWaalsContact CG-CE 3.43Å; M169-E173 VanDerWaalsContact CA-OE2 3.3Å; M169-E173 WeakPolarHBondContact CA-OE2 3.49Å; M169-E173 HydrophobicContact CB-CB 4Å; M169-E173 WeakPolarHBondContact CB-OE2 3.03Å; M169-F174 HydrophobicContact CG-CB 4.05Å; M169-F174 VanDerWaalsContact SD-CA 3.52Å; M169-F174 HydrophobicContact SD-CB 3.67Å; M169-F174 HydrophobicContact SD-CD2 3.92Å; M169-F174 HydrophobicContact SD-CG 4.32Å
170S90.2Very high90.7Very high37 Ų3784.9 Ų84.926%0.25939%0.392SS..EExtended strand (participates in β ladder)trans-68.8162.7172.473.90000111.9D150 D172 E173 F174D150-S170 CarbonylContact O-C 3.22Å; D150-S170 WeakPolarHBondContact O-CA 2.97Å; S170-D172 PolarHBondContact O-N 3.02Å; S170-D172 PolarHBondContact OG-N 2.84Å; S170-E173 PolarHBondContact N-OE2 2.61Å; S170-E173 PolarHBondContact O-N 3.08Å; S170-E173 WeakPolarHBondContact OG-CG 3.49Å; S170-E173 PolarHBondContact OG-N 3.45Å; S170-E173 VanDerWaalsContact OG-N 3.09Å; S170-F174 PolarHBondContact O-N 3.47Å
171G87.6Confident91Very high10 Ų1074.9 Ų74.910%0.10336%0.355CS..Hα-helixtrans-52.6-41.8169.900000112.5D150 F174 M175D150-G171 PolarHBondContact O-N 3.49Å; G171-F174 WeakPolarHBondContact O-CB 3.21Å; G171-F174 PolarHBondContact O-N 3.12Å; G171-M175 VanDerWaalsContact O-CG 3.27Å; G171-M175 WeakPolarHBondContact O-CG 3.45Å; G171-M175 PolarHBondContact O-N 3.01Å
172D89.1Confident90.9Very high123 Ų12376.6 Ų76.666%0.65837%0.365SS*.Hα-helixtrans-67-46.7179.1-73.8-22.8000112.8S170 F174 M175 E176S170-D172 PolarHBondContact O-N 3.02Å; S170-D172 PolarHBondContact OG-N 2.84Å; D172-F174 VanDerWaalsContact C-N 3.26Å; D172-F174 PolarHBondContact O-N 3.3Å; D172-M175 PolarHBondContact O-N 3.22Å; D172-M175 VanDerWaalsContact O-N 3.16Å; D172-E176 WeakPolarHBondContact O-CB 3.44Å; D172-E176 PolarHBondContact O-N 3.14Å
173E90.2Very high90.8Very high87 Ų8771.7 Ų71.741%0.40735%0.351SS..Hα-helixtrans-60.7-38.8177-73.9179.6133.100111.5M169 S170 R177M169-E173 VanDerWaalsContact CA-OE2 3.3Å; M169-E173 WeakPolarHBondContact CA-OE2 3.49Å; M169-E173 HydrophobicContact CB-CB 4Å; M169-E173 WeakPolarHBondContact CB-OE2 3.03Å; S170-E173 PolarHBondContact N-OE2 2.61Å; S170-E173 PolarHBondContact O-N 3.08Å; S170-E173 WeakPolarHBondContact OG-CG 3.49Å; S170-E173 PolarHBondContact OG-N 3.45Å; S170-E173 VanDerWaalsContact OG-N 3.09Å; E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.34Å; E173-R177 VanDerWaalsContact O-N 3.07Å
174F89.2Confident90.6Very high23 Ų2368.9 Ų68.910%0.10135%0.35CS..Hα-helixtrans-62.3-48.3174.5175-97.5000111.5V138 L143 I152 M169 S170 G171 D172 E176 R177 F178V138-F174 HydrophobicContact CB-CE2 4.37Å; V138-F174 HydrophobicContact CB-CZ 4.41Å; V138-F174 HydrophobicContact CG1-CE2 4.23Å; V138-F174 HydrophobicContact CG1-CZ 4.46Å; V138-F174 HydrophobicContact CG2-CE2 3.86Å; V138-F174 HydrophobicContact CG2-CZ 4.21Å; L143-F174 HydrophobicContact CD1-CZ 4.27Å; L143-F174 HydrophobicContact CD2-CD2 4.46Å; L143-F174 HydrophobicContact CD2-CE2 3.7Å; L143-F174 HydrophobicContact CD2-CZ 4.06Å; I152-F174 HydrophobicContact CB-CB 4.45Å; I152-F174 HydrophobicContact CD1-CB 3.73Å; I152-F174 HydrophobicContact CD1-CD1 3.66Å; I152-F174 HydrophobicContact CD1-CD2 4.4Å; I152-F174 HydrophobicContact CD1-CE1 4.4Å; I152-F174 HydrophobicContact CD1-CG 3.66Å; I152-F174 HydrophobicContact CG2-CD2 4Å; I152-F174 HydrophobicContact CG2-CE2 4.44Å; I152-F174 HydrophobicContact CG2-CG 4.27Å; M169-F174 HydrophobicContact CG-CB 4.05Å; M169-F174 VanDerWaalsContact SD-CA 3.52Å; M169-F174 HydrophobicContact SD-CB 3.67Å; M169-F174 HydrophobicContact SD-CD2 3.92Å; M169-F174 HydrophobicContact SD-CG 4.32Å; S170-F174 PolarHBondContact O-N 3.47Å; G171-F174 WeakPolarHBondContact O-CB 3.21Å; G171-F174 PolarHBondContact O-N 3.12Å; D172-F174 VanDerWaalsContact C-N 3.26Å; D172-F174 PolarHBondContact O-N 3.3Å; F174-E176 VanDerWaalsContact C-N 3.34Å; F174-E176 PolarHBondContact O-N 3.3Å; F174-R177 PolarHBondContact O-N 2.89Å; F174-F178 HydrophobicContact CZ-CD2 4.27Å; F174-F178 WeakPolarHBondContact O-CB 3.03Å; F174-F178 PolarHBondContact O-N 3.11Å
175M89.4Confident90.4Very high113 Ų11374.2 Ų74.256%0.55737%0.372SS*.Hα-helixtrans-65-38.9-179-72.3-57.3-63.800111.8G171 D172 F178 S179G171-M175 VanDerWaalsContact O-CG 3.27Å; G171-M175 WeakPolarHBondContact O-CG 3.45Å; G171-M175 PolarHBondContact O-N 3.01Å; D172-M175 PolarHBondContact O-N 3.22Å; D172-M175 VanDerWaalsContact O-N 3.16Å; M175-F178 PolarHBondContact O-N 3.33Å; M175-S179 WeakPolarHBondContact O-CB 3.19Å; M175-S179 PolarHBondContact O-N 3.29Å
176E90.2Very high90.3Very high115 Ų11575.6 Ų75.654%0.53740%0.398SS..Hα-helixtrans-59.5-55.1173.8-174.5-177.8-170.600111D172 F174 F178 S179 W180D172-E176 WeakPolarHBondContact O-CB 3.44Å; D172-E176 PolarHBondContact O-N 3.14Å; F174-E176 VanDerWaalsContact C-N 3.34Å; F174-E176 PolarHBondContact O-N 3.3Å; E176-F178 VanDerWaalsContact C-N 3.32Å; E176-F178 PolarHBondContact O-N 3.33Å; E176-S179 WeakPolarHBondContact O-CB 3.46Å; E176-S179 PolarHBondContact O-N 3.44Å; E176-S179 VanDerWaalsContact O-N 3.15Å; E176-S179 PolarHBondContact O-OG 3.05Å; E176-W180 HydrophobicContact CG-CZ2 4.41Å; E176-W180 PolarHBondContact O-N 3.37Å
177R90.7Very high90.3Very high46 Ų4674.7 Ų74.717%0.17440%0.397CS..Hα-helixtrans-62.3-40.1179.4-69-178.6-169.9-161.38.8112.3E173 F174 S179 W180 H181E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.34Å; E173-R177 VanDerWaalsContact O-N 3.07Å; F174-R177 PolarHBondContact O-N 2.89Å; R177-S179 VanDerWaalsContact C-N 3.27Å; R177-S179 PolarHBondContact O-N 3.41Å; R177-W180 HydrophobicContact CB-CE3 4.5Å; R177-W180 HydrophobicContact CG-CE3 4.41Å; R177-W180 HydrophobicContact CG-CH2 4.24Å; R177-W180 HydrophobicContact CG-CZ3 4.06Å; R177-W180 WeakPolarHBondContact O-CB 3.46Å; R177-W180 PolarHBondContact O-N 3.48Å; R177-H181 PolarHBondContact O-CD2 2.95Å; R177-H181 PolarHBondContact O-NE2 2.95Å
178F89.4Confident90.3Very high72 Ų7281.5 Ų81.532%0.31642%0.42SS..Hα-helixtrans-60.7-40.5177.4-174.3-90.1000111.1P137 V138 F174 M175 E176 W180 H181 V182P137-F178 HydrophobicContact CB-CD2 4.42Å; P137-F178 HydrophobicContact CB-CE2 4.24Å; P137-F178 HydrophobicContact CG-CE2 4.42Å; V138-F178 HydrophobicContact CG2-CD2 4.3Å; F174-F178 HydrophobicContact CZ-CD2 4.27Å; F174-F178 WeakPolarHBondContact O-CB 3.03Å; F174-F178 PolarHBondContact O-N 3.11Å; M175-F178 PolarHBondContact O-N 3.33Å; E176-F178 VanDerWaalsContact C-N 3.32Å; E176-F178 PolarHBondContact O-N 3.33Å; F178-W180 VanDerWaalsContact C-N 3.27Å; F178-W180 PolarHBondContact O-N 2.93Å; F178-H181 PolarHBondContact O-N 3.24Å; F178-V182 HydrophobicContact CD1-CG2 4.26Å; F178-V182 HydrophobicContact CE1-CG2 4.08Å
179S91.4Very high90.3Very high63 Ų6379.8 Ų79.844%0.44141%0.41SS..Hα-helixtrans-59.6-35179.882.10000112.9M175 E176 R177 H181 V182M175-S179 WeakPolarHBondContact O-CB 3.19Å; M175-S179 PolarHBondContact O-N 3.29Å; E176-S179 WeakPolarHBondContact O-CB 3.46Å; E176-S179 PolarHBondContact O-N 3.44Å; E176-S179 VanDerWaalsContact O-N 3.15Å; E176-S179 PolarHBondContact O-OG 3.05Å; R177-S179 VanDerWaalsContact C-N 3.27Å; R177-S179 PolarHBondContact O-N 3.41Å; S179-H181 PolarHBondContact O-N 3.34Å; S179-H181 VanDerWaalsContact O-N 3.11Å; S179-V182 WeakPolarHBondContact O-CB 3.28Å; S179-V182 PolarHBondContact O-N 3.14Å; S179-V182 VanDerWaalsContact O-N 3.11Å
180W90.4Very high90.5Very high105 Ų10581.3 Ų81.340%0.39842%0.42SS..Hα-helixtrans-58.2-28.9176.9-60-13.2000112.5W35 E176 R177 F178W35-W180 HydrophobicContact CE3-CB 4.28Å; W35-W180 HydrophobicContact CZ3-CB 4.49Å; W35-W180 WeakPolarHBondContact CZ3-O 3.36Å; E176-W180 HydrophobicContact CG-CZ2 4.41Å; E176-W180 PolarHBondContact O-N 3.37Å; R177-W180 HydrophobicContact CB-CE3 4.5Å; R177-W180 HydrophobicContact CG-CE3 4.41Å; R177-W180 HydrophobicContact CG-CH2 4.24Å; R177-W180 HydrophobicContact CG-CZ3 4.06Å; R177-W180 WeakPolarHBondContact O-CB 3.46Å; R177-W180 PolarHBondContact O-N 3.48Å; F178-W180 VanDerWaalsContact C-N 3.27Å; F178-W180 PolarHBondContact O-N 2.93Å
181H91.8Very high90.7Very high7 Ų784.3 Ų84.33%0.03243%0.425CS..THydrogen-bonded Turntrans-93.1-4.5-175.4-51.1-47.5000113.8T28 W29 Q33 P137 R177 F178 S179 A183T28-H181 PolarHBondContact O-CE1 3.18Å; T28-H181 PolarHBondContact O-ND1 3.12Å; T28-H181 WeakPolarHBondContact OG1-CA 3.38Å; T28-H181 PolarHBondContact OG1-ND1 2.85Å; W29-H181 VanDerWaalsContact CB-CE1 3.42Å; W29-H181 WeakPolarHBondContact CB-CE1 3.44Å; W29-H181 WeakPolarHBondContact CB-NE2 3.26Å; W29-H181 HydrophobicContact CE3-CB 4.13Å; Q33-H181 PolarHBondContact NE2-CD2 3.2Å; Q33-H181 VanDerWaalsContact NE2-CD2 3.34Å; Q33-H181 PolarHBondContact NE2-NE2 3.39Å; Q33-H181 PolarHBondContact O-NE2 3Å; P137-H181 HydrophobicContact CB-CB 3.85Å; P137-H181 HydrophobicContact CG-CB 3.66Å; R177-H181 PolarHBondContact O-CD2 2.95Å; R177-H181 PolarHBondContact O-NE2 2.95Å; F178-H181 PolarHBondContact O-N 3.24Å; S179-H181 PolarHBondContact O-N 3.34Å; S179-H181 VanDerWaalsContact O-N 3.11Å; H181-A183 PolarHBondContact O-N 3.4Å
182V90.4Very high91.1Very high90 Ų9089.6 Ų89.655%0.54544%0.443SS..SBendtrans-75.1115.3174.2-177.90000108.2F178 S179F178-V182 HydrophobicContact CD1-CG2 4.26Å; F178-V182 HydrophobicContact CE1-CG2 4.08Å; S179-V182 WeakPolarHBondContact O-CB 3.28Å; S179-V182 PolarHBondContact O-N 3.14Å; S179-V182 VanDerWaalsContact O-N 3.11Å
183A89.4Confident91.5Very high42 Ų4284.7 Ų84.735%0.34742%0.415SS..PPolyproline II helixtrans-70.3147.1178.300000111.4H181 F187 M189H181-A183 PolarHBondContact O-N 3.4Å; A183-F187 HydrophobicContact CB-CB 4.16Å; A183-F187 HydrophobicContact CB-CD1 3.87Å; A183-F187 HydrophobicContact CB-CG 4.34Å; A183-M189 HydrophobicContact CB-CG 4.44Å; A183-M189 HydrophobicContact CB-SD 3.8Å
184D90.3Very high91.8Very high128 Ų12880.8 Ų80.868%0.68440%0.399SS*.PPolyproline II helixtrans-54151.1175.3-62.3-39.3000112G186 F187D184-G186 PolarHBondContact O-N 3.49Å; D184-G186 VanDerWaalsContact O-N 3.14Å; D184-F187 HydrophobicContact CB-CB 4.2Å; D184-F187 WeakPolarHBondContact O-CB 3.18Å; D184-F187 PolarHBondContact O-N 3.45Å
185K90.8Very high92.2Very high219 Ų21980 Ų8095%0.95240%0.395SS*.THydrogen-bonded Turntrans-55.1124175-172.4-178.7179.5-178.80110.3F187K185-F187 VanDerWaalsContact C-N 3.27Å; K185-F187 PolarHBondContact O-N 2.95Å
186G91.9Very high92.5Very high75 Ų7577.2 Ų77.277%0.77338%0.382SS*.THydrogen-bonded Turntrans84.2-6.7-179.100000114.6D184 R188D184-G186 PolarHBondContact O-N 3.49Å; D184-G186 VanDerWaalsContact O-N 3.14Å; G186-R188 PolarHBondContact O-N 2.96Å
187F91.3Very high92.8Very high82 Ų8272.7 Ų72.736%0.3636%0.363SS..  trans-69120.2171.7-172.9-85.1000110.3I26 A183 D184 K185 M189I26-F187 HydrophobicContact CG2-CE1 3.74Å; I26-F187 HydrophobicContact CG2-CZ 4.18Å; A183-F187 HydrophobicContact CB-CB 4.16Å; A183-F187 HydrophobicContact CB-CD1 3.87Å; A183-F187 HydrophobicContact CB-CG 4.34Å; D184-F187 HydrophobicContact CB-CB 4.2Å; D184-F187 WeakPolarHBondContact O-CB 3.18Å; D184-F187 PolarHBondContact O-N 3.45Å; K185-F187 VanDerWaalsContact C-N 3.27Å; K185-F187 PolarHBondContact O-N 2.95Å; F187-M189 HydrophobicContact CD1-SD 3.88Å; F187-M189 HydrophobicContact CE1-SD 3.78Å
188R91.7Very high93Very high183 Ų18375.3 Ų75.369%0.69139%0.386SS*.  trans-89114177.9-59.8-164.5-175.3-170.82.8111G186 V190 R191G186-R188 PolarHBondContact O-N 2.96Å; R188-V190 VanDerWaalsContact C-N 3.28Å; R188-V190 PolarHBondContact O-N 2.75Å; R188-R191 HydrophobicContact CB-CG 4.48Å
189M91.9Very high93.3Very high50 Ų5076.6 Ų76.625%0.24641%0.41CS..SBendtrans-64.8-33.2173.6-63.8-60.1-85.200112.5V25 I26 W29 A183 F187V25-M189 WeakPolarHBondContact CA-O 3.29Å; I26-M189 HydrophobicContact CG2-CE 4.09Å; I26-M189 HydrophobicContact CG2-SD 3.74Å; I26-M189 PolarHBondContact N-O 3.45Å; I26-M189 VanDerWaalsContact N-O 3.11Å; I26-M189 WeakPolarHBondContact O-CE 3.46Å; W29-M189 HydrophobicContact CH2-CE 4.5Å; W29-M189 HydrophobicContact CZ3-CE 4.08Å; A183-M189 HydrophobicContact CB-CG 4.44Å; A183-M189 HydrophobicContact CB-SD 3.8Å; F187-M189 HydrophobicContact CD1-SD 3.88Å; F187-M189 HydrophobicContact CE1-SD 3.78Å
190V92.7Very high93.6Very high38 Ų3877 Ų7723%0.2340%0.404CS..EExtended strand (participates in β ladder)trans-108.8131.9178.5-170.20000109.6T24 V25 L133 R188 Y192T24-V190 VanDerWaalsContact O-CA 3.32Å; T24-V190 WeakPolarHBondContact O-CA 3.23Å; V25-V190 HydrophobicContact CG2-CG2 4.44Å; L133-V190 HydrophobicContact CD2-CB 4.23Å; L133-V190 HydrophobicContact CD2-CG1 3.73Å; L133-V190 HydrophobicContact CD2-CG2 3.39Å; R188-V190 VanDerWaalsContact C-N 3.28Å; R188-V190 PolarHBondContact O-N 2.75Å; V190-Y192 HydrophobicContact CG1-CE2 3.91Å
191R95.3Very high93.7Very high100 Ų10076.7 Ų76.738%0.37741%0.407SS..EExtended strand (participates in β ladder)trans-134.8146.1177.3-62.2-176.2179.5-122.13110.6F23 T24 R188 Y193F23-R191 CarbonylContact C-O 3.54Å; F23-R191 WeakPolarHBondContact CA-O 3.25Å; F23-R191 WeakPolarHBondContact CB-O 3.46Å; T24-R191 PolarHBondContact N-O 3.21Å; T24-R191 PolarHBondContact O-N 3.42Å; R188-R191 HydrophobicContact CB-CG 4.48Å; R191-Y193 HydrophobicContact CB-CE2 3.7Å; R191-Y193 WeakPolarHBondContact CD-OH 3.16Å
192Y96Very high93.9Very high120 Ų12084.8 Ų84.847%0.47144%0.437SS..EExtended strand (participates in β ladder)trans-118.1141-177.7-58.7-90.6000110.1I22 F23 V190 L196I22-Y192 CarbonylContact O-C 3.56Å; I22-Y192 WeakPolarHBondContact O-CA 3.49Å; F23-Y192 HydrophobicContact CB-CD1 3.62Å; F23-Y192 HydrophobicContact CB-CE1 3.89Å; F23-Y192 HydrophobicContact CB-CG 4.38Å; F23-Y192 HydrophobicContact CG-CE1 4.44Å; V190-Y192 HydrophobicContact CG1-CE2 3.91Å; Y192-L196 VanDerWaalsContact CB-O 3.28Å; Y192-L196 WeakPolarHBondContact CB-O 3.21Å; Y192-L196 HydrophobicContact CD1-CB 4.2Å
193Y97.6Very high94.2Very high20 Ų2082.4 Ų82.48%0.07842%0.421CS..EExtended strand (participates in β ladder)trans-138.3166.1180-49.7-94.6000110.5R3 A6 I22 T24 R191 L196R3-Y193 WeakPolarHBondContact CA-OH 3.44Å; R3-Y193 PolarHBondContact N-OH 3.33Å; A6-Y193 HydrophobicContact CB-CD1 3.95Å; A6-Y193 HydrophobicContact CB-CD2 3.41Å; A6-Y193 VanDerWaalsContact CB-CD2 3.41Å; A6-Y193 HydrophobicContact CB-CE1 4.07Å; A6-Y193 HydrophobicContact CB-CE2 3.54Å; A6-Y193 HydrophobicContact CB-CG 3.63Å; I22-Y193 HydrophobicContact CG2-CD2 4.12Å; I22-Y193 PolarHBondContact N-O 3.13Å; I22-Y193 PolarHBondContact O-N 3.07Å; T24-Y193 HydrophobicContact CG2-CD2 4.43Å; T24-Y193 HydrophobicContact CG2-CE2 4.01Å; R191-Y193 HydrophobicContact CB-CE2 3.7Å; R191-Y193 WeakPolarHBondContact CD-OH 3.16Å; Y193-L196 PolarHBondContact O-N 2.83Å
194G97.2Very high94.4Very high6 Ų681.6 Ų81.66%0.06241%0.411CS..EExtended strand (participates in β ladder)trans52.6-139.3-171.500000113.6E19 P20 L196 S197E19-G194 WeakPolarHBondContact OE1-CA 3.43Å; P20-G194 CarbonylContact O-C 3.41Å; P20-G194 VanDerWaalsContact O-CA 3.25Å; P20-G194 WeakPolarHBondContact O-CA 3.35Å; G194-L196 PolarHBondContact O-N 3.46Å; G194-L196 VanDerWaalsContact O-N 3.15Å; G194-S197 VanDerWaalsContact O-CB 3.24Å; G194-S197 WeakPolarHBondContact O-CB 3.42Å; G194-S197 PolarHBondContact O-N 3.15Å; G194-S197 PolarHBondContact O-OG 2.83Å
195F96.6Very high94.5Very high7 Ų778.5 Ų78.53%0.03139%0.393CS..THydrogen-bonded Turntrans-67-15.5-175.962.2-116000113.9E19 P20 G21 T44 V48 W54 S197 L203 L204 V208E19-F195 HydrophobicContact CG-CD1 4.47Å; E19-F195 VanDerWaalsContact O-CD1 3.26Å; E19-F195 WeakPolarHBondContact O-CD1 3.34Å; E19-F195 WeakPolarHBondContact O-CE1 3.27Å; P20-F195 WeakPolarHBondContact O-CD1 3.43Å; P20-F195 PolarHBondContact O-N 3.47Å; G21-F195 VanDerWaalsContact CA-CE2 3.45Å; G21-F195 VanDerWaalsContact CA-CZ 3.45Å; G21-F195 VanDerWaalsContact N-CZ 3.26Å; T44-F195 HydrophobicContact CG2-CE2 4.32Å; T44-F195 HydrophobicContact CG2-CZ 3.68Å; V48-F195 HydrophobicContact CG2-CD1 4.08Å; V48-F195 HydrophobicContact CG2-CE1 4.22Å; W54-F195 HydrophobicContact CH2-CE1 4.39Å; W54-F195 HydrophobicContact CH2-CZ 4.27Å; W54-F195 HydrophobicContact CZ3-CE1 4.03Å; W54-F195 HydrophobicContact CZ3-CZ 4.11Å; F195-S197 VanDerWaalsContact C-N 3.27Å; F195-L203 HydrophobicContact CB-CD2 3.83Å; F195-L203 HydrophobicContact CB-CG 4.13Å; F195-L204 HydrophobicContact CD2-CD1 3.99Å; F195-L204 HydrophobicContact CE2-CD1 4.32Å; F195-L204 WeakPolarHBondContact O-CB 3.38Å; F195-V208 HydrophobicContact CB-CG2 4.15Å; F195-V208 HydrophobicContact CD1-CG2 3.84Å; F195-V208 HydrophobicContact CD2-CG1 4.42Å; F195-V208 HydrophobicContact CD2-CG2 3.86Å; F195-V208 HydrophobicContact CE1-CG2 4.08Å; F195-V208 HydrophobicContact CE2-CG1 3.98Å; F195-V208 HydrophobicContact CE2-CG2 4.11Å; F195-V208 HydrophobicContact CG-CG2 3.71Å; F195-V208 HydrophobicContact CZ-CG1 4.12Å; F195-V208 HydrophobicContact CZ-CG2 4.2Å
196L95Very high94.7Very high54 Ų5472.8 Ų72.828%0.28337%0.369SS..THydrogen-bonded Turntrans-78.8-11.2170.8-63.8-178000113F23 Y192 Y193 G194 L204F23-L196 HydrophobicContact CD1-CD1 3.98Å; Y192-L196 VanDerWaalsContact CB-O 3.28Å; Y192-L196 WeakPolarHBondContact CB-O 3.21Å; Y192-L196 HydrophobicContact CD1-CB 4.2Å; Y193-L196 PolarHBondContact O-N 2.83Å; G194-L196 PolarHBondContact O-N 3.46Å; G194-L196 VanDerWaalsContact O-N 3.15Å; L196-L204 HydrophobicContact CD2-CD1 4.39Å; L196-L204 HydrophobicContact CD2-CD2 4.32Å
197S96.8Very high94.8Very high19 Ų1969.8 Ų69.813%0.13334%0.336CS..SBendtrans-71.4147176.772.60000111.3G194 F195 A199 K200 Q201G194-S197 VanDerWaalsContact O-CB 3.24Å; G194-S197 WeakPolarHBondContact O-CB 3.42Å; G194-S197 PolarHBondContact O-N 3.15Å; G194-S197 PolarHBondContact O-OG 2.83Å; F195-S197 VanDerWaalsContact C-N 3.27Å; S197-A199 PolarHBondContact O-N 3.46Å; S197-A199 VanDerWaalsContact O-N 3.14Å; S197-K200 CarbonylContact O-C 3.59Å; S197-K200 PolarHBondContact O-N 3.26Å; S197-Q201 PolarHBondContact O-N 3.11Å
198P95.6Very high95Very high101 Ų10166.3 Ų66.366%0.65632%0.321SS*.G310 helixtrans-55.2-34.5176.7-27.234.9000113.4K200 Q201P198-K200 PolarHBondContact O-N 3.4Å; P198-Q201 WeakPolarHBondContact O-CB 3.4Å; P198-Q201 PolarHBondContact O-N 3.06Å
199A96.3Very high95Very high100 Ų10060.7 Ų60.783%0.82630%0.3SS*.G310 helixtrans-65-17.9178.600000113.8S197S197-A199 PolarHBondContact O-N 3.46Å; S197-A199 VanDerWaalsContact O-N 3.14Å
200K95.8Very high95Very high70 Ų7064 Ų6430%0.30432%0.318SS..G310 helixtrans-117.522.2179.6-63.4-166.6177.8-176.20112.3E19 S197 P198 R202 L203 L204E19-K200 HydrophobicContact CG-CD 4.21Å; E19-K200 IonicContact OE1-NZ 3.55Å; E19-K200 PolarHBondContact OE1-NZ 3.49Å; E19-K200 IonicContact OE2-NZ 2.98Å; E19-K200 PolarHBondContact OE2-NZ 2.97Å; S197-K200 CarbonylContact O-C 3.59Å; S197-K200 PolarHBondContact O-N 3.26Å; P198-K200 PolarHBondContact O-N 3.4Å; K200-R202 PolarHBondContact O-N 3.31Å; K200-L203 HydrophobicContact CB-CB 4.38Å; K200-L203 HydrophobicContact CD-CD2 4.33Å; K200-L203 WeakPolarHBondContact O-CB 3.5Å; K200-L203 PolarHBondContact O-N 2.78Å; K200-L204 PolarHBondContact O-N 2.89Å; K200-L204 VanDerWaalsContact O-N 3.08Å
201Q94Very high95Very high100 Ų10065 Ų6547%0.46732%0.321SS..Hα-helixtrans-54.7-39.9178.3-177.6175.64.100112.1S197 P198 L203 L204 E205S197-Q201 PolarHBondContact O-N 3.11Å; P198-Q201 WeakPolarHBondContact O-CB 3.4Å; P198-Q201 PolarHBondContact O-N 3.06Å; Q201-L203 PolarHBondContact O-N 3.4Å; Q201-L204 WeakPolarHBondContact O-CB 3.49Å; Q201-L204 PolarHBondContact O-N 3.15Å; Q201-E205 HydrophobicContact CG-CG 4.21Å; Q201-E205 PolarHBondContact NE2-OE1 3.03Å; Q201-E205 WeakPolarHBondContact O-CG 3.44Å; Q201-E205 PolarHBondContact O-N 2.78Å
202R95.4Very high94.6Very high177 Ų17762.9 Ų62.967%0.66832%0.319SS*.Hα-helixtrans-60.2-43.5176.4-168.4177.4174.6-171.7-6.6112.6K200 L204 E205 E206K200-R202 PolarHBondContact O-N 3.31Å; R202-L204 VanDerWaalsContact C-N 3.31Å; R202-L204 PolarHBondContact O-N 2.71Å; R202-E205 PolarHBondContact O-N 3.45Å; R202-E206 HydrophobicContact CG-CG 4.05Å; R202-E206 VanDerWaalsContact CG-OE1 3.22Å; R202-E206 WeakPolarHBondContact CG-OE1 3.07Å; R202-E206 IonicContact CZ-OE1 3.33Å; R202-E206 IonicContact CZ-OE2 3.59Å; R202-E206 IonicContact NE-OE1 2.78Å; R202-E206 PolarHBondContact NE-OE1 3.01Å; R202-E206 IonicContact NE-OE2 2.62Å; R202-E206 PolarHBondContact NE-OE2 2.94Å; R202-E206 IonicContact NH2-OE1 3.75Å; R202-E206 IonicContact NH2-OE2 3.44Å; R202-E206 PolarHBondContact NH2-OE2 3.34Å; R202-E206 VanDerWaalsContact NH2-OE2 3.1Å; R202-E206 VanDerWaalsContact O-CB 3.29Å; R202-E206 WeakPolarHBondContact O-CB 3.32Å; R202-E206 PolarHBondContact O-N 3.35Å
203L96Very high94.2Very high39 Ų3965.8 Ų65.820%0.20434%0.337CS..Hα-helixtrans-63.4-39175.9176.267.3000111.3E19 V48 F195 K200 Q201 V207 V208E19-L203 HydrophobicContact CB-CD2 4.32Å; E19-L203 HydrophobicContact CG-CD2 3.91Å; V48-L203 HydrophobicContact CG1-CD1 4.19Å; F195-L203 HydrophobicContact CB-CD2 3.83Å; F195-L203 HydrophobicContact CB-CG 4.13Å; K200-L203 HydrophobicContact CB-CB 4.38Å; K200-L203 HydrophobicContact CD-CD2 4.33Å; K200-L203 WeakPolarHBondContact O-CB 3.5Å; K200-L203 PolarHBondContact O-N 2.78Å; Q201-L203 PolarHBondContact O-N 3.4Å; L203-V207 HydrophobicContact CD1-CB 3.82Å; L203-V207 HydrophobicContact CD1-CG1 4.22Å; L203-V207 HydrophobicContact CD1-CG2 3.89Å; L203-V207 WeakPolarHBondContact O-CB 3.43Å; L203-V207 PolarHBondContact O-N 3.33Å; L203-V207 VanDerWaalsContact O-N 3.15Å; L203-V208 PolarHBondContact O-N 3.38Å
204L94.5Very high93.7Very high25 Ų2567.9 Ų67.913%0.13135%0.352CS..Iπ-helixtrans-63.5-49.8174.9175.760.9000111.9F195 L196 K200 Q201 R202 V208 Y209F195-L204 HydrophobicContact CD2-CD1 3.99Å; F195-L204 HydrophobicContact CE2-CD1 4.32Å; F195-L204 WeakPolarHBondContact O-CB 3.38Å; L196-L204 HydrophobicContact CD2-CD1 4.39Å; L196-L204 HydrophobicContact CD2-CD2 4.32Å; K200-L204 PolarHBondContact O-N 2.89Å; K200-L204 VanDerWaalsContact O-N 3.08Å; Q201-L204 WeakPolarHBondContact O-CB 3.49Å; Q201-L204 PolarHBondContact O-N 3.15Å; R202-L204 VanDerWaalsContact C-N 3.31Å; R202-L204 PolarHBondContact O-N 2.71Å; L204-V208 HydrophobicContact CD1-CB 3.98Å; L204-V208 HydrophobicContact CD1-CG1 4Å; L204-V208 HydrophobicContact CD1-CG2 4.44Å; L204-V208 WeakPolarHBondContact O-CB 3.5Å; L204-V208 PolarHBondContact O-N 3.41Å; L204-Y209 HydrophobicContact CD1-CD1 4.05Å; L204-Y209 HydrophobicContact CD1-CE1 3.58Å; L204-Y209 HydrophobicContact CG-CE1 4.02Å; L204-Y209 HydrophobicContact CG-CE2 4.33Å; L204-Y209 PolarHBondContact O-N 3.07Å
205E92.4Very high93.1Very high64 Ų6473.4 Ų73.430%0.29939%0.385SS..Iπ-helixtrans-76.4-41.1-172.7-68.6-177.2172.800112.9Q201 R202 Y209 R216Q201-E205 HydrophobicContact CG-CG 4.21Å; Q201-E205 PolarHBondContact NE2-OE1 3.03Å; Q201-E205 WeakPolarHBondContact O-CG 3.44Å; Q201-E205 PolarHBondContact O-N 2.78Å; R202-E205 PolarHBondContact O-N 3.45Å; E205-Y209 HydrophobicContact CG-CD2 4.46Å; E205-Y209 HydrophobicContact CG-CE2 4.15Å; E205-R216 IonicContact OE1-CZ 2.78Å; E205-R216 IonicContact OE1-NH1 3.36Å; E205-R216 PolarHBondContact OE1-NH1 2.85Å; E205-R216 IonicContact OE1-NH2 3.4Å; E205-R216 PolarHBondContact OE1-NH2 3.43Å; E205-R216 IonicContact OE2-NH1 3.92Å
206E93.9Very high92.3Very high99 Ų9980.3 Ų80.346%0.46341%0.41SS..Iπ-helixtrans-93.3-18.4-174.2-63.2179.9-166.400113.8R202 I210R202-E206 HydrophobicContact CG-CG 4.05Å; R202-E206 VanDerWaalsContact CG-OE1 3.22Å; R202-E206 WeakPolarHBondContact CG-OE1 3.07Å; R202-E206 IonicContact CZ-OE1 3.33Å; R202-E206 IonicContact CZ-OE2 3.59Å; R202-E206 IonicContact NE-OE1 2.78Å; R202-E206 PolarHBondContact NE-OE1 3.01Å; R202-E206 IonicContact NE-OE2 2.62Å; R202-E206 PolarHBondContact NE-OE2 2.94Å; R202-E206 IonicContact NH2-OE1 3.75Å; R202-E206 IonicContact NH2-OE2 3.44Å; R202-E206 PolarHBondContact NH2-OE2 3.34Å; R202-E206 VanDerWaalsContact NH2-OE2 3.1Å; R202-E206 VanDerWaalsContact O-CB 3.29Å; R202-E206 WeakPolarHBondContact O-CB 3.32Å; R202-E206 PolarHBondContact O-N 3.35Å; E206-I210 WeakPolarHBondContact O-CD1 3.36Å
207V95.5Very high91.7Very high12 Ų1286.5 Ų86.57%0.07344%0.435CS..Iπ-helixtrans-121.8-60.9-177.2-177.40000111.1V48 H52 L203 Y209 I210 I211V48-V207 HydrophobicContact CG1-CG1 3.68Å; H52-V207 HydrophobicContact CB-CG1 3.66Å; L203-V207 HydrophobicContact CD1-CB 3.82Å; L203-V207 HydrophobicContact CD1-CG1 4.22Å; L203-V207 HydrophobicContact CD1-CG2 3.89Å; L203-V207 WeakPolarHBondContact O-CB 3.43Å; L203-V207 PolarHBondContact O-N 3.33Å; L203-V207 VanDerWaalsContact O-N 3.15Å; V207-Y209 PolarHBondContact O-N 2.85Å; V207-I210 PolarHBondContact O-N 3.16Å; V207-I210 VanDerWaalsContact O-N 3.14Å; V207-I211 HydrophobicContact CG1-CD1 4.21Å; V207-I211 HydrophobicContact CG1-CG2 4.36Å; V207-I211 WeakPolarHBondContact O-CG1 3.48Å; V207-I211 WeakPolarHBondContact O-CG2 3.39Å; V207-I211 PolarHBondContact O-N 2.92Å
208V93.9Very high90.9Very high8 Ų892.1 Ų92.15%0.04847%0.469CS..Iπ-helixtrans-58.3-52.3-173.6177.70000110.6V48 F195 L203 L204 I210 I211 T212V48-V208 HydrophobicContact CG2-CG2 3.51Å; F195-V208 HydrophobicContact CB-CG2 4.15Å; F195-V208 HydrophobicContact CD1-CG2 3.84Å; F195-V208 HydrophobicContact CD2-CG1 4.42Å; F195-V208 HydrophobicContact CD2-CG2 3.86Å; F195-V208 HydrophobicContact CE1-CG2 4.08Å; F195-V208 HydrophobicContact CE2-CG1 3.98Å; F195-V208 HydrophobicContact CE2-CG2 4.11Å; F195-V208 HydrophobicContact CG-CG2 3.71Å; F195-V208 HydrophobicContact CZ-CG1 4.12Å; F195-V208 HydrophobicContact CZ-CG2 4.2Å; L203-V208 PolarHBondContact O-N 3.38Å; L204-V208 HydrophobicContact CD1-CB 3.98Å; L204-V208 HydrophobicContact CD1-CG1 4Å; L204-V208 HydrophobicContact CD1-CG2 4.44Å; L204-V208 WeakPolarHBondContact O-CB 3.5Å; L204-V208 PolarHBondContact O-N 3.41Å; V208-I210 PolarHBondContact O-N 3.49Å; V208-I211 WeakPolarHBondContact O-CG1 3.46Å; V208-I211 PolarHBondContact O-N 2.98Å; V208-T212 HydrophobicContact CG1-CG2 4.26Å; V208-T212 WeakPolarHBondContact O-CB 3.35Å; V208-T212 WeakPolarHBondContact O-CG2 3.3Å; V208-T212 PolarHBondContact O-N 3.34Å; V208-T212 PolarHBondContact O-OG1 3.44Å
209Y92.4Very high90.1Very high66 Ų6691.1 Ų91.126%0.25947%0.469SS..Hα-helixtrans-59.9-32.5-179.4-70.4-19.2000113.9L204 E205 V207 E213 T214 R216L204-Y209 HydrophobicContact CD1-CD1 4.05Å; L204-Y209 HydrophobicContact CD1-CE1 3.58Å; L204-Y209 HydrophobicContact CG-CE1 4.02Å; L204-Y209 HydrophobicContact CG-CE2 4.33Å; L204-Y209 PolarHBondContact O-N 3.07Å; E205-Y209 HydrophobicContact CG-CD2 4.46Å; E205-Y209 HydrophobicContact CG-CE2 4.15Å; V207-Y209 PolarHBondContact O-N 2.85Å; Y209-E213 PolarHBondContact O-N 3.32Å; Y209-T214 HydrophobicContact CD1-CG2 3.78Å; Y209-T214 HydrophobicContact CE1-CG2 4.03Å; Y209-T214 PolarHBondContact O-N 3.15Å; Y209-R216 HydrophobicContact CE2-CB 4.33Å; Y209-R216 HydrophobicContact CE2-CG 4.3Å
210I92.6Very high89.3Confident118 Ų11891.9 Ų91.961%0.60546%0.457SS*.Hα-helixtrans-71.8-53.7177.7-57.2-171.4000110E206 V207 V208 T212 E213E206-I210 WeakPolarHBondContact O-CD1 3.36Å; V207-I210 PolarHBondContact O-N 3.16Å; V207-I210 VanDerWaalsContact O-N 3.14Å; V208-I210 PolarHBondContact O-N 3.49Å; I210-T212 VanDerWaalsContact C-N 3.27Å; I210-T212 PolarHBondContact O-N 3.3Å; I210-E213 PolarHBondContact O-N 3.44Å; I210-E213 VanDerWaalsContact O-N 3.15Å
211I92.3Very high88.6Confident61 Ų6197 Ų9731%0.31348%0.482SS..Hα-helixtrans-72.1-20.7-174.371.1-178.2000113.4V48 H52 W54 V207 V208V48-I211 HydrophobicContact CG1-CD1 4.28Å; V48-I211 HydrophobicContact CG2-CD1 4.13Å; H52-I211 WeakPolarHBondContact O-CG2 3.3Å; W54-I211 HydrophobicContact CB-CD1 4.17Å; W54-I211 HydrophobicContact CE3-CD1 4.26Å; V207-I211 HydrophobicContact CG1-CD1 4.21Å; V207-I211 HydrophobicContact CG1-CG2 4.36Å; V207-I211 WeakPolarHBondContact O-CG1 3.48Å; V207-I211 WeakPolarHBondContact O-CG2 3.39Å; V207-I211 PolarHBondContact O-N 2.92Å; V208-I211 WeakPolarHBondContact O-CG1 3.46Å; V208-I211 PolarHBondContact O-N 2.98Å
212T87.2Confident88Confident54 Ų5496.8 Ų96.833%0.33148%0.483SS..THydrogen-bonded Turntrans-102.213174.768.20000112.9W54 V208 I210 T214W54-T212 HydrophobicContact CE3-CG2 4.22Å; W54-T212 HydrophobicContact CZ3-CG2 4.43Å; V208-T212 HydrophobicContact CG1-CG2 4.26Å; V208-T212 WeakPolarHBondContact O-CB 3.35Å; V208-T212 WeakPolarHBondContact O-CG2 3.3Å; V208-T212 PolarHBondContact O-N 3.34Å; V208-T212 PolarHBondContact O-OG1 3.44Å; I210-T212 VanDerWaalsContact C-N 3.27Å; I210-T212 PolarHBondContact O-N 3.3Å; T212-T214 PolarHBondContact O-N 3.28Å; T212-T214 PolarHBondContact O-OG1 2.62Å; T212-T214 PolarHBondContact OG1-OG1 3.36Å
213E88Confident87.7Confident182 Ų18292.8 Ų92.885%0.8548%0.478SS*.THydrogen-bonded Turntrans46.835.5179.6-61.6179.4-166.100112.9Y209 I210 V215Y209-E213 PolarHBondContact O-N 3.32Å; I210-E213 PolarHBondContact O-N 3.44Å; I210-E213 VanDerWaalsContact O-N 3.15Å; E213-V215 PolarHBondContact O-N 2.9Å
214T86Confident87.2Confident64 Ų6498 Ų9839%0.39350%0.495SS..  trans-90.4112.3-170.5-64.80000110Y209 T212 R216Y209-T214 HydrophobicContact CD1-CG2 3.78Å; Y209-T214 HydrophobicContact CE1-CG2 4.03Å; Y209-T214 PolarHBondContact O-N 3.15Å; T212-T214 PolarHBondContact O-N 3.28Å; T212-T214 PolarHBondContact O-OG1 2.62Å; T212-T214 PolarHBondContact OG1-OG1 3.36Å; T214-R216 PolarHBondContact O-N 2.77Å
215V84.5Confident86.9Confident122 Ų122100.6 Ų100.674%0.73950%0.503SS*.PPolyproline II helixtrans-71118.9173.9-176.60000109.8E213 K217E213-V215 PolarHBondContact O-N 2.9Å; V215-K217 PolarHBondContact O-N 2.86Å; V215-K217 VanDerWaalsContact O-N 3.17Å
216R81Confident86.7Confident152 Ų15298.3 Ų98.357%0.57450%0.497SS*.PPolyproline II helixtrans-62.8116.7173.1-173.7-178-173.6163.713.3109.5E205 Y209 T214E205-R216 IonicContact OE1-CZ 2.78Å; E205-R216 IonicContact OE1-NH1 3.36Å; E205-R216 PolarHBondContact OE1-NH1 2.85Å; E205-R216 IonicContact OE1-NH2 3.4Å; E205-R216 PolarHBondContact OE1-NH2 3.43Å; E205-R216 IonicContact OE2-NH1 3.92Å; Y209-R216 HydrophobicContact CE2-CB 4.33Å; Y209-R216 HydrophobicContact CE2-CG 4.3Å; T214-R216 PolarHBondContact O-N 2.77Å
217K80.8Confident86.3Confident184 Ų18498.6 Ų98.680%0.850%0.5SS*.PPolyproline II helixtrans-86.8127170.6-64.4-175.1-179.4-178.80109.7V215 A219V215-K217 PolarHBondContact O-N 2.86Å; V215-K217 VanDerWaalsContact O-N 3.17Å; K217-A219 PolarHBondContact O-N 2.81Å
218T81.3Confident85.8Confident137 Ų137102.3 Ų102.384%0.8451%0.513SS*.PPolyproline II helixtrans-66.2128.2169.1-53.30000109.1M220T218-M220 PolarHBondContact O-N 2.9Å
219A79.1Confident85.5Confident80 Ų80105.4 Ų105.466%0.66153%0.527SS*.PPolyproline II helixtrans-63127.6175.700000109.5K217 Q221K217-A219 PolarHBondContact O-N 2.81Å; A219-Q221 PolarHBondContact O-N 3.24Å
220M79.5Confident85.2Confident115 Ų115109.6 Ų109.657%0.56754%0.542SS*.PPolyproline II helixtrans-61.8125.2172-179.7179.371.500108.9T218 I222T218-M220 PolarHBondContact O-N 2.9Å; M220-I222 HydrophobicContact CE-CD1 3.66Å; M220-I222 HydrophobicContact CE-CG1 3.57Å; M220-I222 PolarHBondContact O-N 3.12Å
221Q80.5Confident84.6Confident179 Ų179110.3 Ų110.384%0.83655%0.546SS*.  trans-68.5115.7172.6-68-66.9-23.800108.7A219A219-Q221 PolarHBondContact O-N 3.24Å
222I81.3Confident84.2Confident94 Ų94111.6 Ų111.648%0.48255%0.554SS.*  trans-107.3117.6176.2-55.4-180000107.7M220 M227M220-I222 HydrophobicContact CE-CD1 3.66Å; M220-I222 HydrophobicContact CE-CG1 3.57Å; M220-I222 PolarHBondContact O-N 3.12Å; I222-M227 HydrophobicContact CG2-CB 3.8Å
223T89.1Confident84.1Confident93 Ų93117.2 Ų117.257%0.57157%0.573SS**  trans-76.6153172.864.70000110.4R225 G226 M227T223-R225 VanDerWaalsContact C-N 3.27Å; T223-R225 PolarHBondContact O-N 3.33Å; T223-G226 PolarHBondContact O-N 3.15Å; T223-G226 VanDerWaalsContact O-N 3.11Å; T223-G226 PolarHBondContact OG1-N 3.07Å; T223-G226 VanDerWaalsContact OG1-N 3.1Å; T223-M227 PolarHBondContact O-N 3.17Å
224W85Confident84Confident148 Ų148111.4 Ų111.456%0.56155%0.55SS**Hα-helixtrans-52.7-45.8174.6163.282.4000112G226 M227 Y228 P236 L237W224-G226 PolarHBondContact O-N 2.94Å; W224-M227 PolarHBondContact O-N 3.4Å; W224-Y228 WeakPolarHBondContact O-CB 3.49Å; W224-Y228 PolarHBondContact O-N 3.37Å; W224-P236 HydrophobicContact CE3-CG 4.27Å; W224-P236 HydrophobicContact CH2-CB 3.44Å; W224-P236 VanDerWaalsContact CH2-CB 3.44Å; W224-P236 HydrophobicContact CH2-CG 3.54Å; W224-P236 HydrophobicContact CZ2-CB 3.69Å; W224-P236 HydrophobicContact CZ2-CG 3.94Å; W224-P236 HydrophobicContact CZ3-CB 4.14Å; W224-P236 HydrophobicContact CZ3-CG 3.71Å; W224-L237 HydrophobicContact CH2-CD2 4.1Å; W224-L237 HydrophobicContact CZ3-CD2 3.75Å; W224-L237 HydrophobicContact CZ3-CG 4.12Å
225R89.4Confident84.2Confident81 Ų81109.4 Ų109.431%0.30654%0.537SS..Hα-helixtrans-58.1-49175.7-172.3-172.9-171.6172.7-0.5111.4T223 M227 Y228 Q229 D235 P236 L237T223-R225 VanDerWaalsContact C-N 3.27Å; T223-R225 PolarHBondContact O-N 3.33Å; R225-M227 VanDerWaalsContact C-N 3.34Å; R225-M227 PolarHBondContact O-N 2.87Å; R225-Y228 PolarHBondContact O-N 3.49Å; R225-Q229 WeakPolarHBondContact O-CB 3.38Å; R225-Q229 WeakPolarHBondContact O-CG 3.46Å; R225-Q229 PolarHBondContact O-N 3.19Å; R225-D235 IonicContact CZ-OD1 3.1Å; R225-D235 IonicContact CZ-OD2 2.94Å; R225-D235 IonicContact NE-OD1 3.41Å; R225-D235 PolarHBondContact NE-OD1 3.43Å; R225-D235 IonicContact NE-OD2 3.11Å; R225-D235 PolarHBondContact NE-OD2 3.05Å; R225-D235 IonicContact NH2-OD1 3.77Å; R225-D235 PolarHBondContact NH2-OD1 3.5Å; R225-D235 IonicContact NH2-OD2 3.83Å; R225-D235 PolarHBondContact NH2-OD2 2.99Å; R225-P236 HydrophobicContact CB-CG 4.44Å; R225-P236 HydrophobicContact CG-CG 4.12Å; R225-L237 HydrophobicContact CG-CD1 4.41Å; R225-L237 HydrophobicContact CG-CG 4.49Å
226G87.4Confident84.4Confident16 Ų16104.7 Ų104.717%0.16551%0.509CS..Hα-helixtrans-64.4-36.1179.700000113.1T223 W224 R230T223-G226 PolarHBondContact O-N 3.15Å; T223-G226 VanDerWaalsContact O-N 3.11Å; T223-G226 PolarHBondContact OG1-N 3.07Å; T223-G226 VanDerWaalsContact OG1-N 3.1Å; W224-G226 PolarHBondContact O-N 2.94Å; G226-R230 WeakPolarHBondContact O-CB 3.46Å; G226-R230 VanDerWaalsContact O-CG 3.29Å; G226-R230 WeakPolarHBondContact O-CG 3.38Å; G226-R230 PolarHBondContact O-N 3.09Å; G226-R230 VanDerWaalsContact O-N 3.08Å
227M85.8Confident84.9Confident105 Ų105100.1 Ų100.152%0.51750%0.496SS..Hα-helixtrans-64.9-48173.3-173.8176.666.700111.3I222 T223 W224 R225 R230 L231I222-M227 HydrophobicContact CG2-CB 3.8Å; T223-M227 PolarHBondContact O-N 3.17Å; W224-M227 PolarHBondContact O-N 3.4Å; R225-M227 VanDerWaalsContact C-N 3.34Å; R225-M227 PolarHBondContact O-N 2.87Å; M227-R230 PolarHBondContact O-N 3.45Å; M227-L231 WeakPolarHBondContact O-CB 3.44Å; M227-L231 PolarHBondContact O-N 3.18Å
228Y84.6Confident85.3Confident89 Ų8996.1 Ų96.135%0.34948%0.478SS..Hα-helixtrans-62.3-45.6-179.5-157.2-77.7000111.3W224 R225 R230 L231 L232 V234 P236W224-Y228 WeakPolarHBondContact O-CB 3.49Å; W224-Y228 PolarHBondContact O-N 3.37Å; R225-Y228 PolarHBondContact O-N 3.49Å; Y228-R230 VanDerWaalsContact C-N 3.34Å; Y228-R230 PolarHBondContact O-N 2.87Å; Y228-L231 PolarHBondContact O-N 3.27Å; Y228-L232 HydrophobicContact CD1-CB 4.15Å; Y228-L232 HydrophobicContact CD1-CD1 3.77Å; Y228-L232 HydrophobicContact CD1-CG 4.46Å; Y228-L232 HydrophobicContact CD2-CD1 4.02Å; Y228-L232 HydrophobicContact CE1-CB 4.07Å; Y228-L232 HydrophobicContact CE1-CD1 3.3Å; Y228-L232 HydrophobicContact CE1-CG 4.28Å; Y228-L232 HydrophobicContact CE2-CD1 3.57Å; Y228-L232 HydrophobicContact CG-CD1 4.11Å; Y228-L232 PolarHBondContact O-N 3.15Å; Y228-V234 WeakPolarHBondContact CD1-O 3.49Å; Y228-V234 HydrophobicContact CE1-CB 4.44Å; Y228-P236 HydrophobicContact CD1-CB 3.61Å; Y228-P236 HydrophobicContact CD1-CG 3.88Å; Y228-P236 HydrophobicContact CD2-CB 4.12Å; Y228-P236 HydrophobicContact CD2-CG 4.45Å; Y228-P236 HydrophobicContact CE1-CB 3.86Å; Y228-P236 HydrophobicContact CE2-CB 4.36Å; Y228-P236 HydrophobicContact CG-CB 3.74Å; Y228-P236 HydrophobicContact CG-CG 3.77Å
229Q88.4Confident85.6Confident73 Ų7390 Ų9034%0.34144%0.441SS..Hα-helixtrans-60.3-40.7175.2-75.4174.2-44.900112.6R225 K233 V234 D235R225-Q229 WeakPolarHBondContact O-CB 3.38Å; R225-Q229 WeakPolarHBondContact O-CG 3.46Å; R225-Q229 PolarHBondContact O-N 3.19Å; Q229-K233 WeakPolarHBondContact O-CA 3.49Å; Q229-K233 PolarHBondContact O-N 2.63Å; Q229-K233 VanDerWaalsContact O-N 3.11Å; Q229-V234 VanDerWaalsContact CA-O 3.31Å; Q229-V234 WeakPolarHBondContact CA-O 3.15Å; Q229-V234 WeakPolarHBondContact CG-O 3.45Å; Q229-D235 HydrophobicContact CG-CB 4.22Å; Q229-D235 VanDerWaalsContact NE2-CG 3.31Å; Q229-D235 PolarHBondContact NE2-OD2 3.11Å
230R84.5Confident85.8Confident154 Ų15492.1 Ų92.158%0.58145%0.445SS*.Hα-helixtrans-68.2-41.7177.9-77.6179.3-178.2-169.53.4112.5G226 M227 Y228 K233G226-R230 WeakPolarHBondContact O-CB 3.46Å; G226-R230 VanDerWaalsContact O-CG 3.29Å; G226-R230 WeakPolarHBondContact O-CG 3.38Å; G226-R230 PolarHBondContact O-N 3.09Å; G226-R230 VanDerWaalsContact O-N 3.08Å; M227-R230 PolarHBondContact O-N 3.45Å; Y228-R230 VanDerWaalsContact C-N 3.34Å; Y228-R230 PolarHBondContact O-N 2.87Å; R230-K233 PolarHBondContact O-NZ 2.84Å
231L81.9Confident86.2Confident133 Ų13394.2 Ų94.270%0.69646%0.458SS*.Hα-helixtrans-78.1-53.1-174.2-178.364000112.3M227 Y228M227-L231 WeakPolarHBondContact O-CB 3.44Å; M227-L231 PolarHBondContact O-N 3.18Å; Y228-L231 PolarHBondContact O-N 3.27Å
232L82.9Confident86.8Confident89 Ų8989.3 Ų89.347%0.46644%0.442SS..Hα-helixtrans-99.2-4.7-171.3-64.4172.1000113Y228 V234Y228-L232 HydrophobicContact CD1-CB 4.15Å; Y228-L232 HydrophobicContact CD1-CD1 3.77Å; Y228-L232 HydrophobicContact CD1-CG 4.46Å; Y228-L232 HydrophobicContact CD2-CD1 4.02Å; Y228-L232 HydrophobicContact CE1-CB 4.07Å; Y228-L232 HydrophobicContact CE1-CD1 3.3Å; Y228-L232 HydrophobicContact CE1-CG 4.28Å; Y228-L232 HydrophobicContact CE2-CD1 3.57Å; Y228-L232 HydrophobicContact CG-CD1 4.11Å; Y228-L232 PolarHBondContact O-N 3.15Å; L232-V234 WeakPolarHBondContact O-CG2 3.47Å; L232-V234 PolarHBondContact O-N 2.84Å
233K85.1Confident87.2Confident172 Ų17286.8 Ų86.875%0.74844%0.44SS*.SBendtrans57.217.2-175.4-50.7-54.5-174.6-163.70113.9Q229 R230Q229-K233 WeakPolarHBondContact O-CA 3.49Å; Q229-K233 PolarHBondContact O-N 2.63Å; Q229-K233 VanDerWaalsContact O-N 3.11Å; R230-K233 PolarHBondContact O-NZ 2.84Å
234V86.8Confident87.4Confident60 Ų6084.7 Ų84.736%0.36443%0.429SS..SBendtrans-117.8141.2178.1176.60000108.7Y228 Q229 L232 P236 V240Y228-V234 WeakPolarHBondContact CD1-O 3.49Å; Y228-V234 HydrophobicContact CE1-CB 4.44Å; Q229-V234 VanDerWaalsContact CA-O 3.31Å; Q229-V234 WeakPolarHBondContact CA-O 3.15Å; Q229-V234 WeakPolarHBondContact CG-O 3.45Å; L232-V234 WeakPolarHBondContact O-CG2 3.47Å; L232-V234 PolarHBondContact O-N 2.84Å; V234-P236 WeakPolarHBondContact O-CD 3.47Å; V234-V240 HydrophobicContact CG1-CG1 4.01Å
235D90.2Very high87.7Confident21 Ų2181.7 Ų81.711%0.11242%0.421CS..  trans-81.6112.1169.1-172.1-12.6000109.1R225 Q229 L237 K238R225-D235 IonicContact CZ-OD1 3.1Å; R225-D235 IonicContact CZ-OD2 2.94Å; R225-D235 IonicContact NE-OD1 3.41Å; R225-D235 PolarHBondContact NE-OD1 3.43Å; R225-D235 IonicContact NE-OD2 3.11Å; R225-D235 PolarHBondContact NE-OD2 3.05Å; R225-D235 IonicContact NH2-OD1 3.77Å; R225-D235 PolarHBondContact NH2-OD1 3.5Å; R225-D235 IonicContact NH2-OD2 3.83Å; R225-D235 PolarHBondContact NH2-OD2 2.99Å; Q229-D235 HydrophobicContact CG-CB 4.22Å; Q229-D235 VanDerWaalsContact NE2-CG 3.31Å; Q229-D235 PolarHBondContact NE2-OD2 3.11Å; D235-L237 PolarHBondContact O-N 3.49Å; D235-L237 PolarHBondContact OD1-N 2.9Å; D235-L237 VanDerWaalsContact OD1-N 3.1Å; D235-K238 HydrophobicContact CB-CB 4.03Å; D235-K238 HydrophobicContact CB-CD 4.04Å; D235-K238 HydrophobicContact CB-CG 3.91Å; D235-K238 PolarHBondContact O-N 3.47Å
236P88.5Confident87.7Confident24 Ų2479.3 Ų79.316%0.15641%0.414CS..THydrogen-bonded Turntrans-68.6-8-176.232.8-39.1000112.8W224 R225 Y228 V234W224-P236 HydrophobicContact CE3-CG 4.27Å; W224-P236 HydrophobicContact CH2-CB 3.44Å; W224-P236 VanDerWaalsContact CH2-CB 3.44Å; W224-P236 HydrophobicContact CH2-CG 3.54Å; W224-P236 HydrophobicContact CZ2-CB 3.69Å; W224-P236 HydrophobicContact CZ2-CG 3.94Å; W224-P236 HydrophobicContact CZ3-CB 4.14Å; W224-P236 HydrophobicContact CZ3-CG 3.71Å; R225-P236 HydrophobicContact CB-CG 4.44Å; R225-P236 HydrophobicContact CG-CG 4.12Å; Y228-P236 HydrophobicContact CD1-CB 3.61Å; Y228-P236 HydrophobicContact CD1-CG 3.88Å; Y228-P236 HydrophobicContact CD2-CB 4.12Å; Y228-P236 HydrophobicContact CD2-CG 4.45Å; Y228-P236 HydrophobicContact CE1-CB 3.86Å; Y228-P236 HydrophobicContact CE2-CB 4.36Å; Y228-P236 HydrophobicContact CG-CB 3.74Å; Y228-P236 HydrophobicContact CG-CG 3.77Å; V234-P236 WeakPolarHBondContact O-CD 3.47Å
237L90.2Very high87.7Confident55 Ų5587.6 Ų87.629%0.28844%0.44SS..THydrogen-bonded Turntrans-102.49.8173.3-56.7-177.6000112.8W224 R225 D235 Q245 M246W224-L237 HydrophobicContact CH2-CD2 4.1Å; W224-L237 HydrophobicContact CZ3-CD2 3.75Å; W224-L237 HydrophobicContact CZ3-CG 4.12Å; R225-L237 HydrophobicContact CG-CD1 4.41Å; R225-L237 HydrophobicContact CG-CG 4.49Å; D235-L237 PolarHBondContact O-N 3.49Å; D235-L237 PolarHBondContact OD1-N 2.9Å; D235-L237 VanDerWaalsContact OD1-N 3.1Å; L237-Q245 CarbonylContact O-C 3.6Å; L237-Q245 WeakPolarHBondContact O-CA 3.49Å; L237-Q245 PolarHBondContact O-NE2 3.39Å; L237-M246 PolarHBondContact O-N 3.07Å
238K90.6Very high87.6Confident101 Ų10190.5 Ų90.544%0.43945%0.45SS..BIsolated β-bridgetrans-113.3137.2170.4-69.6-173.6176.6-169.10110.2D235 V240 S244D235-K238 HydrophobicContact CB-CB 4.03Å; D235-K238 HydrophobicContact CB-CD 4.04Å; D235-K238 HydrophobicContact CB-CG 3.91Å; D235-K238 PolarHBondContact O-N 3.47Å; K238-V240 PolarHBondContact O-N 3.41Å; K238-S244 WeakPolarHBondContact CA-O 3.43Å
239C86.9Confident87.6Confident8 Ų891.9 Ų91.95%0.05447%0.468CS..  trans-60.5121.9173.8-177.30000108.8L241 C242 G243 S244 M246 C268C239-L241 PolarHBondContact O-N 3.31Å; C239-C242 VanDerWaalsContact CB-SG 3.55Å; C239-C242 PolarHBondContact SG-SG 3.19Å; C239-G243 VanDerWaalsContact O-CA 3.23Å; C239-G243 WeakPolarHBondContact O-CA 3.18Å; C239-G243 PolarHBondContact O-N 3.47Å; C239-S244 PolarHBondContact N-O 2.71Å; C239-M246 HydrophobicContact CB-CG 4.3Å; C239-C268 HydrophobicContact CB-CB 3.91Å; C239-C268 WeakPolarHBondContact CB-SG 3.33Å; C239-C268 WeakPolarHBondContact SG-CB 3.5Å; C239-C268 CovalentContact SG-SG 2.06Å; C239-C268 PolarHBondContact SG-SG 2.71Å
240V84.2Confident87.4Confident124 Ų12490.6 Ų90.675%0.75248%0.475SS*.THydrogen-bonded Turntrans-65.2-18.1179.3-63.80000112.9V234 K238V234-V240 HydrophobicContact CG1-CG1 4.01Å; K238-V240 PolarHBondContact O-N 3.41Å
241L88Confident87.3Confident160 Ų16088.9 Ų88.984%0.83848%0.477SS*.THydrogen-bonded Turntrans-89.2-48.6-179.6-57.8177.7000112.7C239C239-L241 PolarHBondContact O-N 3.31Å
242C92Very high87.1Confident75 Ų7588.9 Ų88.951%0.50747%0.471SS..THydrogen-bonded Turntrans-113.9-7.4-174.872.70000115.1C239 S244C239-C242 VanDerWaalsContact CB-SG 3.55Å; C239-C242 PolarHBondContact SG-SG 3.19Å; C242-S244 PolarHBondContact O-N 2.7Å; C242-S244 VanDerWaalsContact SG-CB 3.54Å; C242-S244 PolarHBondContact SG-OG 2.87Å; C242-S244 VanDerWaalsContact SG-OG 3.36Å
243G90Very high86.7Confident41 Ų4194.7 Ų94.742%0.42349%0.487SS..  trans76.4-9.1-178.400000115.6C239C239-G243 VanDerWaalsContact O-CA 3.23Å; C239-G243 WeakPolarHBondContact O-CA 3.18Å; C239-G243 PolarHBondContact O-N 3.47Å
244S92.4Very high86.4Confident50 Ų5090.5 Ų90.535%0.3549%0.492SS..PPolyproline II helixtrans-60.9147.2178.6-61.30000112.5K238 C239 C242 M246K238-S244 WeakPolarHBondContact CA-O 3.43Å; C239-S244 PolarHBondContact N-O 2.71Å; C242-S244 PolarHBondContact O-N 2.7Å; C242-S244 VanDerWaalsContact SG-CB 3.54Å; C242-S244 PolarHBondContact SG-OG 2.87Å; C242-S244 VanDerWaalsContact SG-OG 3.36Å; S244-M246 PolarHBondContact O-N 2.79Å
245Q92.6Very high85.7Confident85 Ų8591.9 Ų91.940%0.39749%0.492SS..BIsolated β-bridgetrans-66118.8175.7-176.470.337.300109.8L237L237-Q245 CarbonylContact O-C 3.6Å; L237-Q245 WeakPolarHBondContact O-CA 3.49Å; L237-Q245 PolarHBondContact O-NE2 3.39Å
246M89.4Confident84.6Confident31 Ų31100.6 Ų100.615%0.15352%0.523CS..PPolyproline II helixtrans-71.6135.9176.8-58.3-179.871.500109.8L237 C239 S244 L266L237-M246 PolarHBondContact O-N 3.07Å; C239-M246 HydrophobicContact CB-CG 4.3Å; S244-M246 PolarHBondContact O-N 2.79Å; M246-L266 HydrophobicContact CE-CB 3.53Å; M246-L266 HydrophobicContact CE-CD1 4Å; M246-L266 HydrophobicContact CE-CD2 3.51Å; M246-L266 HydrophobicContact CE-CG 3.82Å
247R87.2Confident83.2Confident189 Ų189105.3 Ų105.371%0.71355%0.546SS*.  trans-111.4140.7175.5-64.9-178.5179.4166.31.6108.7T249R247-T249 PolarHBondContact O-N 3.11Å
248F84Confident82Confident167 Ų167106.6 Ų106.673%0.73256%0.564SS**  trans-67.5116.7173173.6-99.2000109.1G250 L251F248-G250 VanDerWaalsContact CE2-C 3.44Å; F248-G250 WeakPolarHBondContact CE2-O 3.47Å; F248-G250 WeakPolarHBondContact CZ-O 3.22Å; F248-L251 HydrophobicContact CE2-CB 4.19Å; F248-L251 HydrophobicContact CZ-CB 3.73Å; F248-L251 VanDerWaalsContact CZ-N 3.34Å
249T84.9Confident80.8Confident117 Ų117106.4 Ų106.472%0.71857%0.565SS**  trans-98.1-19-178.153.20000113.3R247R247-T249 PolarHBondContact O-N 3.11Å
250G84.2Confident79.4Confident47 Ų47109.2 Ų109.249%0.48558%0.579SS.*  trans166161.6176.400000114.1F248F248-G250 VanDerWaalsContact CE2-C 3.44Å; F248-G250 WeakPolarHBondContact CE2-O 3.47Å; F248-G250 WeakPolarHBondContact CZ-O 3.22Å
251L81.6Confident78.2Confident118 Ų118112.4 Ų112.462%0.61858%0.579SS**  trans-115.9121.4173.5177.575.3000108.6F248 R253F248-L251 HydrophobicContact CE2-CB 4.19Å; F248-L251 HydrophobicContact CZ-CB 3.73Å; F248-L251 VanDerWaalsContact CZ-N 3.34Å; L251-R253 HydrophobicContact CD2-CG 3.95Å; L251-R253 HydrophobicContact CG-CG 4.22Å
252K77.5Confident76.4Confident132 Ų132108.3 Ų108.357%0.57458%0.576SS**  trans-90.6117.7171.5-70.5-170.9-179.6-178.70109.6Y255K252-Y255 HydrophobicContact CB-CD2 3.76Å; K252-Y255 HydrophobicContact CB-CE2 3.72Å; K252-Y255 HydrophobicContact CD-CD2 4.45Å; K252-Y255 HydrophobicContact CD-CE2 3.8Å; K252-Y255 HydrophobicContact CG-CE2 4.13Å
253R75.3Confident74.4Confident212 Ų212109.9 Ų109.980%0.857%0.574SS**  trans-101.2152.6175.2-66.3-177.5177.1177.60.2110L251L251-R253 HydrophobicContact CD2-CG 3.95Å; L251-R253 HydrophobicContact CG-CG 4.22Å
254G76.9Confident72.2Confident84 Ų84113.1 Ų113.187%0.86659%0.585SS**SBendtrans88.9-4.2170.800000116.5
255Y72.1Confident69.9Low89 Ų89118.3 Ų118.335%0.34961%0.608SS.*  trans-77.8137.9172.9-69.9-81.8000111K252 E259K252-Y255 HydrophobicContact CB-CD2 3.76Å; K252-Y255 HydrophobicContact CB-CE2 3.72Å; K252-Y255 HydrophobicContact CD-CD2 4.45Å; K252-Y255 HydrophobicContact CD-CE2 3.8Å; K252-Y255 HydrophobicContact CG-CE2 4.13Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.47Å; Y255-E259 HydrophobicContact CD1-CB 3.81Å; Y255-E259 WeakPolarHBondContact CD1-OE2 3.48Å; Y255-E259 HydrophobicContact CG-CB 4.42Å
256R67.2Low67.6Low203 Ų203120.3 Ų120.377%0.76662%0.621SS**  trans-67.8153.1168.5-65.3-175.1-179.4-171.21.1109.3A258 E259 L260R256-A258 PolarHBondContact O-N 3.47Å; R256-A258 VanDerWaalsContact O-N 3.07Å; R256-E259 HydrophobicContact CB-CG 4.45Å; R256-E259 PolarHBondContact N-OE2 3.4Å; R256-E259 WeakPolarHBondContact O-CB 3.42Å; R256-E259 PolarHBondContact O-N 3.35Å; R256-L260 PolarHBondContact O-N 3.08Å
257L60.2Low65.7Low124 Ų124121.6 Ų121.665%0.64964%0.636SS**Hα-helixtrans-50.1-40.2-177.2-136.989.6000112.3E259 L260 Y261L257-E259 VanDerWaalsContact C-N 3.34Å; L257-E259 PolarHBondContact O-N 2.77Å; L257-L260 WeakPolarHBondContact O-CB 3.18Å; L257-L260 PolarHBondContact O-N 3.23Å; L257-Y261 HydrophobicContact CD2-CE2 3.93Å; L257-Y261 HydrophobicContact CG-CE2 4.24Å; L257-Y261 WeakPolarHBondContact O-CD2 3.3Å; L257-Y261 PolarHBondContact O-N 3.27Å
258A65.8Low63.2Low81 Ų81115.2 Ų115.267%0.66962%0.62SS**Hα-helixtrans-60.4-36.2176.900000113.9R256 L260R256-A258 PolarHBondContact O-N 3.47Å; R256-A258 VanDerWaalsContact O-N 3.07Å; A258-L260 VanDerWaalsContact C-N 3.3Å; A258-L260 PolarHBondContact O-N 3.48Å
259E64.7Low61.5Low98 Ų98108.9 Ų108.946%0.45860%0.602SS.*Hα-helixtrans-76.5-21.1179.8-59.1174.4131.200112.3Y255 R256 L257Y255-E259 WeakPolarHBondContact CA-OE2 3.47Å; Y255-E259 HydrophobicContact CD1-CB 3.81Å; Y255-E259 WeakPolarHBondContact CD1-OE2 3.48Å; Y255-E259 HydrophobicContact CG-CB 4.42Å; R256-E259 HydrophobicContact CB-CG 4.45Å; R256-E259 PolarHBondContact N-OE2 3.4Å; R256-E259 WeakPolarHBondContact O-CB 3.42Å; R256-E259 PolarHBondContact O-N 3.35Å; L257-E259 VanDerWaalsContact C-N 3.34Å; L257-E259 PolarHBondContact O-N 2.77Å
260L57.6Low59.3Low66 Ų66110.1 Ų110.135%0.34664%0.638SS.*Hα-helixtrans-79.2-36.5178.8-72.1168.3000112.4R256 L257 A258 G262 K263 V264R256-L260 PolarHBondContact O-N 3.08Å; L257-L260 WeakPolarHBondContact O-CB 3.18Å; L257-L260 PolarHBondContact O-N 3.23Å; A258-L260 VanDerWaalsContact C-N 3.3Å; A258-L260 PolarHBondContact O-N 3.48Å; L260-G262 PolarHBondContact O-N 3.17Å; L260-K263 PolarHBondContact O-N 3.12Å; L260-V264 PolarHBondContact O-N 2.92Å
261Y57.7Low58Low192 Ų192113.3 Ų113.375%0.75365%0.646SS**Hα-helixtrans-57-31.9178.8-78.6-76.7000112.7L257L257-Y261 HydrophobicContact CD2-CE2 3.93Å; L257-Y261 HydrophobicContact CG-CE2 4.24Å; L257-Y261 WeakPolarHBondContact O-CD2 3.3Å; L257-Y261 PolarHBondContact O-N 3.27Å
262G50.9Low56.8Low74 Ų74113.1 Ų113.176%0.76365%0.647SS**THydrogen-bonded Turntrans-81.3-4.3175.900000115.9L260L260-G262 PolarHBondContact O-N 3.17Å
263K50Low55.6Low108 Ų108112 Ų11247%0.4765%0.651SS.*THydrogen-bonded Turntrans-132.57.3-167.3-68.6-171.9-177.9175.20116.2L260 L265L260-K263 PolarHBondContact O-N 3.12Å; K263-L265 VanDerWaalsContact C-N 3.25Å; K263-L265 PolarHBondContact O-N 3.04Å
264V42.9Very low54.5Low109 Ų109106.1 Ų106.166%0.66164%0.643SS**  trans-71.285.6172.7-176.90000109.4L260 L266L260-V264 PolarHBondContact O-N 2.92Å; V264-L266 HydrophobicContact CG1-CG 4.45Å
265L45.6Very low53.1Low158 Ų158107.5 Ų107.583%0.82763%0.629SS**  trans-98.8101.7169.4-77.2162.5000108K263 A267K263-L265 VanDerWaalsContact C-N 3.25Å; K263-L265 PolarHBondContact O-N 3.04Å; L265-A267 PolarHBondContact O-N 3.07Å
266L44.3Very low51.8Low128 Ų128108.7 Ų108.767%0.6765%0.647SS**  trans-77.6103164.7-70.2171.7000107.3M246 V264M246-L266 HydrophobicContact CE-CB 3.53Å; M246-L266 HydrophobicContact CE-CD1 4Å; M246-L266 HydrophobicContact CE-CD2 3.51Å; M246-L266 HydrophobicContact CE-CG 3.82Å; V264-L266 HydrophobicContact CG1-CG 4.45Å
267A48.3Very low50.7Low58 Ų58102 Ų10248%0.47964%0.639SS.*PPolyproline II helixtrans-85.9126.4175.700000110L265L265-A267 PolarHBondContact O-N 3.07Å
268C36.2Very low50Low54 Ų54100.3 Ų100.337%0.36564%0.638SS.*PPolyproline II helixtrans-79.5123.1173.8-52.30000107.6C239 G270C239-C268 HydrophobicContact CB-CB 3.91Å; C239-C268 WeakPolarHBondContact CB-SG 3.33Å; C239-C268 WeakPolarHBondContact SG-CB 3.5Å; C239-C268 CovalentContact SG-SG 2.06Å; C239-C268 PolarHBondContact SG-SG 2.71Å; C268-G270 PolarHBondContact O-N 3.37Å
269G47.6Very low48.7Very low34 Ų34101.9 Ų101.935%0.35164%0.636SS.*PPolyproline II helixtrans-67.3125.6175.800000109.3
270G38.1Very low47.2Very low144 Ų144102.3 Ų102.3100%1.48565%0.652SS**  trans-68.30163.600000111.7C268C268-G270 PolarHBondContact O-N 3.37Å

Retrieved 270 of 270 residues in 190 ms (Link to these results)

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