A0A087YNJ1_POEFO Loading...

Centrosomal protein CCDC61

AlphaFold DB , UniProt , Accession A0A087YNJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 508 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
1M64Low83.7Confident46 Ų4675.2 Ų75.223%0.22741%0.406CS..  0123.50-146.1165.8-168.300111.5L7 I22 L24 E72M1-L7 HydrophobicContact CE-CB 4.16Å; M1-I22 HydrophobicContact CE-CB 4.22Å; M1-I22 HydrophobicContact CE-CG2 3.85Å; M1-I22 HydrophobicContact SD-CG2 4.05Å; M1-L24 HydrophobicContact CB-CD1 3.42Å; M1-L24 VanDerWaalsContact CB-CD1 3.42Å; M1-L24 HydrophobicContact CB-CG 4.43Å; M1-L24 HydrophobicContact CE-CG 4.47Å; M1-L24 HydrophobicContact CG-CD1 3.46Å; M1-L24 VanDerWaalsContact CG-CD1 3.46Å; M1-L24 HydrophobicContact CG-CG 3.98Å; M1-L24 HydrophobicContact SD-CD1 3.67Å; M1-L24 HydrophobicContact SD-CG 3.65Å; M1-E72 WeakPolarHBondContact CA-OE2 3.48Å; M1-E72 WeakPolarHBondContact CB-OE2 3.31Å; M1-E72 WeakPolarHBondContact CG-OE2 3.25Å; M1-E72 PolarHBondContact N-OE2 3.4Å; M1-E72 HydrophobicContact SD-CB 4.21Å; M1-E72 HydrophobicContact SD-CG 4.44Å
2E72.3Confident84.6Confident154 Ų15476.2 Ų76.272%0.7242%0.416SS*.  trans-89.5159.8178.2-63.1-178.3166.600110.8G4 S5E2-G4 PolarHBondContact O-N 2.89Å; E2-S5 PolarHBondContact N-OG 3.45Å; E2-S5 VanDerWaalsContact O-CB 3.22Å; E2-S5 WeakPolarHBondContact O-CB 3.24Å; E2-S5 PolarHBondContact O-N 3.41Å; E2-S5 VanDerWaalsContact O-N 3.11Å; E2-S5 PolarHBondContact O-OG 2.77Å
3D71.5Confident85.3Confident104 Ų10471 Ų7156%0.55639%0.387SS*.THydrogen-bonded Turntrans-66.6128.3178.3-158.624.3000110K26D3-K26 WeakPolarHBondContact OD1-CA 3.49Å; D3-K26 PolarHBondContact OD1-N 3.21Å
4G73.8Confident85.5Confident60 Ų6076.6 Ų76.662%0.61940%0.4SS*.THydrogen-bonded Turntrans83.49.1-171.500000115.1E2 L24E2-G4 PolarHBondContact O-N 2.89Å; G4-L24 VanDerWaalsContact CA-O 3.3Å; G4-L24 WeakPolarHBondContact CA-O 3.25Å; G4-L24 PolarHBondContact N-O 3.31Å
5S80.7Confident85.8Confident35 Ų3576.1 Ų76.125%0.24542%0.421CS..  trans-75.7126172.1-61.50000110.6E2 L24E2-S5 PolarHBondContact N-OG 3.45Å; E2-S5 VanDerWaalsContact O-CB 3.22Å; E2-S5 WeakPolarHBondContact O-CB 3.24Å; E2-S5 PolarHBondContact O-N 3.41Å; E2-S5 VanDerWaalsContact O-N 3.11Å; E2-S5 PolarHBondContact O-OG 2.77Å; S5-L24 PolarHBondContact O-N 2.86Å; S5-L24 VanDerWaalsContact O-N 3.15Å
6E88.8Confident86.2Confident114 Ų11475.4 Ų75.453%0.53342%0.419SS..EExtended strand (participates in β ladder)trans-110.3136.1168.8-174.2179.8169.200109.2K21E6-K21 VanDerWaalsContact CD-NZ 3.33Å; E6-K21 HydrophobicContact CG-CD 4.49Å; E6-K21 HydrophobicContact CG-CG 4.48Å; E6-K21 WeakPolarHBondContact OE1-CD 3.5Å; E6-K21 WeakPolarHBondContact OE1-CE 3.2Å; E6-K21 IonicContact OE1-NZ 3.87Å; E6-K21 PolarHBondContact OE1-NZ 3.45Å; E6-K21 IonicContact OE2-NZ 3.55Å
7L91.5Very high86.6Confident12 Ų1276.5 Ų76.56%0.06342%0.421CS..EExtended strand (participates in β ladder)trans-137.1131.8176.3-178.3129000109.7M1 E9 K21 I22 E72 V75 R76M1-L7 HydrophobicContact CE-CB 4.16Å; L7-E9 HydrophobicContact CD2-CG 3.97Å; L7-E9 HydrophobicContact CG-CG 4.39Å; L7-K21 CarbonylContact O-C 3.58Å; L7-K21 VanDerWaalsContact O-CA 3.28Å; L7-K21 WeakPolarHBondContact O-CA 3.32Å; L7-I22 PolarHBondContact N-O 3.25Å; L7-I22 PolarHBondContact O-N 3.41Å; L7-E72 HydrophobicContact CD1-CG 4.48Å; L7-V75 HydrophobicContact CD2-CB 3.8Å; L7-V75 HydrophobicContact CD2-CG1 3.25Å; L7-R76 HydrophobicContact CD1-CG 3.67Å; L7-R76 VanDerWaalsContact CD1-NH2 3.35Å
8M93.7Very high87.1Confident114 Ų11473.1 Ų73.156%0.56240%0.401SS*.EExtended strand (participates in β ladder)trans-134.2125.2178.7-178.9179.4169.900108.8S19 V20 K21M8-S19 WeakPolarHBondContact CE-OG 3.43Å; M8-V20 WeakPolarHBondContact CA-O 3.38Å; M8-K21 HydrophobicContact CB-CB 4.36Å; M8-K21 HydrophobicContact CG-CB 4.33Å
9E94.9Very high87.6Confident87 Ų8769.9 Ų69.941%0.40738%0.384SS..EExtended strand (participates in β ladder)trans-142.5149.1-179.8-65.4-71.2171.700110.9L7 V20 V75L7-E9 HydrophobicContact CD2-CG 3.97Å; L7-E9 HydrophobicContact CG-CG 4.39Å; E9-V20 PolarHBondContact N-O 2.91Å; E9-V20 PolarHBondContact O-N 3.21Å; E9-V75 HydrophobicContact CB-CG1 3.58Å; E9-V75 HydrophobicContact CG-CG1 3.73Å
10D94.9Very high88Confident91 Ų9166.4 Ų66.449%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-88.6123.8176.3-65.1-38000111.1E17 S19D10-E17 HydrophobicContact CB-CG 4.41Å; D10-S19 WeakPolarHBondContact OD1-CA 3.36Å; D10-S19 WeakPolarHBondContact OD1-CB 3.41Å
11I94.7Very high88.3Confident10 Ų1065.5 Ų65.55%0.05136%0.357CS..EExtended strand (participates in β ladder)trans-129.2131.5-176.3-56.6-176.8000110.5F13 F18 V20 V75 L84I11-F13 HydrophobicContact CB-CE2 4.05Å; I11-F13 HydrophobicContact CB-CZ 4.06Å; I11-F13 HydrophobicContact CG2-CD1 4.29Å; I11-F13 HydrophobicContact CG2-CD2 4.44Å; I11-F13 HydrophobicContact CG2-CE1 3.78Å; I11-F13 HydrophobicContact CG2-CE2 3.96Å; I11-F13 HydrophobicContact CG2-CZ 3.6Å; I11-F18 PolarHBondContact N-O 2.91Å; I11-F18 PolarHBondContact O-N 3.28Å; I11-V20 HydrophobicContact CB-CG2 4.28Å; I11-V20 HydrophobicContact CD1-CB 4.33Å; I11-V20 HydrophobicContact CD1-CG2 4.12Å; I11-V20 HydrophobicContact CG1-CG2 4.34Å; I11-V75 HydrophobicContact CD1-CB 4.26Å; I11-V75 HydrophobicContact CD1-CG1 3.98Å; I11-V75 HydrophobicContact CD1-CG2 4.18Å; I11-L84 HydrophobicContact CD1-CD1 4Å
12V94.8Very high89.8Confident87 Ų8763.3 Ų63.353%0.52735%0.347SS..EExtended strand (participates in β ladder)trans-86.4112.7175.3-1780000110.3V16 E17V12-V16 CarbonylContact C-O 3.59Å; V12-V16 VanDerWaalsContact CA-O 3.31Å; V12-V16 WeakPolarHBondContact CA-O 3.49Å; V12-E17 HydrophobicContact CG2-CB 4.43Å
13F92.9Very high90.9Very high9 Ų958.6 Ų58.64%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-103117.2169.9-61.8-67.1000109.7I11 G15 V16 F18 V20 L84 L86 L121I11-F13 HydrophobicContact CB-CE2 4.05Å; I11-F13 HydrophobicContact CB-CZ 4.06Å; I11-F13 HydrophobicContact CG2-CD1 4.29Å; I11-F13 HydrophobicContact CG2-CD2 4.44Å; I11-F13 HydrophobicContact CG2-CE1 3.78Å; I11-F13 HydrophobicContact CG2-CE2 3.96Å; I11-F13 HydrophobicContact CG2-CZ 3.6Å; F13-G15 PolarHBondContact O-N 2.99Å; F13-G15 VanDerWaalsContact O-N 3.1Å; F13-V16 PolarHBondContact N-O 2.91Å; F13-V16 PolarHBondContact O-N 3.4Å; F13-F18 HydrophobicContact CB-CD2 4Å; F13-F18 HydrophobicContact CB-CE2 4.07Å; F13-F18 HydrophobicContact CD2-CB 3.98Å; F13-F18 AromaticContact CD2-CD2 3.56Å; F13-F18 HydrophobicContact CD2-CD2 3.56Å; F13-F18 HydrophobicContact CD2-CE2 4.33Å; F13-F18 HydrophobicContact CD2-CG 4.02Å; F13-F18 HydrophobicContact CE2-CB 4.22Å; F13-F18 HydrophobicContact CG-CD2 4.28Å; F13-V20 HydrophobicContact CE2-CG2 3.7Å; F13-V20 HydrophobicContact CZ-CG2 4.06Å; F13-L84 HydrophobicContact CE1-CB 3.76Å; F13-L84 HydrophobicContact CZ-CB 4.1Å; F13-L86 HydrophobicContact CB-CB 3.86Å; F13-L86 HydrophobicContact CD1-CB 3.79Å; F13-L86 HydrophobicContact CD2-CB 3.67Å; F13-L86 HydrophobicContact CD2-CD2 3.86Å; F13-L86 HydrophobicContact CD2-CG 4.4Å; F13-L86 HydrophobicContact CE1-CB 4.24Å; F13-L86 HydrophobicContact CE2-CB 4.14Å; F13-L86 HydrophobicContact CE2-CD2 4.35Å; F13-L86 HydrophobicContact CG-CB 3.48Å; F13-L86 VanDerWaalsContact CG-CB 3.48Å; F13-L86 HydrophobicContact CG-CD2 4.4Å; F13-L86 HydrophobicContact CZ-CB 4.4Å; F13-L121 HydrophobicContact CE1-CD1 4.46Å; F13-L121 HydrophobicContact CZ-CD1 3.99Å
14R89Confident92Very high149 Ų14954.1 Ų54.156%0.56230%0.301SS*.THydrogen-bonded Turntrans53.932.6175.2-57.3176.7169.9-140.9-4.9114.4D85 D91R14-D85 IonicContact NE-OD1 2.91Å; R14-D85 IonicContact NH2-OD2 3.75Å; R14-D91 IonicContact CZ-OD1 3.76Å; R14-D91 IonicContact NH1-OD1 3.73Å; R14-D91 PolarHBondContact NH1-OD1 3.27Å; R14-D91 IonicContact NH1-OD2 2.63Å
15G89.2Confident92.7Very high70 Ų7054.2 Ų54.272%0.72229%0.287SS*.THydrogen-bonded Turntrans87.73179.800000115F13F13-G15 PolarHBondContact O-N 2.99Å; F13-G15 VanDerWaalsContact O-N 3.1Å
16V92Very high93Very high64 Ų6459.6 Ų59.639%0.38831%0.306SS..EExtended strand (participates in β ladder)trans-111.9135.8173.5-178.10000108.9V12 F13 F18V12-V16 CarbonylContact C-O 3.59Å; V12-V16 VanDerWaalsContact CA-O 3.31Å; V12-V16 WeakPolarHBondContact CA-O 3.49Å; F13-V16 PolarHBondContact N-O 2.91Å; F13-V16 PolarHBondContact O-N 3.4Å; V16-F18 HydrophobicContact CB-CD2 4.39Å; V16-F18 HydrophobicContact CB-CE2 3.66Å; V16-F18 HydrophobicContact CB-CZ 4.23Å; V16-F18 HydrophobicContact CG1-CD2 4.19Å; V16-F18 HydrophobicContact CG1-CE2 3.54Å; V16-F18 HydrophobicContact CG1-CZ 3.73Å; V16-F18 WeakPolarHBondContact O-CD2 3.45Å
17E94.3Very high92.8Very high95 Ų9559.1 Ų59.144%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-87.5132.7-179.3-173.5170.6-137.400110.9D10 V12 S36D10-E17 HydrophobicContact CB-CG 4.41Å; V12-E17 HydrophobicContact CG2-CB 4.43Å; E17-S36 PolarHBondContact O-N 3.44Å; E17-S36 PolarHBondContact O-OG 2.87Å; E17-S36 VanDerWaalsContact O-OG 3.12Å
18F95.6Very high92.9Very high15 Ų1560.3 Ų60.37%0.06631%0.313CS..EExtended strand (participates in β ladder)trans-132.3139.1177.6-66.4-92.2000109.4I11 F13 V16 I33 S34 D35 W42 L86I11-F18 PolarHBondContact N-O 2.91Å; I11-F18 PolarHBondContact O-N 3.28Å; F13-F18 HydrophobicContact CB-CD2 4Å; F13-F18 HydrophobicContact CB-CE2 4.07Å; F13-F18 HydrophobicContact CD2-CB 3.98Å; F13-F18 AromaticContact CD2-CD2 3.56Å; F13-F18 HydrophobicContact CD2-CD2 3.56Å; F13-F18 HydrophobicContact CD2-CE2 4.33Å; F13-F18 HydrophobicContact CD2-CG 4.02Å; F13-F18 HydrophobicContact CE2-CB 4.22Å; F13-F18 HydrophobicContact CG-CD2 4.28Å; V16-F18 HydrophobicContact CB-CD2 4.39Å; V16-F18 HydrophobicContact CB-CE2 3.66Å; V16-F18 HydrophobicContact CB-CZ 4.23Å; V16-F18 HydrophobicContact CG1-CD2 4.19Å; V16-F18 HydrophobicContact CG1-CE2 3.54Å; V16-F18 HydrophobicContact CG1-CZ 3.73Å; V16-F18 WeakPolarHBondContact O-CD2 3.45Å; F18-I33 HydrophobicContact CB-CG2 3.93Å; F18-I33 HydrophobicContact CD1-CG2 3.83Å; F18-I33 HydrophobicContact CG-CG2 4.17Å; F18-S34 CarbonylContact C-O 3.59Å; F18-S34 WeakPolarHBondContact CA-O 3.37Å; F18-D35 HydrophobicContact CD1-CB 4.03Å; F18-D35 HydrophobicContact CE1-CB 3.83Å; F18-W42 HydrophobicContact CD1-CZ3 4.44Å; F18-W42 HydrophobicContact CE1-CH2 4.5Å; F18-W42 HydrophobicContact CE1-CZ3 4.03Å; F18-L86 HydrophobicContact CD1-CD2 4.13Å; F18-L86 HydrophobicContact CD2-CD2 4.18Å; F18-L86 HydrophobicContact CE1-CD2 4.09Å; F18-L86 HydrophobicContact CE2-CD2 4.08Å; F18-L86 HydrophobicContact CG-CD2 4.18Å; F18-L86 HydrophobicContact CZ-CD2 4.06Å
19S95.3Very high93Very high12 Ų1254.9 Ų54.98%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-82.8118.6167.71630000108.8M8 D10 I33 S34M8-S19 WeakPolarHBondContact CE-OG 3.43Å; D10-S19 WeakPolarHBondContact OD1-CA 3.36Å; D10-S19 WeakPolarHBondContact OD1-CB 3.41Å; S19-I33 WeakPolarHBondContact O-CA 3.39Å; S19-S34 PolarHBondContact N-O 3.29Å; S19-S34 PolarHBondContact O-N 3.32Å
20V96.2Very high93Very high0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-104.8114.6176.9-177.10000109M8 E9 I11 F13 I22 I33 V75M8-V20 WeakPolarHBondContact CA-O 3.38Å; E9-V20 PolarHBondContact N-O 2.91Å; E9-V20 PolarHBondContact O-N 3.21Å; I11-V20 HydrophobicContact CB-CG2 4.28Å; I11-V20 HydrophobicContact CD1-CB 4.33Å; I11-V20 HydrophobicContact CD1-CG2 4.12Å; I11-V20 HydrophobicContact CG1-CG2 4.34Å; F13-V20 HydrophobicContact CE2-CG2 3.7Å; F13-V20 HydrophobicContact CZ-CG2 4.06Å; V20-I22 HydrophobicContact CG1-CG1 4.43Å; V20-I33 HydrophobicContact CG1-CG1 4.44Å; V20-I33 HydrophobicContact CG2-CG1 4.33Å; V20-V75 HydrophobicContact CG1-CG2 3.97Å
21K95.3Very high93.1Very high47 Ų4747 Ų4720%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-105.8130.7174.4172.8174.6163.3164.20110.2E6 L7 M8 E23 E32E6-K21 VanDerWaalsContact CD-NZ 3.33Å; E6-K21 HydrophobicContact CG-CD 4.49Å; E6-K21 HydrophobicContact CG-CG 4.48Å; E6-K21 WeakPolarHBondContact OE1-CD 3.5Å; E6-K21 WeakPolarHBondContact OE1-CE 3.2Å; E6-K21 IonicContact OE1-NZ 3.87Å; E6-K21 PolarHBondContact OE1-NZ 3.45Å; E6-K21 IonicContact OE2-NZ 3.55Å; L7-K21 CarbonylContact O-C 3.58Å; L7-K21 VanDerWaalsContact O-CA 3.28Å; L7-K21 WeakPolarHBondContact O-CA 3.32Å; M8-K21 HydrophobicContact CB-CB 4.36Å; M8-K21 HydrophobicContact CG-CB 4.33Å; K21-E23 IonicContact NZ-OE2 3.8Å; K21-E32 HydrophobicContact CB-CB 4.28Å; K21-E32 PolarHBondContact N-O 3.42Å; K21-E32 PolarHBondContact O-N 3.45Å
22I95.6Very high93.2Very high0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-123.7131173.7-57.2164.8000108.2M1 L7 V20 L29 I30 L71 V75M1-I22 HydrophobicContact CE-CB 4.22Å; M1-I22 HydrophobicContact CE-CG2 3.85Å; M1-I22 HydrophobicContact SD-CG2 4.05Å; L7-I22 PolarHBondContact N-O 3.25Å; L7-I22 PolarHBondContact O-N 3.41Å; V20-I22 HydrophobicContact CG1-CG1 4.43Å; I22-L29 HydrophobicContact CG2-CD1 3.53Å; I22-I30 WeakPolarHBondContact CA-O 3.43Å; I22-L71 HydrophobicContact CD1-CD1 4.38Å; I22-L71 HydrophobicContact CD1-CD2 3.93Å; I22-L71 HydrophobicContact CD1-CG 3.61Å; I22-L71 HydrophobicContact CG1-CD2 4.34Å; I22-L71 HydrophobicContact CG2-CD2 4.4Å; I22-V75 HydrophobicContact CD1-CB 3.99Å; I22-V75 HydrophobicContact CD1-CG2 3.25Å; I22-V75 HydrophobicContact CG1-CG2 4.28Å
23E95Very high93.2Very high55 Ų5544 Ų4426%0.25723%0.227SC..EExtended strand (participates in β ladder)trans-132.1138.4177.9-177.5-177.5163.600109.2K21 I30K21-E23 IonicContact NZ-OE2 3.8Å; E23-I30 HydrophobicContact CB-CB 4.25Å; E23-I30 PolarHBondContact N-O 3.49Å; E23-I30 PolarHBondContact O-N 2.79Å
24L93.3Very high93.3Very high11 Ų1144.6 Ų44.66%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-110.5112.2169.1-70.2-173.2000109.7M1 G4 S5 L28 L29 F64 C68M1-L24 HydrophobicContact CB-CD1 3.42Å; M1-L24 VanDerWaalsContact CB-CD1 3.42Å; M1-L24 HydrophobicContact CB-CG 4.43Å; M1-L24 HydrophobicContact CE-CG 4.47Å; M1-L24 HydrophobicContact CG-CD1 3.46Å; M1-L24 VanDerWaalsContact CG-CD1 3.46Å; M1-L24 HydrophobicContact CG-CG 3.98Å; M1-L24 HydrophobicContact SD-CD1 3.67Å; M1-L24 HydrophobicContact SD-CG 3.65Å; G4-L24 VanDerWaalsContact CA-O 3.3Å; G4-L24 WeakPolarHBondContact CA-O 3.25Å; G4-L24 PolarHBondContact N-O 3.31Å; S5-L24 PolarHBondContact O-N 2.86Å; S5-L24 VanDerWaalsContact O-N 3.15Å; L24-L28 WeakPolarHBondContact CA-O 3.44Å; L24-L29 HydrophobicContact CD2-CB 3.88Å; L24-L29 HydrophobicContact CD2-CD1 3.6Å; L24-L29 HydrophobicContact CD2-CG 4.35Å; L24-F64 HydrophobicContact CD2-CZ 4.25Å; L24-C68 HydrophobicContact CD1-CB 4.01Å; L24-C68 HydrophobicContact CD2-CB 4.26Å
25D89.8Confident93.5Very high61 Ų6138.4 Ų38.433%0.32621%0.21SC..EExtended strand (participates in β ladder)trans-118.6114.7174.3-178.740.7000110.6N27 L28D25-N27 VanDerWaalsContact C-N 3.31Å; D25-N27 PolarHBondContact O-N 3.42Å; D25-L28 PolarHBondContact N-O 2.96Å; D25-L28 WeakPolarHBondContact O-CA 3.35Å; D25-L28 WeakPolarHBondContact O-CB 3.21Å; D25-L28 PolarHBondContact O-N 3.42Å
26K85.8Confident93.5Very high149 Ų14938.2 Ų38.265%0.64820%0.198SC*.THydrogen-bonded Turntrans51.945.1173.5-59.8177.8-156.571.60113.4D3 L28D3-K26 WeakPolarHBondContact OD1-CA 3.49Å; D3-K26 PolarHBondContact OD1-N 3.21Å; K26-L28 VanDerWaalsContact C-N 3.28Å; K26-L28 PolarHBondContact O-N 2.86Å
27N85.8Confident93.4Very high104 Ų10440.9 Ų40.956%0.55621%0.214SC*.THydrogen-bonded Turntrans66.516.9-172.9-54.2-49.4000115.9D25 P48 F64D25-N27 VanDerWaalsContact C-N 3.31Å; D25-N27 PolarHBondContact O-N 3.42Å; N27-P48 HydrophobicContact CB-CG 4.02Å; N27-P48 WeakPolarHBondContact O-CD 3.49Å; N27-P48 WeakPolarHBondContact O-CG 3.31Å; N27-F64 HydrophobicContact CB-CE1 4.3Å; N27-F64 WeakPolarHBondContact O-CE1 3.45Å; N27-F64 WeakPolarHBondContact O-CZ 3.42Å
28L93.4Very high93.1Very high37 Ų3738.8 Ų38.819%0.19421%0.208CC..EExtended strand (participates in β ladder)trans-99.8126169.3-172.468.9000109.1L24 D25 K26 I30 E45 D47L24-L28 WeakPolarHBondContact CA-O 3.44Å; D25-L28 PolarHBondContact N-O 2.96Å; D25-L28 WeakPolarHBondContact O-CA 3.35Å; D25-L28 WeakPolarHBondContact O-CB 3.21Å; D25-L28 PolarHBondContact O-N 3.42Å; K26-L28 VanDerWaalsContact C-N 3.28Å; K26-L28 PolarHBondContact O-N 2.86Å; L28-I30 HydrophobicContact CD2-CD1 4.42Å; L28-I30 HydrophobicContact CD2-CG1 4.23Å; L28-I30 HydrophobicContact CG-CG1 4.29Å; L28-E45 HydrophobicContact CD1-CB 4.41Å; L28-E45 HydrophobicContact CD2-CB 4.3Å; L28-E45 HydrophobicContact CG-CB 4.48Å; L28-D47 WeakPolarHBondContact CD1-OD1 3.28Å
29L95.3Very high92.8Very high0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-88.2114.5173.8171.768000109.6I22 L24 V31 E45 F46 I51 F64 F67 L71I22-L29 HydrophobicContact CG2-CD1 3.53Å; L24-L29 HydrophobicContact CD2-CB 3.88Å; L24-L29 HydrophobicContact CD2-CD1 3.6Å; L24-L29 HydrophobicContact CD2-CG 4.35Å; L29-V31 HydrophobicContact CD1-CG2 4.1Å; L29-V31 HydrophobicContact CD2-CG2 4.3Å; L29-V31 HydrophobicContact CG-CG2 3.97Å; L29-E45 CarbonylContact O-C 3.35Å; L29-E45 WeakPolarHBondContact O-CA 3.24Å; L29-F46 HydrophobicContact CB-CB 4.29Å; L29-F46 HydrophobicContact CD2-CD2 4.3Å; L29-F46 HydrophobicContact CG-CD2 4.31Å; L29-F46 PolarHBondContact N-O 3.45Å; L29-F46 PolarHBondContact O-N 3.48Å; L29-I51 HydrophobicContact CD2-CD1 4.23Å; L29-I51 HydrophobicContact CD2-CG1 4.49Å; L29-F64 HydrophobicContact CB-CE2 3.75Å; L29-F64 HydrophobicContact CB-CZ 3.91Å; L29-F67 HydrophobicContact CD2-CD1 4.18Å; L29-F67 HydrophobicContact CD2-CE1 4Å; L29-L71 HydrophobicContact CD1-CD2 4.12Å; L29-L71 HydrophobicContact CD2-CD2 3.96Å
30I96Very high92.6Very high12 Ų1241 Ų416%0.06223%0.226CC..EExtended strand (participates in β ladder)trans-104.8126.1175.4-52.5177.1000107.7I22 E23 L28 R43 G44 E45I22-I30 WeakPolarHBondContact CA-O 3.43Å; E23-I30 HydrophobicContact CB-CB 4.25Å; E23-I30 PolarHBondContact N-O 3.49Å; E23-I30 PolarHBondContact O-N 2.79Å; L28-I30 HydrophobicContact CD2-CD1 4.42Å; L28-I30 HydrophobicContact CD2-CG1 4.23Å; L28-I30 HydrophobicContact CG-CG1 4.29Å; I30-R43 HydrophobicContact CG2-CG 4.32Å; I30-G44 WeakPolarHBondContact CA-O 3.45Å; I30-E45 HydrophobicContact CG1-CG 4.26Å; I30-E45 HydrophobicContact CG2-CG 4.4Å
31V96.6Very high92.5Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-123.6123.6176.8-177.30000108.3L29 R43 G44 F46 L71 L121 L138L29-V31 HydrophobicContact CD1-CG2 4.1Å; L29-V31 HydrophobicContact CD2-CG2 4.3Å; L29-V31 HydrophobicContact CG-CG2 3.97Å; V31-R43 CarbonylContact O-C 3.6Å; V31-R43 WeakPolarHBondContact O-CA 3.25Å; V31-G44 PolarHBondContact N-O 3.39Å; V31-G44 PolarHBondContact O-N 2.88Å; V31-F46 HydrophobicContact CB-CE2 4.2Å; V31-F46 HydrophobicContact CG2-CD2 4.26Å; V31-F46 HydrophobicContact CG2-CE2 4.03Å; V31-L71 HydrophobicContact CG2-CD2 4.02Å; V31-L121 HydrophobicContact CG1-CD2 3.71Å; V31-L138 HydrophobicContact CB-CD2 4.07Å; V31-L138 HydrophobicContact CG1-CD1 4.33Å; V31-L138 HydrophobicContact CG1-CD2 4.18Å
32E95.7Very high92.6Very high33 Ų3341 Ų4115%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-123.2135.2177.3-173.5177.8150.500109.9K21 W42 R43K21-E32 HydrophobicContact CB-CB 4.28Å; K21-E32 PolarHBondContact N-O 3.42Å; K21-E32 PolarHBondContact O-N 3.45Å; E32-W42 CarbonylContact C-O 3.49Å; E32-W42 WeakPolarHBondContact CA-O 3.5Å; E32-R43 HydrophobicContact CB-CG 4.5Å; E32-R43 HydrophobicContact CG-CB 4.43Å
33I95.9Very high92.6Very high0 Ų045.7 Ų45.70%024%0.244CC..EExtended strand (participates in β ladder)trans-125126.2176.2-59.9-175.1000107.6F18 S19 V20 Q41 W42 L86 L121 L138F18-I33 HydrophobicContact CB-CG2 3.93Å; F18-I33 HydrophobicContact CD1-CG2 3.83Å; F18-I33 HydrophobicContact CG-CG2 4.17Å; S19-I33 WeakPolarHBondContact O-CA 3.39Å; V20-I33 HydrophobicContact CG1-CG1 4.44Å; V20-I33 HydrophobicContact CG2-CG1 4.33Å; I33-Q41 CarbonylContact O-C 3.57Å; I33-Q41 WeakPolarHBondContact O-CA 3.46Å; I33-W42 HydrophobicContact CG2-CE3 4.41Å; I33-W42 PolarHBondContact N-O 2.92Å; I33-W42 PolarHBondContact O-N 3.34Å; I33-L86 HydrophobicContact CD1-CD1 3.54Å; I33-L86 HydrophobicContact CD1-CD2 4.34Å; I33-L86 HydrophobicContact CG2-CD2 4.08Å; I33-L121 HydrophobicContact CD1-CB 4.1Å; I33-L121 HydrophobicContact CD1-CD1 3.97Å; I33-L121 HydrophobicContact CD1-CD2 4.32Å; I33-L121 HydrophobicContact CD1-CG 4.35Å; I33-L138 HydrophobicContact CB-CD1 4.41Å; I33-L138 HydrophobicContact CD1-CD1 3.3Å; I33-L138 HydrophobicContact CG1-CD1 3.67Å
34S94.9Very high92.6Very high22 Ų2243.3 Ų43.315%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-116.3130175.8-66.20000110F18 S19 D40 Q41F18-S34 CarbonylContact C-O 3.59Å; F18-S34 WeakPolarHBondContact CA-O 3.37Å; S19-S34 PolarHBondContact N-O 3.29Å; S19-S34 PolarHBondContact O-N 3.32Å; S34-D40 CarbonylContact C-O 3.55Å; S34-D40 WeakPolarHBondContact CA-O 3.44Å; S34-Q41 WeakPolarHBondContact OG-CG 3.26Å; S34-Q41 PolarHBondContact OG-NE2 3.48Å
35D93.7Very high92.7Very high19 Ų1947.9 Ų47.910%0.10226%0.256CS..EExtended strand (participates in β ladder)trans-72.4123.4169.1-170.6-46.3000109.4F18 V37 T38 A39 D40 W42F18-D35 HydrophobicContact CD1-CB 4.03Å; F18-D35 HydrophobicContact CE1-CB 3.83Å; D35-V37 PolarHBondContact O-N 2.88Å; D35-V37 WeakPolarHBondContact OD1-CA 3.48Å; D35-V37 PolarHBondContact OD1-N 2.68Å; D35-T38 VanDerWaalsContact CB-OG1 3.28Å; D35-T38 WeakPolarHBondContact CB-OG1 3.17Å; D35-T38 PolarHBondContact OD1-N 3.28Å; D35-T38 PolarHBondContact OD2-OG1 2.9Å; D35-A39 VanDerWaalsContact O-CA 3.3Å; D35-A39 WeakPolarHBondContact O-CA 3.36Å; D35-A39 PolarHBondContact O-N 3.36Å; D35-A39 VanDerWaalsContact O-N 3.08Å; D35-D40 HydrophobicContact CB-CB 4.19Å; D35-D40 PolarHBondContact N-O 3.44Å; D35-W42 HydrophobicContact CB-CH2 4.49Å; D35-W42 HydrophobicContact CB-CZ3 4.14Å
36S88.5Confident93Very high67 Ų6745.3 Ų45.347%0.46924%0.242SC..THydrogen-bonded Turntrans-68.4-22.2-176.865.30000113E17E17-S36 PolarHBondContact O-N 3.44Å; E17-S36 PolarHBondContact O-OG 2.87Å; E17-S36 VanDerWaalsContact O-OG 3.12Å
37V89.3Confident93.5Very high120 Ų12043 Ų4373%0.72724%0.236SC*.THydrogen-bonded Turntrans-98.3-48.7-176.6-176.80000111.4D35D35-V37 PolarHBondContact O-N 2.88Å; D35-V37 WeakPolarHBondContact OD1-CA 3.48Å; D35-V37 PolarHBondContact OD1-N 2.68Å
38T88.7Confident94Very high51 Ų5140.1 Ų40.131%0.31322%0.223SC..THydrogen-bonded Turntrans-90.1-12.3-174.368.40000113.9D35 D40 K143D35-T38 VanDerWaalsContact CB-OG1 3.28Å; D35-T38 WeakPolarHBondContact CB-OG1 3.17Å; D35-T38 PolarHBondContact OD1-N 3.28Å; D35-T38 PolarHBondContact OD2-OG1 2.9Å; T38-D40 VanDerWaalsContact CB-OD2 3.3Å; T38-D40 WeakPolarHBondContact CB-OD2 3.29Å; T38-D40 PolarHBondContact O-N 2.97Å; T38-D40 VanDerWaalsContact OG1-CB 3.29Å; T38-D40 WeakPolarHBondContact OG1-CB 3.43Å; T38-D40 PolarHBondContact OG1-N 3.18Å; T38-D40 PolarHBondContact OG1-OD2 3.45Å; T38-K143 VanDerWaalsContact O-CE 3.31Å; T38-K143 WeakPolarHBondContact O-CE 3.22Å; T38-K143 PolarHBondContact O-NZ 2.91Å
39A88.6Confident94.1Very high46 Ų4641.6 Ų41.638%0.3824%0.241SC..  trans58.722.1-169.800000113.6D35 P144D35-A39 VanDerWaalsContact O-CA 3.3Å; D35-A39 WeakPolarHBondContact O-CA 3.36Å; D35-A39 PolarHBondContact O-N 3.36Å; D35-A39 VanDerWaalsContact O-N 3.08Å; A39-P144 WeakPolarHBondContact O-CD 3.47Å
40D92.4Very high94.2Very high28 Ų2846.3 Ų46.315%0.1526%0.259CS..  trans-73.5132.5175.3-75.8-38.6000110.6S34 D35 T38 W42 Y140 K143S34-D40 CarbonylContact C-O 3.55Å; S34-D40 WeakPolarHBondContact CA-O 3.44Å; D35-D40 HydrophobicContact CB-CB 4.19Å; D35-D40 PolarHBondContact N-O 3.44Å; T38-D40 VanDerWaalsContact CB-OD2 3.3Å; T38-D40 WeakPolarHBondContact CB-OD2 3.29Å; T38-D40 PolarHBondContact O-N 2.97Å; T38-D40 VanDerWaalsContact OG1-CB 3.29Å; T38-D40 WeakPolarHBondContact OG1-CB 3.43Å; T38-D40 PolarHBondContact OG1-N 3.18Å; T38-D40 PolarHBondContact OG1-OD2 3.45Å; D40-W42 HydrophobicContact CB-CH2 3.46Å; D40-W42 VanDerWaalsContact CB-CH2 3.46Å; D40-W42 HydrophobicContact CB-CZ2 4.04Å; D40-W42 HydrophobicContact CB-CZ3 3.84Å; D40-W42 VanDerWaalsContact O-CZ3 3.29Å; D40-W42 WeakPolarHBondContact O-CZ3 3.49Å; D40-Y140 HydrophobicContact CB-CE2 3.76Å; D40-Y140 PolarHBondContact OD1-OH 3.35Å; D40-K143 VanDerWaalsContact OD1-CE 3.24Å; D40-K143 WeakPolarHBondContact OD1-CE 3.14Å; D40-K143 WeakPolarHBondContact OD1-CG 3.44Å
41Q94Very high94.3Very high39 Ų3945.7 Ų45.718%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-116.3139.2-177.5-62.1-172.8-27.600112.7I33 S34 Y140 V141 G142I33-Q41 CarbonylContact O-C 3.57Å; I33-Q41 WeakPolarHBondContact O-CA 3.46Å; S34-Q41 WeakPolarHBondContact OG-CG 3.26Å; S34-Q41 PolarHBondContact OG-NE2 3.48Å; Q41-Y140 WeakPolarHBondContact O-CD2 3.35Å; Q41-V141 HydrophobicContact CB-CB 4.37Å; Q41-V141 PolarHBondContact O-N 2.94Å; Q41-G142 WeakPolarHBondContact CB-O 3.24Å; Q41-G142 PolarHBondContact N-O 2.74Å
42W95.8Very high94.3Very high8 Ų848.4 Ų48.43%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-127.2128.7171.3-60.6-92.3000110F18 E32 I33 D35 D40 A117 R119 L138 P139 Y140F18-W42 HydrophobicContact CD1-CZ3 4.44Å; F18-W42 HydrophobicContact CE1-CH2 4.5Å; F18-W42 HydrophobicContact CE1-CZ3 4.03Å; E32-W42 CarbonylContact C-O 3.49Å; E32-W42 WeakPolarHBondContact CA-O 3.5Å; I33-W42 HydrophobicContact CG2-CE3 4.41Å; I33-W42 PolarHBondContact N-O 2.92Å; I33-W42 PolarHBondContact O-N 3.34Å; D35-W42 HydrophobicContact CB-CH2 4.49Å; D35-W42 HydrophobicContact CB-CZ3 4.14Å; D40-W42 HydrophobicContact CB-CH2 3.46Å; D40-W42 VanDerWaalsContact CB-CH2 3.46Å; D40-W42 HydrophobicContact CB-CZ2 4.04Å; D40-W42 HydrophobicContact CB-CZ3 3.84Å; D40-W42 VanDerWaalsContact O-CZ3 3.29Å; D40-W42 WeakPolarHBondContact O-CZ3 3.49Å; W42-A117 PolarHBondContact NE1-O 3.41Å; W42-R119 HydrophobicContact CB-CB 4.5Å; W42-R119 HydrophobicContact CD2-CB 4.31Å; W42-R119 HydrophobicContact CD2-CG 3.55Å; W42-R119 HydrophobicContact CE3-CG 4.22Å; W42-R119 HydrophobicContact CG-CB 4.02Å; W42-R119 HydrophobicContact CG-CG 3.73Å; W42-R119 HydrophobicContact CZ2-CG 3.93Å; W42-L138 HydrophobicContact CB-CB 3.76Å; W42-P139 CarbonylContact C-O 3.59Å; W42-P139 WeakPolarHBondContact CA-O 3.31Å; W42-Y140 VanDerWaalsContact CD1-CA 3.45Å; W42-Y140 AromaticContact CD1-CD2 3.89Å; W42-Y140 HydrophobicContact CD2-CD2 4.25Å; W42-Y140 AromaticContact CE2-CD2 3.64Å; W42-Y140 HydrophobicContact CG-CD2 4.37Å; W42-Y140 HydrophobicContact CZ2-CD2 4.07Å; W42-Y140 HydrophobicContact CZ2-CE2 4.3Å; W42-Y140 AromaticContact NE1-CD2 3.39Å; W42-Y140 AromaticContact NE1-CG 3.91Å
43R95.6Very high94.4Very high97 Ų9750.5 Ų50.537%0.36628%0.281SS..EExtended strand (participates in β ladder)trans-133.2134.9-176.5-177.8175.3159160.7-1.6110.8I30 V31 E32 E45 P139 V141I30-R43 HydrophobicContact CG2-CG 4.32Å; V31-R43 CarbonylContact O-C 3.6Å; V31-R43 WeakPolarHBondContact O-CA 3.25Å; E32-R43 HydrophobicContact CB-CG 4.5Å; E32-R43 HydrophobicContact CG-CB 4.43Å; R43-E45 IonicContact CZ-OE1 3.21Å; R43-E45 IonicContact NE-OE1 3.27Å; R43-E45 PolarHBondContact NE-OE1 3.27Å; R43-E45 IonicContact NH2-OE1 2.71Å; R43-E45 PolarHBondContact NH2-OE1 3.39Å; R43-P139 PolarHBondContact N-O 2.89Å; R43-P139 VanDerWaalsContact O-CD 3.25Å; R43-P139 WeakPolarHBondContact O-CD 3.42Å; R43-V141 HydrophobicContact CB-CG2 3.58Å
44G95.3Very high94.4Very high5 Ų551.4 Ų51.45%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-131.8144.117400000111.3I30 V31I30-G44 WeakPolarHBondContact CA-O 3.45Å; V31-G44 PolarHBondContact N-O 3.39Å; V31-G44 PolarHBondContact O-N 2.88Å
45E96.3Very high94.5Very high108 Ų10850.3 Ų50.351%0.50528%0.278SS..EExtended strand (participates in β ladder)trans-119.7130.7177.5-59.9-179176.800108.2L28 L29 I30 R43L28-E45 HydrophobicContact CD1-CB 4.41Å; L28-E45 HydrophobicContact CD2-CB 4.3Å; L28-E45 HydrophobicContact CG-CB 4.48Å; L29-E45 CarbonylContact O-C 3.35Å; L29-E45 WeakPolarHBondContact O-CA 3.24Å; I30-E45 HydrophobicContact CG1-CG 4.26Å; I30-E45 HydrophobicContact CG2-CG 4.4Å; R43-E45 IonicContact CZ-OE1 3.21Å; R43-E45 IonicContact NE-OE1 3.27Å; R43-E45 PolarHBondContact NE-OE1 3.27Å; R43-E45 IonicContact NH2-OE1 2.71Å; R43-E45 PolarHBondContact NH2-OE1 3.39Å
46F96.1Very high94.6Very high7 Ų755.6 Ų55.63%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-133.2114.8-169.8-52.5-72.8000111.8L29 V31 Y50 I51 L136 P137 L138L29-F46 HydrophobicContact CB-CB 4.29Å; L29-F46 HydrophobicContact CD2-CD2 4.3Å; L29-F46 HydrophobicContact CG-CD2 4.31Å; L29-F46 PolarHBondContact N-O 3.45Å; L29-F46 PolarHBondContact O-N 3.48Å; V31-F46 HydrophobicContact CB-CE2 4.2Å; V31-F46 HydrophobicContact CG2-CD2 4.26Å; V31-F46 HydrophobicContact CG2-CE2 4.03Å; F46-Y50 HydrophobicContact CB-CD1 4.22Å; F46-Y50 AromaticContact CD1-CD1 3.61Å; F46-Y50 HydrophobicContact CD1-CD1 3.61Å; F46-Y50 AromaticContact CD1-CE1 3.45Å; F46-Y50 HydrophobicContact CD1-CE1 3.45Å; F46-Y50 VanDerWaalsContact CD1-CE1 3.45Å; F46-Y50 HydrophobicContact CE1-CD1 4.48Å; F46-Y50 AromaticContact CE1-CE1 3.88Å; F46-Y50 HydrophobicContact CE1-CE1 3.88Å; F46-Y50 HydrophobicContact CG-CD1 4.34Å; F46-Y50 HydrophobicContact CG-CE1 4.49Å; F46-I51 HydrophobicContact CB-CD1 3.68Å; F46-I51 HydrophobicContact CB-CG1 3.85Å; F46-I51 HydrophobicContact CD1-CD1 4.49Å; F46-I51 HydrophobicContact CG-CD1 4.04Å; F46-L136 HydrophobicContact CD1-CD2 4.38Å; F46-L136 HydrophobicContact CD2-CD2 4.31Å; F46-L136 HydrophobicContact CE1-CD2 4.22Å; F46-L136 HydrophobicContact CE2-CB 4.17Å; F46-L136 HydrophobicContact CE2-CD2 4.14Å; F46-L136 HydrophobicContact CG-CD2 4.41Å; F46-L136 HydrophobicContact CZ-CB 3.83Å; F46-L136 HydrophobicContact CZ-CD2 4.09Å; F46-L136 HydrophobicContact CZ-CG 4.48Å; F46-P137 HydrophobicContact CE1-CG 4.33Å; F46-P137 WeakPolarHBondContact CZ-O 3.39Å; F46-L138 HydrophobicContact CE2-CD2 4.02Å; F46-L138 HydrophobicContact CZ-CD2 3.91Å
47D96Very high95Very high99 Ų9960.6 Ų60.653%0.52931%0.31SS..  trans-69.5156.3173.2-63.4-36.2000111.6L28 A49 Y50 I51L28-D47 WeakPolarHBondContact CD1-OD1 3.28Å; D47-A49 VanDerWaalsContact C-N 3.3Å; D47-A49 PolarHBondContact O-N 3.1Å; D47-Y50 WeakPolarHBondContact O-CB 3.45Å; D47-Y50 PolarHBondContact O-N 3.4Å; D47-I51 PolarHBondContact O-N 3.31Å; D47-I51 VanDerWaalsContact O-N 3.14Å
48P96.2Very high95.2Very high44 Ų4457.2 Ų57.229%0.28629%0.29SS..Hα-helixtrans-55.8-43.4176.9-2736.2000113.3N27 Y50 I51 E52 F64N27-P48 HydrophobicContact CB-CG 4.02Å; N27-P48 WeakPolarHBondContact O-CD 3.49Å; N27-P48 WeakPolarHBondContact O-CG 3.31Å; P48-Y50 VanDerWaalsContact C-N 3.28Å; P48-Y50 PolarHBondContact O-N 2.96Å; P48-I51 PolarHBondContact O-N 2.93Å; P48-E52 WeakPolarHBondContact O-CB 3.33Å; P48-E52 WeakPolarHBondContact O-CG 3.27Å; P48-E52 PolarHBondContact O-N 2.77Å; P48-F64 HydrophobicContact CB-CB 3.83Å; P48-F64 HydrophobicContact CB-CD1 4.03Å; P48-F64 HydrophobicContact CB-CD2 4.05Å; P48-F64 HydrophobicContact CB-CG 3.71Å; P48-F64 HydrophobicContact CG-CD1 3.94Å; P48-F64 HydrophobicContact CG-CD2 4.3Å; P48-F64 HydrophobicContact CG-CE1 4.05Å; P48-F64 HydrophobicContact CG-CE2 4.37Å; P48-F64 HydrophobicContact CG-CG 4.05Å; P48-F64 HydrophobicContact CG-CZ 4.25Å
49A96.4Very high95.3Very high68 Ų6858.2 Ų58.256%0.56231%0.31SS*.Hα-helixtrans-61.7-37.3178.100000112D47 D53D47-A49 VanDerWaalsContact C-N 3.3Å; D47-A49 PolarHBondContact O-N 3.1Å; A49-D53 WeakPolarHBondContact O-CB 3.48Å; A49-D53 PolarHBondContact O-N 3.15Å
50Y96.7Very high95.6Very high99 Ų9957.7 Ų57.739%0.38830%0.301SS..Hα-helixtrans-66.1-47.5178.5178.7-89.7000111.5F46 D47 P48 D53 L54 P137F46-Y50 HydrophobicContact CB-CD1 4.22Å; F46-Y50 AromaticContact CD1-CD1 3.61Å; F46-Y50 HydrophobicContact CD1-CD1 3.61Å; F46-Y50 AromaticContact CD1-CE1 3.45Å; F46-Y50 HydrophobicContact CD1-CE1 3.45Å; F46-Y50 VanDerWaalsContact CD1-CE1 3.45Å; F46-Y50 HydrophobicContact CE1-CD1 4.48Å; F46-Y50 AromaticContact CE1-CE1 3.88Å; F46-Y50 HydrophobicContact CE1-CE1 3.88Å; F46-Y50 HydrophobicContact CG-CD1 4.34Å; F46-Y50 HydrophobicContact CG-CE1 4.49Å; D47-Y50 WeakPolarHBondContact O-CB 3.45Å; D47-Y50 PolarHBondContact O-N 3.4Å; P48-Y50 VanDerWaalsContact C-N 3.28Å; P48-Y50 PolarHBondContact O-N 2.96Å; Y50-D53 PolarHBondContact O-N 3.31Å; Y50-L54 HydrophobicContact CE1-CD2 4.45Å; Y50-L54 VanDerWaalsContact O-CB 3.31Å; Y50-L54 WeakPolarHBondContact O-CB 3.39Å; Y50-L54 PolarHBondContact O-N 3.29Å; Y50-P137 WeakPolarHBondContact OH-CG 3.46Å
51I96.9Very high95.8Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-64.8-42.3179.4-66.6-60.5000111.4L29 F46 D47 P48 D53 L54 T55 F64 F67 L136L29-I51 HydrophobicContact CD2-CD1 4.23Å; L29-I51 HydrophobicContact CD2-CG1 4.49Å; F46-I51 HydrophobicContact CB-CD1 3.68Å; F46-I51 HydrophobicContact CB-CG1 3.85Å; F46-I51 HydrophobicContact CD1-CD1 4.49Å; F46-I51 HydrophobicContact CG-CD1 4.04Å; D47-I51 PolarHBondContact O-N 3.31Å; D47-I51 VanDerWaalsContact O-N 3.14Å; P48-I51 PolarHBondContact O-N 2.93Å; I51-D53 VanDerWaalsContact C-N 3.33Å; I51-D53 PolarHBondContact O-N 3.13Å; I51-L54 HydrophobicContact CD1-CD2 4.41Å; I51-L54 WeakPolarHBondContact O-CB 3.33Å; I51-L54 PolarHBondContact O-N 3.16Å; I51-T55 HydrophobicContact CG2-CG2 4.37Å; I51-T55 WeakPolarHBondContact O-CG2 3.4Å; I51-T55 PolarHBondContact O-N 2.86Å; I51-T55 PolarHBondContact O-OG1 2.99Å; I51-F64 HydrophobicContact CB-CD2 3.89Å; I51-F64 HydrophobicContact CG1-CD2 3.91Å; I51-F64 HydrophobicContact CG1-CE2 4.08Å; I51-F64 HydrophobicContact CG2-CD2 4.12Å; I51-F67 HydrophobicContact CD1-CD1 4.19Å; I51-F67 HydrophobicContact CD1-CE1 3.85Å; I51-F67 HydrophobicContact CD1-CZ 4.37Å; I51-F67 HydrophobicContact CG1-CD1 4.48Å; I51-F67 HydrophobicContact CG2-CB 3.64Å; I51-F67 HydrophobicContact CG2-CD1 3.5Å; I51-F67 VanDerWaalsContact CG2-CD1 3.5Å; I51-F67 HydrophobicContact CG2-CD2 3.97Å; I51-F67 HydrophobicContact CG2-CE1 4.12Å; I51-F67 HydrophobicContact CG2-CG 3.41Å; I51-F67 VanDerWaalsContact CG2-CG 3.41Å; I51-L136 HydrophobicContact CD1-CD2 3.63Å
52E96.8Very high95.9Very high56 Ų5660 Ų6026%0.26231%0.309SS..Hα-helixtrans-62.7-40.9176.8-78.8-171.5-177.900112.1P48 T55 R56 F61 F64P48-E52 WeakPolarHBondContact O-CB 3.33Å; P48-E52 WeakPolarHBondContact O-CG 3.27Å; P48-E52 PolarHBondContact O-N 2.77Å; E52-T55 PolarHBondContact O-OG1 3.5Å; E52-R56 VanDerWaalsContact O-CB 3.28Å; E52-R56 WeakPolarHBondContact O-CB 3.33Å; E52-R56 PolarHBondContact O-N 3.13Å; E52-F61 HydrophobicContact CB-CE2 3.84Å; E52-F61 HydrophobicContact CG-CE2 3.92Å; E52-F61 HydrophobicContact CG-CZ 4.16Å; E52-F64 HydrophobicContact CG-CB 4.44Å; E52-F64 PolarHBondContact OE1-N 2.96Å
53D97.7Very high96Very high78 Ų7864.8 Ų64.842%0.41733%0.332SS..Hα-helixtrans-71.6-36.4174.8-86.74.8000113A49 Y50 I51 R56 K57A49-D53 WeakPolarHBondContact O-CB 3.48Å; A49-D53 PolarHBondContact O-N 3.15Å; Y50-D53 PolarHBondContact O-N 3.31Å; I51-D53 VanDerWaalsContact C-N 3.33Å; I51-D53 PolarHBondContact O-N 3.13Å; D53-R56 PolarHBondContact O-N 3.02Å; D53-R56 IonicContact OD1-NE 3.8Å; D53-R56 IonicContact OD1-NH2 3.52Å; D53-K57 WeakPolarHBondContact O-CB 3.21Å; D53-K57 VanDerWaalsContact O-CG 3.23Å; D53-K57 WeakPolarHBondContact O-CG 3.4Å; D53-K57 PolarHBondContact O-N 3.39Å
54L96.6Very high96Very high18 Ų1860.7 Ų60.79%0.09432%0.316CS..Hα-helixtrans-57.5-51.8172.6174.967000110.1Y50 I51 R56 K57 T58 P135 L136Y50-L54 HydrophobicContact CE1-CD2 4.45Å; Y50-L54 VanDerWaalsContact O-CB 3.31Å; Y50-L54 WeakPolarHBondContact O-CB 3.39Å; Y50-L54 PolarHBondContact O-N 3.29Å; I51-L54 HydrophobicContact CD1-CD2 4.41Å; I51-L54 WeakPolarHBondContact O-CB 3.33Å; I51-L54 PolarHBondContact O-N 3.16Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 2.92Å; L54-K57 PolarHBondContact O-N 2.97Å; L54-T58 WeakPolarHBondContact O-CG2 3.48Å; L54-T58 PolarHBondContact O-N 2.88Å; L54-P135 HydrophobicContact CD1-CG 4.22Å; L54-L136 HydrophobicContact CD2-CD2 3.67Å
55T96.4Very high95.9Very high0 Ų064.4 Ų64.40%034%0.34CS..Hα-helixtrans-67.3-37.2-177.964.40000111.2I51 E52 K57 T58 N60 K62 F67 Y134I51-T55 HydrophobicContact CG2-CG2 4.37Å; I51-T55 WeakPolarHBondContact O-CG2 3.4Å; I51-T55 PolarHBondContact O-N 2.86Å; I51-T55 PolarHBondContact O-OG1 2.99Å; E52-T55 PolarHBondContact O-OG1 3.5Å; T55-K57 PolarHBondContact O-N 2.96Å; T55-T58 PolarHBondContact O-N 3.02Å; T55-T58 PolarHBondContact O-OG1 2.98Å; T55-N60 CarbonylContact C-O 3.59Å; T55-N60 CarbonylContact O-C 3.49Å; T55-N60 PolarHBondContact O-N 3.21Å; T55-N60 VanDerWaalsContact O-O 3.08Å; T55-K62 HydrophobicContact CG2-CB 3.93Å; T55-K62 PolarHBondContact OG1-N 3.41Å; T55-K62 PolarHBondContact OG1-O 3.5Å; T55-F67 HydrophobicContact CG2-CD2 3.66Å; T55-F67 HydrophobicContact CG2-CE2 4.06Å; T55-Y134 HydrophobicContact CG2-CD1 3.69Å; T55-Y134 HydrophobicContact CG2-CE1 3.59Å; T55-Y134 HydrophobicContact CG2-CG 4.48Å
56R96.7Very high95.9Very high129 Ų12962.9 Ų62.949%0.48733%0.334SS..Hα-helixtrans-60.1-43172.5-163.1-173.5-43.8-71.5-5112.6E52 D53 L54 T58 G59 F61E52-R56 VanDerWaalsContact O-CB 3.28Å; E52-R56 WeakPolarHBondContact O-CB 3.33Å; E52-R56 PolarHBondContact O-N 3.13Å; D53-R56 PolarHBondContact O-N 3.02Å; D53-R56 IonicContact OD1-NE 3.8Å; D53-R56 IonicContact OD1-NH2 3.52Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 2.92Å; R56-T58 VanDerWaalsContact C-N 3.26Å; R56-T58 PolarHBondContact O-N 3.46Å; R56-G59 PolarHBondContact O-N 2.88Å; R56-F61 HydrophobicContact CB-CD2 4.29Å
57K95.6Very high95.9Very high173 Ų17362.5 Ų62.575%0.75233%0.333SS*.Hα-helixtrans-63.8-29.5178.5-76167.6-175169.70113.1D53 L54 T55 G59D53-K57 WeakPolarHBondContact O-CB 3.21Å; D53-K57 VanDerWaalsContact O-CG 3.23Å; D53-K57 WeakPolarHBondContact O-CG 3.4Å; D53-K57 PolarHBondContact O-N 3.39Å; L54-K57 PolarHBondContact O-N 2.97Å; T55-K57 PolarHBondContact O-N 2.96Å; K57-G59 PolarHBondContact O-N 2.95Å
58T93.4Very high95.8Very high49 Ų4957.9 Ų57.930%0.30131%0.308SS..THydrogen-bonded Turntrans-77.4-6.6175.666.90000113.8L54 T55 R56 N60 I132 H133 Y134L54-T58 WeakPolarHBondContact O-CG2 3.48Å; L54-T58 PolarHBondContact O-N 2.88Å; T55-T58 PolarHBondContact O-N 3.02Å; T55-T58 PolarHBondContact O-OG1 2.98Å; R56-T58 VanDerWaalsContact C-N 3.26Å; R56-T58 PolarHBondContact O-N 3.46Å; T58-N60 VanDerWaalsContact C-N 3.32Å; T58-I132 HydrophobicContact CG2-CG2 4.49Å; T58-H133 WeakPolarHBondContact CG2-O 3.2Å; T58-Y134 HydrophobicContact CG2-CD1 3.79Å; T58-Y134 HydrophobicContact CG2-CE1 4.22Å; T58-Y134 WeakPolarHBondContact OG1-CD1 3.36Å; T58-Y134 WeakPolarHBondContact OG1-CE1 3.24Å
59G92.7Very high95.8Very high71 Ų7158.1 Ų58.173%0.73231%0.311SS*.THydrogen-bonded Turntrans85.9-3.4-178.200000114.6R56 K57R56-G59 PolarHBondContact O-N 2.88Å; K57-G59 PolarHBondContact O-N 2.95Å
60N94.6Very high95.7Very high35 Ų3555.8 Ų55.819%0.18729%0.288CS..  trans-128.594.3176.6-169.3-69.1000110.2T55 T58 K62 I132 Y134T55-N60 CarbonylContact C-O 3.59Å; T55-N60 CarbonylContact O-C 3.49Å; T55-N60 PolarHBondContact O-N 3.21Å; T55-N60 VanDerWaalsContact O-O 3.08Å; T58-N60 VanDerWaalsContact C-N 3.32Å; N60-K62 PolarHBondContact OD1-NZ 2.74Å; N60-I132 HydrophobicContact CB-CB 4.46Å; N60-I132 HydrophobicContact CB-CD1 3.6Å; N60-I132 HydrophobicContact CB-CG1 3.76Å; N60-I132 HydrophobicContact CB-CG2 4.16Å; N60-I132 WeakPolarHBondContact ND2-CD1 3.3Å; N60-Y134 WeakPolarHBondContact CB-OH 3.28Å; N60-Y134 WeakPolarHBondContact O-CE1 3.45Å; N60-Y134 PolarHBondContact O-OH 3.27Å; N60-Y134 PolarHBondContact OD1-OH 3.12Å
61F96.3Very high95.7Very high85 Ų8551 Ų5137%0.37327%0.27SS..  trans-68.1137-176.9176.8-105.7000112.1E52 R56 Q63E52-F61 HydrophobicContact CB-CE2 3.84Å; E52-F61 HydrophobicContact CG-CE2 3.92Å; E52-F61 HydrophobicContact CG-CZ 4.16Å; R56-F61 HydrophobicContact CB-CD2 4.29Å; F61-Q63 HydrophobicContact CE1-CG 3.9Å; F61-Q63 HydrophobicContact CZ-CG 4.21Å
62K96.3Very high95.6Very high31 Ų3152.3 Ų52.314%0.13528%0.276CS..  trans-133.5132.7171.2-68-72.4-177.8-820108.6T55 N60 I66 F67 M70T55-K62 HydrophobicContact CG2-CB 3.93Å; T55-K62 PolarHBondContact OG1-N 3.41Å; T55-K62 PolarHBondContact OG1-O 3.5Å; N60-K62 PolarHBondContact OD1-NZ 2.74Å; K62-I66 HydrophobicContact CD-CG2 3.89Å; K62-F67 HydrophobicContact CB-CB 4.41Å; K62-M70 HydrophobicContact CD-SD 3.7Å; K62-M70 VanDerWaalsContact CE-SD 3.6Å; K62-M70 HydrophobicContact CG-SD 4.03Å
63Q96.4Very high95.5Very high109 Ų10951.3 Ų51.351%0.50928%0.275SS..  trans-64.3150170.5-63.1-178.8-58.600109.3F61 I66 F67F61-Q63 HydrophobicContact CE1-CG 3.9Å; F61-Q63 HydrophobicContact CZ-CG 4.21Å; Q63-I66 HydrophobicContact CB-CD1 4Å; Q63-I66 HydrophobicContact CB-CG1 4.18Å; Q63-I66 HydrophobicContact CG-CD1 4.29Å; Q63-I66 WeakPolarHBondContact O-CB 3.3Å; Q63-I66 PolarHBondContact O-N 3.01Å; Q63-I66 VanDerWaalsContact O-N 3.09Å; Q63-F67 PolarHBondContact O-N 3.41Å
64F95.9Very high95.4Very high10 Ų1047.9 Ų47.94%0.04426%0.257CS..Hα-helixtrans-51.6-49.8-177.3173.4-102.4000114.1L24 N27 L29 P48 I51 E52 I66 F67 C68L24-F64 HydrophobicContact CD2-CZ 4.25Å; N27-F64 HydrophobicContact CB-CE1 4.3Å; N27-F64 WeakPolarHBondContact O-CE1 3.45Å; N27-F64 WeakPolarHBondContact O-CZ 3.42Å; L29-F64 HydrophobicContact CB-CE2 3.75Å; L29-F64 HydrophobicContact CB-CZ 3.91Å; P48-F64 HydrophobicContact CB-CB 3.83Å; P48-F64 HydrophobicContact CB-CD1 4.03Å; P48-F64 HydrophobicContact CB-CD2 4.05Å; P48-F64 HydrophobicContact CB-CG 3.71Å; P48-F64 HydrophobicContact CG-CD1 3.94Å; P48-F64 HydrophobicContact CG-CD2 4.3Å; P48-F64 HydrophobicContact CG-CE1 4.05Å; P48-F64 HydrophobicContact CG-CE2 4.37Å; P48-F64 HydrophobicContact CG-CG 4.05Å; P48-F64 HydrophobicContact CG-CZ 4.25Å; I51-F64 HydrophobicContact CB-CD2 3.89Å; I51-F64 HydrophobicContact CG1-CD2 3.91Å; I51-F64 HydrophobicContact CG1-CE2 4.08Å; I51-F64 HydrophobicContact CG2-CD2 4.12Å; E52-F64 HydrophobicContact CG-CB 4.44Å; E52-F64 PolarHBondContact OE1-N 2.96Å; F64-I66 VanDerWaalsContact C-N 3.27Å; F64-I66 PolarHBondContact O-N 3.21Å; F64-F67 WeakPolarHBondContact O-CB 3.43Å; F64-F67 PolarHBondContact O-N 3.45Å; F64-F67 VanDerWaalsContact O-N 3.11Å; F64-C68 VanDerWaalsContact CE2-SG 3.6Å; F64-C68 VanDerWaalsContact CZ-SG 3.57Å; F64-C68 PolarHBondContact O-N 2.93Å; F64-C68 PolarHBondContact O-SG 3.38Å
65P94.4Very high95.3Very high84 Ų8447.1 Ų47.155%0.54525%0.253SS..Hα-helixtrans-63.9-31.9-179.5-2234.3000113.7S69P65-S69 WeakPolarHBondContact O-CB 3.45Å; P65-S69 PolarHBondContact O-N 3.5Å; P65-S69 PolarHBondContact O-OG 2.99Å
66I95.3Very high95.2Very high75 Ų7553 Ų5339%0.38528%0.276SS..Hα-helixtrans-68.9-44.9176.2-57.4175.9000109.2K62 Q63 F64 C68 S69 M70K62-I66 HydrophobicContact CD-CG2 3.89Å; Q63-I66 HydrophobicContact CB-CD1 4Å; Q63-I66 HydrophobicContact CB-CG1 4.18Å; Q63-I66 HydrophobicContact CG-CD1 4.29Å; Q63-I66 WeakPolarHBondContact O-CB 3.3Å; Q63-I66 PolarHBondContact O-N 3.01Å; Q63-I66 VanDerWaalsContact O-N 3.09Å; F64-I66 VanDerWaalsContact C-N 3.27Å; F64-I66 PolarHBondContact O-N 3.21Å; I66-C68 PolarHBondContact O-N 2.66Å; I66-S69 PolarHBondContact O-N 3.01Å; I66-M70 HydrophobicContact CG2-CG 4.4Å; I66-M70 HydrophobicContact CG2-SD 4.13Å; I66-M70 VanDerWaalsContact O-CG 3.28Å; I66-M70 WeakPolarHBondContact O-CG 3.45Å; I66-M70 PolarHBondContact O-N 2.95Å
67F96.2Very high95Very high0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-59.7-45.3176.9-175.8-88.4000111.7L29 I51 T55 K62 Q63 F64 S69 M70 L71 L123 Y134 L136L29-F67 HydrophobicContact CD2-CD1 4.18Å; L29-F67 HydrophobicContact CD2-CE1 4Å; I51-F67 HydrophobicContact CD1-CD1 4.19Å; I51-F67 HydrophobicContact CD1-CE1 3.85Å; I51-F67 HydrophobicContact CD1-CZ 4.37Å; I51-F67 HydrophobicContact CG1-CD1 4.48Å; I51-F67 HydrophobicContact CG2-CB 3.64Å; I51-F67 HydrophobicContact CG2-CD1 3.5Å; I51-F67 VanDerWaalsContact CG2-CD1 3.5Å; I51-F67 HydrophobicContact CG2-CD2 3.97Å; I51-F67 HydrophobicContact CG2-CE1 4.12Å; I51-F67 HydrophobicContact CG2-CG 3.41Å; I51-F67 VanDerWaalsContact CG2-CG 3.41Å; T55-F67 HydrophobicContact CG2-CD2 3.66Å; T55-F67 HydrophobicContact CG2-CE2 4.06Å; K62-F67 HydrophobicContact CB-CB 4.41Å; Q63-F67 PolarHBondContact O-N 3.41Å; F64-F67 WeakPolarHBondContact O-CB 3.43Å; F64-F67 PolarHBondContact O-N 3.45Å; F64-F67 VanDerWaalsContact O-N 3.11Å; F67-S69 VanDerWaalsContact C-N 3.34Å; F67-S69 PolarHBondContact O-N 3.48Å; F67-M70 WeakPolarHBondContact O-CB 3.37Å; F67-M70 PolarHBondContact O-N 3.35Å; F67-L71 HydrophobicContact CE1-CD2 4.47Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 2.96Å; F67-L123 HydrophobicContact CD2-CD2 4.06Å; F67-L123 HydrophobicContact CE2-CD2 3.62Å; F67-L123 HydrophobicContact CZ-CD2 3.9Å; F67-Y134 HydrophobicContact CE2-CD1 4.44Å; F67-Y134 HydrophobicContact CE2-CD2 4.12Å; F67-Y134 AromaticContact CE2-CG 3.88Å; F67-Y134 HydrophobicContact CE2-CG 3.88Å; F67-L136 HydrophobicContact CE1-CD1 4.09Å; F67-L136 HydrophobicContact CE1-CD2 4.2Å; F67-L136 HydrophobicContact CZ-CD1 4.04Å; F67-L136 HydrophobicContact CZ-CD2 4.01Å; F67-L136 HydrophobicContact CZ-CG 4.24Å
68C95.3Very high94.9Very high1 Ų149.7 Ų49.71%0.00727%0.273CS..Hα-helixtrans-61.8-41.9176.9-59.40000111.9L24 F64 I66 M70 L71 E72L24-C68 HydrophobicContact CD1-CB 4.01Å; L24-C68 HydrophobicContact CD2-CB 4.26Å; F64-C68 VanDerWaalsContact CE2-SG 3.6Å; F64-C68 VanDerWaalsContact CZ-SG 3.57Å; F64-C68 PolarHBondContact O-N 2.93Å; F64-C68 PolarHBondContact O-SG 3.38Å; I66-C68 PolarHBondContact O-N 2.66Å; C68-M70 PolarHBondContact O-N 3.32Å; C68-L71 PolarHBondContact O-N 3.4Å; C68-E72 WeakPolarHBondContact O-CB 3.41Å; C68-E72 PolarHBondContact O-N 2.89Å
69S94.6Very high94.9Very high49 Ų4949.5 Ų49.534%0.34327%0.273SS..Hα-helixtrans-67.2-36.1177.2-54.70000112.4P65 I66 F67 S73P65-S69 WeakPolarHBondContact O-CB 3.45Å; P65-S69 PolarHBondContact O-N 3.5Å; P65-S69 PolarHBondContact O-OG 2.99Å; I66-S69 PolarHBondContact O-N 3.01Å; F67-S69 VanDerWaalsContact C-N 3.34Å; F67-S69 PolarHBondContact O-N 3.48Å; S69-S73 WeakPolarHBondContact O-CB 3.48Å; S69-S73 PolarHBondContact O-N 3.32Å; S69-S73 PolarHBondContact O-OG 3.22Å
70M95.3Very high94.9Very high19 Ų1953.5 Ų53.59%0.09428%0.278CS..Hα-helixtrans-63.6-43.9172.3-73.6173.563.200111.2K62 I66 F67 C68 S73 A74 V82 L123 Y125 Y134K62-M70 HydrophobicContact CD-SD 3.7Å; K62-M70 VanDerWaalsContact CE-SD 3.6Å; K62-M70 HydrophobicContact CG-SD 4.03Å; I66-M70 HydrophobicContact CG2-CG 4.4Å; I66-M70 HydrophobicContact CG2-SD 4.13Å; I66-M70 VanDerWaalsContact O-CG 3.28Å; I66-M70 WeakPolarHBondContact O-CG 3.45Å; I66-M70 PolarHBondContact O-N 2.95Å; F67-M70 WeakPolarHBondContact O-CB 3.37Å; F67-M70 PolarHBondContact O-N 3.35Å; C68-M70 PolarHBondContact O-N 3.32Å; M70-S73 PolarHBondContact O-N 3.07Å; M70-A74 WeakPolarHBondContact O-CB 3.31Å; M70-A74 PolarHBondContact O-N 2.91Å; M70-V82 HydrophobicContact CB-CG1 4.21Å; M70-V82 HydrophobicContact CE-CG1 3.75Å; M70-V82 HydrophobicContact CG-CG1 4.4Å; M70-L123 HydrophobicContact CB-CD2 4.1Å; M70-L123 HydrophobicContact CE-CD2 4.31Å; M70-Y125 HydrophobicContact CE-CD1 4.12Å; M70-Y125 HydrophobicContact CE-CD2 3.5Å; M70-Y125 HydrophobicContact CE-CE2 4.09Å; M70-Y125 HydrophobicContact CE-CG 3.53Å; M70-Y134 HydrophobicContact CE-CE2 4.4Å
71L95.9Very high94.9Very high0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-66.2-44.3179.1-175.163.3000111.5I22 L29 V31 F67 C68 S73 A74 V75 L84 L121 L123 L136I22-L71 HydrophobicContact CD1-CD1 4.38Å; I22-L71 HydrophobicContact CD1-CD2 3.93Å; I22-L71 HydrophobicContact CD1-CG 3.61Å; I22-L71 HydrophobicContact CG1-CD2 4.34Å; I22-L71 HydrophobicContact CG2-CD2 4.4Å; L29-L71 HydrophobicContact CD1-CD2 4.12Å; L29-L71 HydrophobicContact CD2-CD2 3.96Å; V31-L71 HydrophobicContact CG2-CD2 4.02Å; F67-L71 HydrophobicContact CE1-CD2 4.47Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 2.96Å; C68-L71 PolarHBondContact O-N 3.4Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 2.95Å; L71-A74 PolarHBondContact O-N 3.41Å; L71-V75 PolarHBondContact O-N 2.98Å; L71-L84 HydrophobicContact CD1-CD2 3.71Å; L71-L121 HydrophobicContact CD1-CD2 4.27Å; L71-L123 HydrophobicContact CD1-CD1 4.39Å; L71-L136 HydrophobicContact CD2-CD1 4.25Å
72E94.8Very high94.9Very high27 Ų2750.8 Ų50.813%0.12627%0.272CS..Hα-helixtrans-55.7-47.5173-176.2-172.3172.100111.1M1 L7 C68 A74 V75 R76M1-E72 WeakPolarHBondContact CA-OE2 3.48Å; M1-E72 WeakPolarHBondContact CB-OE2 3.31Å; M1-E72 WeakPolarHBondContact CG-OE2 3.25Å; M1-E72 PolarHBondContact N-OE2 3.4Å; M1-E72 HydrophobicContact SD-CB 4.21Å; M1-E72 HydrophobicContact SD-CG 4.44Å; L7-E72 HydrophobicContact CD1-CG 4.48Å; C68-E72 WeakPolarHBondContact O-CB 3.41Å; C68-E72 PolarHBondContact O-N 2.89Å; E72-A74 VanDerWaalsContact C-N 3.31Å; E72-A74 PolarHBondContact O-N 3.28Å; E72-V75 PolarHBondContact O-N 2.94Å; E72-R76 PolarHBondContact O-N 3.44Å; E72-R76 IonicContact OE1-CZ 2.76Å; E72-R76 IonicContact OE1-NH1 2.85Å; E72-R76 PolarHBondContact OE1-NH1 3.36Å; E72-R76 IonicContact OE1-NH2 3.79Å; E72-R76 PolarHBondContact OE1-NH2 3.12Å
73S95.3Very high94.8Very high35 Ų3552.3 Ų52.325%0.24528%0.284CS..Hα-helixtrans-65.5-35.1178.6-56.10000112.5S69 M70 L71 K77 T78S69-S73 WeakPolarHBondContact O-CB 3.48Å; S69-S73 PolarHBondContact O-N 3.32Å; S69-S73 PolarHBondContact O-OG 3.22Å; M70-S73 PolarHBondContact O-N 3.07Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 2.95Å; S73-K77 WeakPolarHBondContact O-CA 3.43Å; S73-K77 PolarHBondContact O-N 2.9Å; S73-T78 WeakPolarHBondContact CA-OG1 3.34Å; S73-T78 WeakPolarHBondContact CB-OG1 3.3Å; S73-T78 PolarHBondContact O-N 3.13Å; S73-T78 PolarHBondContact O-OG1 3.2Å
74A95.5Very high94.8Very high5 Ų548.5 Ų48.54%0.04127%0.267CS..Hα-helixtrans-70.5-36.217800000111.9M70 L71 E72 K77 V82 L84 L123M70-A74 WeakPolarHBondContact O-CB 3.31Å; M70-A74 PolarHBondContact O-N 2.91Å; L71-A74 PolarHBondContact O-N 3.41Å; E72-A74 VanDerWaalsContact C-N 3.31Å; E72-A74 PolarHBondContact O-N 3.28Å; A74-K77 PolarHBondContact O-N 3.06Å; A74-V82 HydrophobicContact CB-CB 3.96Å; A74-V82 HydrophobicContact CB-CG2 3.84Å; A74-L84 HydrophobicContact CB-CD1 4.03Å; A74-L84 HydrophobicContact CB-CD2 4.1Å; A74-L84 HydrophobicContact CB-CG 3.75Å; A74-L123 HydrophobicContact CB-CD1 3.69Å
75V94.4Very high94.8Very high3 Ų350 Ų502%0.01828%0.275CS..Hα-helixtrans-70.7-44.1175.2175.30000111.3L7 E9 I11 V20 I22 L71 E72 K77 L84L7-V75 HydrophobicContact CD2-CB 3.8Å; L7-V75 HydrophobicContact CD2-CG1 3.25Å; E9-V75 HydrophobicContact CB-CG1 3.58Å; E9-V75 HydrophobicContact CG-CG1 3.73Å; I11-V75 HydrophobicContact CD1-CB 4.26Å; I11-V75 HydrophobicContact CD1-CG1 3.98Å; I11-V75 HydrophobicContact CD1-CG2 4.18Å; V20-V75 HydrophobicContact CG1-CG2 3.97Å; I22-V75 HydrophobicContact CD1-CB 3.99Å; I22-V75 HydrophobicContact CD1-CG2 3.25Å; I22-V75 HydrophobicContact CG1-CG2 4.28Å; L71-V75 PolarHBondContact O-N 2.98Å; E72-V75 PolarHBondContact O-N 2.94Å; V75-K77 PolarHBondContact O-N 3.41Å; V75-L84 HydrophobicContact CB-CD1 4.35Å; V75-L84 HydrophobicContact CG2-CD1 3.37Å
76R93.5Very high94.9Very high124 Ų12446.4 Ų46.447%0.46825%0.252SS..THydrogen-bonded Turntrans-70.9-9.8174-68.1-173.6173.6142.39.3114.2L7 E72 T78L7-R76 HydrophobicContact CD1-CG 3.67Å; L7-R76 VanDerWaalsContact CD1-NH2 3.35Å; E72-R76 PolarHBondContact O-N 3.44Å; E72-R76 IonicContact OE1-CZ 2.76Å; E72-R76 IonicContact OE1-NH1 2.85Å; E72-R76 PolarHBondContact OE1-NH1 3.36Å; E72-R76 IonicContact OE1-NH2 3.79Å; E72-R76 PolarHBondContact OE1-NH2 3.12Å; R76-T78 HydrophobicContact CB-CG2 3.64Å; R76-T78 PolarHBondContact O-N 3.45Å
77K92.5Very high94.8Very high136 Ų13643.2 Ų43.259%0.59124%0.235SC*.THydrogen-bonded Turntrans52.638.1-172.8-58.3169.4-175156.90112.5S73 A74 V75S73-K77 WeakPolarHBondContact O-CA 3.43Å; S73-K77 PolarHBondContact O-N 2.9Å; A74-K77 PolarHBondContact O-N 3.06Å; V75-K77 PolarHBondContact O-N 3.41Å
78T93.4Very high94.6Very high96 Ų9644.8 Ų44.859%0.58925%0.245SC*.  trans-88.5-8.6-179.252.30000113.5S73 R76S73-T78 WeakPolarHBondContact CA-OG1 3.34Å; S73-T78 WeakPolarHBondContact CB-OG1 3.3Å; S73-T78 PolarHBondContact O-N 3.13Å; S73-T78 PolarHBondContact O-OG1 3.2Å; R76-T78 HydrophobicContact CB-CG2 3.64Å; R76-T78 PolarHBondContact O-N 3.45Å
79S93.7Very high94.3Very high44 Ų4447.7 Ų47.731%0.30826%0.256SS..  trans-138.1127.8-177.9-178.70000111.2S81 V82S79-S81 PolarHBondContact O-N 3.07Å; S79-V82 PolarHBondContact O-N 3.2Å; S79-V82 VanDerWaalsContact O-O 3.11Å
80D93.3Very high94Very high156 Ų15648 Ų4883%0.83426%0.261SS*.THydrogen-bonded Turntrans-72.8-18.1179.6-61.2-26.1000113.3V82D80-V82 VanDerWaalsContact C-N 3.25Å; D80-V82 PolarHBondContact O-N 3.45Å
81S93.9Very high93.7Very high55 Ų5548.5 Ų48.539%0.38527%0.265SS..THydrogen-bonded Turntrans-77.3-11.9-179.1-570000112.9S79 Y125 T126S79-S81 PolarHBondContact O-N 3.07Å; S81-Y125 WeakPolarHBondContact O-CA 3.17Å; S81-Y125 WeakPolarHBondContact O-CD2 3.42Å; S81-T126 PolarHBondContact O-N 3.46Å; S81-T126 PolarHBondContact O-OG1 2.68Å
82V96.5Very high93.2Very high8 Ų851 Ų515%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-130.4130-178.6-70.80000110.7M70 A74 S79 D80 L123 I124 Y125M70-V82 HydrophobicContact CB-CG1 4.21Å; M70-V82 HydrophobicContact CE-CG1 3.75Å; M70-V82 HydrophobicContact CG-CG1 4.4Å; A74-V82 HydrophobicContact CB-CB 3.96Å; A74-V82 HydrophobicContact CB-CG2 3.84Å; S79-V82 PolarHBondContact O-N 3.2Å; S79-V82 VanDerWaalsContact O-O 3.11Å; D80-V82 VanDerWaalsContact C-N 3.25Å; D80-V82 PolarHBondContact O-N 3.45Å; V82-L123 HydrophobicContact CB-CD1 4.19Å; V82-L123 HydrophobicContact CG1-CD1 4.45Å; V82-I124 CarbonylContact C-O 3.56Å; V82-I124 WeakPolarHBondContact CA-O 3.32Å; V82-Y125 HydrophobicContact CG1-CD2 3.8Å
83T95.6Very high92.7Very high63 Ų6353.1 Ų53.139%0.38729%0.287SS..EExtended strand (participates in β ladder)trans-135.2159.8177.353.90000110.3I124T83-I124 PolarHBondContact N-O 3.16Å; T83-I124 PolarHBondContact O-N 2.85Å; T83-I124 WeakPolarHBondContact OG1-CB 3.36Å
84L96.4Very high92.2Very high28 Ų2856.5 Ų56.515%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-114.4141.9178.4-64.9171.2000110.8I11 F13 L71 A74 V75 L121 I122 L123I11-L84 HydrophobicContact CD1-CD1 4Å; F13-L84 HydrophobicContact CE1-CB 3.76Å; F13-L84 HydrophobicContact CZ-CB 4.1Å; L71-L84 HydrophobicContact CD1-CD2 3.71Å; A74-L84 HydrophobicContact CB-CD1 4.03Å; A74-L84 HydrophobicContact CB-CD2 4.1Å; A74-L84 HydrophobicContact CB-CG 3.75Å; V75-L84 HydrophobicContact CB-CD1 4.35Å; V75-L84 HydrophobicContact CG2-CD1 3.37Å; L84-L121 HydrophobicContact CB-CD1 4.28Å; L84-L121 HydrophobicContact CD2-CD1 4.14Å; L84-L121 HydrophobicContact CD2-CD2 4.47Å; L84-L121 HydrophobicContact CD2-CG 4.27Å; L84-I122 WeakPolarHBondContact CA-O 3.29Å; L84-L123 HydrophobicContact CD2-CB 4.23Å; L84-L123 HydrophobicContact CD2-CD1 3.86Å
85D95.8Very high91.7Very high41 Ų4160.2 Ų60.222%0.21932%0.321CS..EExtended strand (participates in β ladder)trans-133.6151.8167.5-168.813.8000109.1R14 L87 I122 I124R14-D85 IonicContact NE-OD1 2.91Å; R14-D85 IonicContact NH2-OD2 3.75Å; D85-L87 WeakPolarHBondContact OD2-CD2 3.38Å; D85-I122 HydrophobicContact CB-CB 4.37Å; D85-I122 PolarHBondContact N-O 2.83Å; D85-I122 VanDerWaalsContact N-O 3.07Å; D85-I122 PolarHBondContact O-N 2.98Å; D85-I124 HydrophobicContact CB-CD1 3.97Å
86L95.3Very high91.2Very high10 Ų1066.6 Ų66.65%0.05235%0.345CS..EExtended strand (participates in β ladder)trans-121117.1179.8-172.864.5000109.2F13 F18 I33 R119 L121F13-L86 HydrophobicContact CB-CB 3.86Å; F13-L86 HydrophobicContact CD1-CB 3.79Å; F13-L86 HydrophobicContact CD2-CB 3.67Å; F13-L86 HydrophobicContact CD2-CD2 3.86Å; F13-L86 HydrophobicContact CD2-CG 4.4Å; F13-L86 HydrophobicContact CE1-CB 4.24Å; F13-L86 HydrophobicContact CE2-CB 4.14Å; F13-L86 HydrophobicContact CE2-CD2 4.35Å; F13-L86 HydrophobicContact CG-CB 3.48Å; F13-L86 VanDerWaalsContact CG-CB 3.48Å; F13-L86 HydrophobicContact CG-CD2 4.4Å; F13-L86 HydrophobicContact CZ-CB 4.4Å; F18-L86 HydrophobicContact CD1-CD2 4.13Å; F18-L86 HydrophobicContact CD2-CD2 4.18Å; F18-L86 HydrophobicContact CE1-CD2 4.09Å; F18-L86 HydrophobicContact CE2-CD2 4.08Å; F18-L86 HydrophobicContact CG-CD2 4.18Å; F18-L86 HydrophobicContact CZ-CD2 4.06Å; I33-L86 HydrophobicContact CD1-CD1 3.54Å; I33-L86 HydrophobicContact CD1-CD2 4.34Å; I33-L86 HydrophobicContact CG2-CD2 4.08Å; L86-R119 HydrophobicContact CD1-CB 3.88Å; L86-L121 HydrophobicContact CD1-CB 4.37Å; L86-L121 HydrophobicContact CD1-CD1 4.48Å
87L93.8Very high90.6Very high7 Ų763.1 Ų63.14%0.03734%0.336CS..EExtended strand (participates in β ladder)trans-114.5145-174.4-60-174.3000112.2D85 D91 L92 L95 R119 Y120 I122D85-L87 WeakPolarHBondContact OD2-CD2 3.38Å; L87-D91 HydrophobicContact CB-CB 4.21Å; L87-D91 HydrophobicContact CD2-CB 4.12Å; L87-L92 HydrophobicContact CB-CD2 4.42Å; L87-L92 HydrophobicContact CB-CG 4.4Å; L87-L92 HydrophobicContact CD1-CD2 3.67Å; L87-L92 HydrophobicContact CD1-CG 4.45Å; L87-L95 HydrophobicContact CD1-CD1 3.72Å; L87-R119 CarbonylContact O-C 3.58Å; L87-R119 WeakPolarHBondContact O-CA 3.12Å; L87-Y120 PolarHBondContact N-O 2.91Å; L87-Y120 PolarHBondContact O-N 3.29Å; L87-I122 HydrophobicContact CB-CG1 4.46Å; L87-I122 HydrophobicContact CD1-CD1 4.11Å; L87-I122 HydrophobicContact CD1-CG1 3.71Å; L87-I122 HydrophobicContact CG-CD1 4.43Å; L87-I122 HydrophobicContact CG-CG1 3.81Å
88T92.5Very high90.1Very high34 Ų3467 Ų6721%0.20935%0.346CS..EExtended strand (participates in β ladder)trans-86.8165.616773.90000110.7A90 D91 L92T88-A90 VanDerWaalsContact C-N 3.25Å; T88-A90 PolarHBondContact O-N 3.38Å; T88-A90 PolarHBondContact OG1-N 3.5Å; T88-D91 WeakPolarHBondContact CB-OD2 3.09Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.34Å; T88-D91 PolarHBondContact N-OD2 3.31Å; T88-D91 WeakPolarHBondContact O-CB 3.38Å; T88-D91 PolarHBondContact O-N 2.8Å; T88-D91 VanDerWaalsContact OG1-CG 3.31Å; T88-D91 PolarHBondContact OG1-N 2.93Å; T88-D91 VanDerWaalsContact OG1-N 3.16Å; T88-D91 PolarHBondContact OG1-OD2 3.47Å; T88-L92 PolarHBondContact O-N 3Å; T88-L92 VanDerWaalsContact O-N 3.15Å
89Y88.4Confident89.4Confident62 Ų6271.9 Ų71.924%0.24336%0.359CS..Hα-helixtrans-58.1-39.5172.9-175.4-100.2000112.3D91 L92 E93 L115 Y120Y89-D91 VanDerWaalsContact C-N 3.35Å; Y89-D91 PolarHBondContact O-N 3.31Å; Y89-L92 PolarHBondContact O-N 3.38Å; Y89-E93 HydrophobicContact CD1-CG 4.2Å; Y89-E93 HydrophobicContact CE1-CG 3.8Å; Y89-E93 WeakPolarHBondContact CE1-OE1 3.35Å; Y89-E93 PolarHBondContact O-N 2.88Å; Y89-E93 PolarHBondContact OH-OE1 2.97Å; Y89-L115 HydrophobicContact CD2-CB 4.47Å; Y89-Y120 HydrophobicContact CD2-CE2 4.37Å
90A87.4Confident88.1Confident54 Ų5472.7 Ų72.745%0.44637%0.369SS..Hα-helixtrans-63.1-39.9176.900000112T88 L92 E93 L94T88-A90 VanDerWaalsContact C-N 3.25Å; T88-A90 PolarHBondContact O-N 3.38Å; T88-A90 PolarHBondContact OG1-N 3.5Å; A90-L92 VanDerWaalsContact C-N 3.33Å; A90-L92 PolarHBondContact O-N 3.38Å; A90-E93 PolarHBondContact O-N 3.48Å; A90-L94 WeakPolarHBondContact O-CG 3.25Å; A90-L94 PolarHBondContact O-N 3.1Å
91D89.9Confident86.6Confident31 Ų3168.6 Ų68.617%0.16636%0.364CS..Hα-helixtrans-61.7-41175-67.5-63.1000112R14 L87 T88 Y89 L94 L95R14-D91 IonicContact CZ-OD1 3.76Å; R14-D91 IonicContact NH1-OD1 3.73Å; R14-D91 PolarHBondContact NH1-OD1 3.27Å; R14-D91 IonicContact NH1-OD2 2.63Å; L87-D91 HydrophobicContact CB-CB 4.21Å; L87-D91 HydrophobicContact CD2-CB 4.12Å; T88-D91 WeakPolarHBondContact CB-OD2 3.09Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.34Å; T88-D91 PolarHBondContact N-OD2 3.31Å; T88-D91 WeakPolarHBondContact O-CB 3.38Å; T88-D91 PolarHBondContact O-N 2.8Å; T88-D91 VanDerWaalsContact OG1-CG 3.31Å; T88-D91 PolarHBondContact OG1-N 2.93Å; T88-D91 VanDerWaalsContact OG1-N 3.16Å; T88-D91 PolarHBondContact OG1-OD2 3.47Å; Y89-D91 VanDerWaalsContact C-N 3.35Å; Y89-D91 PolarHBondContact O-N 3.31Å; D91-L94 PolarHBondContact O-N 3.43Å; D91-L95 WeakPolarHBondContact O-CB 3.4Å; D91-L95 WeakPolarHBondContact O-CG 3.13Å; D91-L95 PolarHBondContact O-N 2.89Å
92L85.5Confident84.7Confident51 Ų5170.1 Ų70.127%0.26737%0.371SS..Hα-helixtrans-64.5-40.3176.5-71.4179.2000112L87 T88 Y89 A90 L95 R96 Y120L87-L92 HydrophobicContact CB-CD2 4.42Å; L87-L92 HydrophobicContact CB-CG 4.4Å; L87-L92 HydrophobicContact CD1-CD2 3.67Å; L87-L92 HydrophobicContact CD1-CG 4.45Å; T88-L92 PolarHBondContact O-N 3Å; T88-L92 VanDerWaalsContact O-N 3.15Å; Y89-L92 PolarHBondContact O-N 3.38Å; A90-L92 VanDerWaalsContact C-N 3.33Å; A90-L92 PolarHBondContact O-N 3.38Å; L92-L95 PolarHBondContact O-N 3.14Å; L92-R96 WeakPolarHBondContact O-CB 3.44Å; L92-R96 PolarHBondContact O-N 3.49Å; L92-Y120 HydrophobicContact CD1-CD1 3.84Å; L92-Y120 HydrophobicContact CD1-CD2 3.36Å; L92-Y120 HydrophobicContact CD1-CE1 3.95Å; L92-Y120 HydrophobicContact CD1-CE2 3.52Å; L92-Y120 HydrophobicContact CD1-CG 3.53Å; L92-Y120 HydrophobicContact CG-CD2 4.34Å
93E84.3Confident82.7Confident72 Ų7276.7 Ų76.734%0.33641%0.41SS..Hα-helixtrans-63.8-42.3174.3-70.6-165.8142.300111.7Y89 A90 R96 N97Y89-E93 HydrophobicContact CD1-CG 4.2Å; Y89-E93 HydrophobicContact CE1-CG 3.8Å; Y89-E93 WeakPolarHBondContact CE1-OE1 3.35Å; Y89-E93 PolarHBondContact O-N 2.88Å; Y89-E93 PolarHBondContact OH-OE1 2.97Å; A90-E93 PolarHBondContact O-N 3.48Å; E93-R96 PolarHBondContact O-N 3.17Å; E93-N97 WeakPolarHBondContact O-CB 3.47Å; E93-N97 PolarHBondContact O-N 3.03Å; E93-N97 PolarHBondContact O-ND2 2.8Å; E93-N97 PolarHBondContact O-OD1 3.38Å
94L85.3Confident80.7Confident106 Ų10676.4 Ų76.456%0.55541%0.411SS*.Hα-helixtrans-61.9-45.3175.2-71.4173.8000111.6A90 D91 R96 N97 R98A90-L94 WeakPolarHBondContact O-CG 3.25Å; A90-L94 PolarHBondContact O-N 3.1Å; D91-L94 PolarHBondContact O-N 3.43Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 2.91Å; L94-N97 PolarHBondContact O-N 3.09Å; L94-R98 WeakPolarHBondContact O-CB 3.3Å; L94-R98 VanDerWaalsContact O-CG 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.35Å; L94-R98 PolarHBondContact O-N 2.73Å
95L84.4Confident78.6Confident83 Ų8386.3 Ų86.344%0.43545%0.447SS..Hα-helixtrans-62.9-40.2176.4-74.4172.3000111.7L87 D91 L92 R98 K99L87-L95 HydrophobicContact CD1-CD1 3.72Å; D91-L95 WeakPolarHBondContact O-CB 3.4Å; D91-L95 WeakPolarHBondContact O-CG 3.13Å; D91-L95 PolarHBondContact O-N 2.89Å; L92-L95 PolarHBondContact O-N 3.14Å; L95-R98 PolarHBondContact O-N 2.9Å; L95-K99 VanDerWaalsContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CB 2.99Å; L95-K99 PolarHBondContact O-N 3.43Å
96R83.4Confident76.5Confident137 Ų13789.6 Ų89.652%0.51747%0.47SS..Hα-helixtrans-62.7-46.9175.4-168.1-17377.8-172.30.4111.3L92 E93 L94 R98 K99 A100L92-R96 WeakPolarHBondContact O-CB 3.44Å; L92-R96 PolarHBondContact O-N 3.49Å; E93-R96 PolarHBondContact O-N 3.17Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 2.91Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 3.44Å; R96-K99 PolarHBondContact O-N 3.48Å; R96-A100 VanDerWaalsContact O-CB 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.21Å; R96-A100 PolarHBondContact O-N 3.48Å
97N82.1Confident74.6Confident52 Ų52100.2 Ų100.228%0.27851%0.51SS..Hα-helixtrans-66.3-36.4-178.4-65.5-17.9000111.5E93 L94 G101E93-N97 WeakPolarHBondContact O-CB 3.47Å; E93-N97 PolarHBondContact O-N 3.03Å; E93-N97 PolarHBondContact O-ND2 2.8Å; E93-N97 PolarHBondContact O-OD1 3.38Å; L94-N97 PolarHBondContact O-N 3.09Å; N97-G101 PolarHBondContact O-N 3.41Å; N97-G101 VanDerWaalsContact O-N 3.16Å
98R82.2Confident72.3Confident216 Ų216103.4 Ų103.482%0.81554%0.544SS*.Hα-helixtrans-67.1-41.8172.7-71.3178.4113.1-179.53.3112.4L94 L95 R96L94-R98 WeakPolarHBondContact O-CB 3.3Å; L94-R98 VanDerWaalsContact O-CG 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.35Å; L94-R98 PolarHBondContact O-N 2.73Å; L95-R98 PolarHBondContact O-N 2.9Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 3.44Å
99K77.6Confident70.5Confident199 Ų199107.5 Ų107.587%0.86556%0.56SS**Hα-helixtrans-75.4-28.7-178.3-160.3172.7-176.3-179.90113.1L95 R96L95-K99 VanDerWaalsContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CB 2.99Å; L95-K99 PolarHBondContact O-N 3.43Å; R96-K99 PolarHBondContact O-N 3.48Å
100A67.3Low68.7Low61 Ų61113.7 Ų113.750%0.50459%0.591SS.*Hα-helixtrans-92.4-11.6-179.700000114.1R96 V102R96-A100 VanDerWaalsContact O-CB 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.21Å; R96-A100 PolarHBondContact O-N 3.48Å; A100-V102 WeakPolarHBondContact O-CG2 3.28Å; A100-V102 PolarHBondContact O-N 3.24Å
101G60.6Low67Low71 Ų71119.1 Ų119.173%0.73261%0.607SS**  trans62.54.3-179.600000115.3N97N97-G101 PolarHBondContact O-N 3.41Å; N97-G101 VanDerWaalsContact O-N 3.16Å
102V55.4Low65.4Low87 Ų87120.9 Ų120.953%0.52762%0.615SS.*  trans-114.3116.2-174.9175.60000108.8A100 S104A100-V102 WeakPolarHBondContact O-CG2 3.28Å; A100-V102 PolarHBondContact O-N 3.24Å; V102-S104 VanDerWaalsContact C-N 3.28Å; V102-S104 PolarHBondContact O-N 2.71Å
103V54.1Low64.3Low145 Ų145123.1 Ų123.188%0.87964%0.635SS**  trans-6889.2167.8-176.70000107.5
104S52.6Low63.3Low58 Ų58123 Ų12341%0.40665%0.646SS.*PPolyproline II helixtrans-73.7128.2174.7-61.90000109.1V102V102-S104 VanDerWaalsContact C-N 3.28Å; V102-S104 PolarHBondContact O-N 2.71Å
105R52.2Low62.5Low236 Ų236120.6 Ų120.689%0.89163%0.633SS**PPolyproline II helixtrans-54.5144173.9-103.4179.7174.3175.4-2.3110.9R107R105-R107 PolarHBondContact O-N 2.93Å
106P51.5Low62Low110 Ų110120 Ų12071%0.71463%0.633SS**PPolyproline II helixtrans-64.1119.9177.7-8.622.9000109.1
107R55.7Low62.1Low233 Ų233115 Ų11588%0.87962%0.621SS**PPolyproline II helixtrans-72.3142.5167-110.9-177.5174.4-175.5-2108.7R105R105-R107 PolarHBondContact O-N 2.93Å
108G46.9Very low62.6Low73 Ų73115.6 Ų115.675%0.75362%0.621SS**PPolyproline II helixtrans-50.8141.6-169.300000115.7Q110G108-Q110 PolarHBondContact O-N 3.48Å
109H54.5Low63.2Low121 Ų121108 Ų10856%0.5659%0.593SS**SBendtrans-89.782.2-167.2-6836.8000112.9Q112H109-Q112 VanDerWaalsContact CD2-CD 3.46Å; H109-Q112 PolarHBondContact CD2-NE2 2.89Å; H109-Q112 PolarHBondContact CD2-OE1 3.49Å; H109-Q112 PolarHBondContact CE1-NE2 3.31Å; H109-Q112 VanDerWaalsContact CE1-NE2 3.29Å; H109-Q112 VanDerWaalsContact CG-CD 3.48Å; H109-Q112 VanDerWaalsContact CG-NE2 3.28Å; H109-Q112 PolarHBondContact ND1-NE2 3.33Å; H109-Q112 PolarHBondContact NE2-NE2 2.86Å; H109-Q112 PolarHBondContact NE2-OE1 3.25Å
110Q49.8Very low64Low191 Ų191100.3 Ų100.389%0.89356%0.559SS**SBendtrans-133.7-11.4167.8-78.7-176-22.600115.4G108G108-Q110 PolarHBondContact O-N 3.48Å
111Q52.6Low65.4Low168 Ų16897.4 Ų97.479%0.78554%0.535SS*.SBendtrans-108.89.2174.7-74.9-169.7-3400114.3
112Q56.2Low67.1Low68 Ų6894.4 Ų94.432%0.31850%0.502SS..Hα-helixtrans-74.6-36.1-165.3-72.7178.1-18.100114.4H109 A114 L115 T116H109-Q112 VanDerWaalsContact CD2-CD 3.46Å; H109-Q112 PolarHBondContact CD2-NE2 2.89Å; H109-Q112 PolarHBondContact CD2-OE1 3.49Å; H109-Q112 PolarHBondContact CE1-NE2 3.31Å; H109-Q112 VanDerWaalsContact CE1-NE2 3.29Å; H109-Q112 VanDerWaalsContact CG-CD 3.48Å; H109-Q112 VanDerWaalsContact CG-NE2 3.28Å; H109-Q112 PolarHBondContact ND1-NE2 3.33Å; H109-Q112 PolarHBondContact NE2-NE2 2.86Å; H109-Q112 PolarHBondContact NE2-OE1 3.25Å; Q112-A114 PolarHBondContact O-N 3.03Å; Q112-L115 PolarHBondContact O-N 3Å; Q112-T116 HydrophobicContact CB-CG2 4.29Å; Q112-T116 WeakPolarHBondContact O-CB 3.26Å; Q112-T116 VanDerWaalsContact O-CG2 3.28Å; Q112-T116 WeakPolarHBondContact O-CG2 3.49Å; Q112-T116 PolarHBondContact O-N 3.29Å; Q112-T116 PolarHBondContact O-OG1 2.55Å
113S61.4Low69.1Low99 Ų9990.3 Ų90.369%0.69248%0.477SS*.Hα-helixtrans-58.7-44.4-17057.50000113.7L115 T116 A117S113-L115 VanDerWaalsContact C-N 3.33Å; S113-L115 PolarHBondContact O-N 3.32Å; S113-T116 WeakPolarHBondContact CA-OG1 3.28Å; S113-T116 PolarHBondContact O-OG1 2.76Å; S113-A117 PolarHBondContact O-N 2.85Å
114A64.1Low71.1Confident69 Ų6983.8 Ų83.857%0.5744%0.437SS*.Hα-helixtrans-73-23.2179.100000113.4Q112 K118Q112-A114 PolarHBondContact O-N 3.03Å; A114-K118 WeakPolarHBondContact O-CG 3.5Å
115L67.7Low73.2Confident55 Ų5583.3 Ų83.329%0.28843%0.427SS..Hα-helixtrans-87.4-36.7176.6-65.3178.3000111.9Y89 Q112 S113 A117 K118Y89-L115 HydrophobicContact CD2-CB 4.47Å; Q112-L115 PolarHBondContact O-N 3Å; S113-L115 VanDerWaalsContact C-N 3.33Å; S113-L115 PolarHBondContact O-N 3.32Å; L115-A117 VanDerWaalsContact C-N 3.27Å; L115-A117 PolarHBondContact O-N 3.46Å; L115-K118 HydrophobicContact CD2-CD 4.28Å; L115-K118 WeakPolarHBondContact O-CB 3.2Å; L115-K118 PolarHBondContact O-N 3.35Å
116T75.2Confident75.3Confident70 Ų7074.3 Ų74.343%0.42940%0.398SS..Hα-helixtrans-68.7-28.3178.851.50000112.5Q112 S113 K118Q112-T116 HydrophobicContact CB-CG2 4.29Å; Q112-T116 WeakPolarHBondContact O-CB 3.26Å; Q112-T116 VanDerWaalsContact O-CG2 3.28Å; Q112-T116 WeakPolarHBondContact O-CG2 3.49Å; Q112-T116 PolarHBondContact O-N 3.29Å; Q112-T116 PolarHBondContact O-OG1 2.55Å; S113-T116 WeakPolarHBondContact CA-OG1 3.28Å; S113-T116 PolarHBondContact O-OG1 2.76Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.29Å
117A85.4Confident77.2Confident33 Ų3372.3 Ų72.327%0.27338%0.384SS..THydrogen-bonded Turntrans-71.8-20.7175.200000112.7W42 S113 L115 Y140W42-A117 PolarHBondContact NE1-O 3.41Å; S113-A117 PolarHBondContact O-N 2.85Å; L115-A117 VanDerWaalsContact C-N 3.27Å; L115-A117 PolarHBondContact O-N 3.46Å; A117-Y140 HydrophobicContact CB-CD1 4.4Å; A117-Y140 HydrophobicContact CB-CG 4.38Å
118K91.5Very high78.8Confident64 Ų6469.4 Ų69.428%0.27838%0.38SS..  trans-70146.4-179-63.1-178.5-178.9-176.40111.4A114 L115 T116 Y120A114-K118 WeakPolarHBondContact O-CG 3.5Å; L115-K118 HydrophobicContact CD2-CD 4.28Å; L115-K118 WeakPolarHBondContact O-CB 3.2Å; L115-K118 PolarHBondContact O-N 3.35Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.29Å; K118-Y120 HydrophobicContact CB-CE2 4.22Å
119R94.3Very high80.9Confident57 Ų5774.6 Ų74.622%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-110.5154.9166-67-68.9-172.8-116.98.3109.4W42 L86 L87 L138W42-R119 HydrophobicContact CB-CB 4.5Å; W42-R119 HydrophobicContact CD2-CB 4.31Å; W42-R119 HydrophobicContact CD2-CG 3.55Å; W42-R119 HydrophobicContact CE3-CG 4.22Å; W42-R119 HydrophobicContact CG-CB 4.02Å; W42-R119 HydrophobicContact CG-CG 3.73Å; W42-R119 HydrophobicContact CZ2-CG 3.93Å; L86-R119 HydrophobicContact CD1-CB 3.88Å; L87-R119 CarbonylContact O-C 3.58Å; L87-R119 WeakPolarHBondContact O-CA 3.12Å; R119-L138 PolarHBondContact N-O 2.89Å; R119-L138 PolarHBondContact O-N 3.42Å
120Y95.3Very high82.7Confident38 Ų3873.5 Ų73.515%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-124.8108176.3-63.9-97.2000107.7L87 Y89 L92 K118 L136 P137L87-Y120 PolarHBondContact N-O 2.91Å; L87-Y120 PolarHBondContact O-N 3.29Å; Y89-Y120 HydrophobicContact CD2-CE2 4.37Å; L92-Y120 HydrophobicContact CD1-CD1 3.84Å; L92-Y120 HydrophobicContact CD1-CD2 3.36Å; L92-Y120 HydrophobicContact CD1-CE1 3.95Å; L92-Y120 HydrophobicContact CD1-CE2 3.52Å; L92-Y120 HydrophobicContact CD1-CG 3.53Å; L92-Y120 HydrophobicContact CG-CD2 4.34Å; K118-Y120 HydrophobicContact CB-CE2 4.22Å; Y120-L136 CarbonylContact C-O 3.57Å; Y120-L136 WeakPolarHBondContact CA-O 3.13Å; Y120-P137 HydrophobicContact CD1-CB 3.98Å; Y120-P137 HydrophobicContact CE1-CB 3.82Å
121L96.7Very high84.8Confident0 Ų072 Ų720%037%0.367CS..EExtended strand (participates in β ladder)trans-77.7121.6170.7-179.167.4000107.8F13 V31 I33 L71 L84 L86 L136 L138F13-L121 HydrophobicContact CE1-CD1 4.46Å; F13-L121 HydrophobicContact CZ-CD1 3.99Å; V31-L121 HydrophobicContact CG1-CD2 3.71Å; I33-L121 HydrophobicContact CD1-CB 4.1Å; I33-L121 HydrophobicContact CD1-CD1 3.97Å; I33-L121 HydrophobicContact CD1-CD2 4.32Å; I33-L121 HydrophobicContact CD1-CG 4.35Å; L71-L121 HydrophobicContact CD1-CD2 4.27Å; L84-L121 HydrophobicContact CB-CD1 4.28Å; L84-L121 HydrophobicContact CD2-CD1 4.14Å; L84-L121 HydrophobicContact CD2-CD2 4.47Å; L84-L121 HydrophobicContact CD2-CG 4.27Å; L86-L121 HydrophobicContact CD1-CB 4.37Å; L86-L121 HydrophobicContact CD1-CD1 4.48Å; L121-L136 HydrophobicContact CB-CB 4.31Å; L121-L136 HydrophobicContact CD2-CD1 4.4Å; L121-L136 PolarHBondContact N-O 2.97Å; L121-L136 WeakPolarHBondContact O-CB 3.31Å; L121-L136 PolarHBondContact O-N 2.99Å; L121-L138 HydrophobicContact CB-CD1 3.88Å
122I96.3Very high86.9Confident8 Ų865 Ų654%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-106.6110.3-176.2-45.4-57.6000108.1L84 D85 L87 I124 H133 P135L84-I122 WeakPolarHBondContact CA-O 3.29Å; D85-I122 HydrophobicContact CB-CB 4.37Å; D85-I122 PolarHBondContact N-O 2.83Å; D85-I122 VanDerWaalsContact N-O 3.07Å; D85-I122 PolarHBondContact O-N 2.98Å; L87-I122 HydrophobicContact CB-CG1 4.46Å; L87-I122 HydrophobicContact CD1-CD1 4.11Å; L87-I122 HydrophobicContact CD1-CG1 3.71Å; L87-I122 HydrophobicContact CG-CD1 4.43Å; L87-I122 HydrophobicContact CG-CG1 3.81Å; I122-I124 HydrophobicContact CB-CG1 4.46Å; I122-I124 HydrophobicContact CG2-CG1 3.89Å; I122-I124 PolarHBondContact O-N 2.92Å; I122-H133 HydrophobicContact CG2-CB 3.78Å; I122-P135 HydrophobicContact CD1-CB 3.69Å
123L97.1Very high88.8Confident0 Ų065.9 Ų65.90%034%0.338CS..EExtended strand (participates in β ladder)trans-79.2113165.2178.567.3000108.5F67 M70 L71 A74 V82 L84 Y134F67-L123 HydrophobicContact CD2-CD2 4.06Å; F67-L123 HydrophobicContact CE2-CD2 3.62Å; F67-L123 HydrophobicContact CZ-CD2 3.9Å; M70-L123 HydrophobicContact CB-CD2 4.1Å; M70-L123 HydrophobicContact CE-CD2 4.31Å; L71-L123 HydrophobicContact CD1-CD1 4.39Å; A74-L123 HydrophobicContact CB-CD1 3.69Å; V82-L123 HydrophobicContact CB-CD1 4.19Å; V82-L123 HydrophobicContact CG1-CD1 4.45Å; L84-L123 HydrophobicContact CD2-CB 4.23Å; L84-L123 HydrophobicContact CD2-CD1 3.86Å; L123-Y134 HydrophobicContact CB-CD2 4.4Å; L123-Y134 HydrophobicContact CD2-CD2 4.23Å; L123-Y134 HydrophobicContact CG-CD2 4.29Å; L123-Y134 PolarHBondContact N-O 3.14Å; L123-Y134 WeakPolarHBondContact O-CD2 3.39Å; L123-Y134 PolarHBondContact O-N 2.7Å
124I96.6Very high90.5Very high8 Ų861.1 Ų61.14%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-99.3112.3-179.7-53.7177.4000107.6V82 T83 D85 I122 T126 R131 I132V82-I124 CarbonylContact C-O 3.56Å; V82-I124 WeakPolarHBondContact CA-O 3.32Å; T83-I124 PolarHBondContact N-O 3.16Å; T83-I124 PolarHBondContact O-N 2.85Å; T83-I124 WeakPolarHBondContact OG1-CB 3.36Å; D85-I124 HydrophobicContact CB-CD1 3.97Å; I122-I124 HydrophobicContact CB-CG1 4.46Å; I122-I124 HydrophobicContact CG2-CG1 3.89Å; I122-I124 PolarHBondContact O-N 2.92Å; I124-T126 HydrophobicContact CG2-CG2 4.23Å; I124-R131 HydrophobicContact CG2-CG 3.91Å; I124-I132 CarbonylContact C-O 3.55Å; I124-I132 WeakPolarHBondContact CA-O 3.35Å
125Y96.8Very high92Very high49 Ų4960.1 Ų60.119%0.19229%0.293CS..EExtended strand (participates in β ladder)trans-101.6113.2175.6179.4-130.4000109.6M70 S81 V82 V127 R131 I132M70-Y125 HydrophobicContact CE-CD1 4.12Å; M70-Y125 HydrophobicContact CE-CD2 3.5Å; M70-Y125 HydrophobicContact CE-CE2 4.09Å; M70-Y125 HydrophobicContact CE-CG 3.53Å; S81-Y125 WeakPolarHBondContact O-CA 3.17Å; S81-Y125 WeakPolarHBondContact O-CD2 3.42Å; V82-Y125 HydrophobicContact CG1-CD2 3.8Å; Y125-V127 HydrophobicContact CD1-CG2 3.71Å; Y125-V127 HydrophobicContact CD2-CG2 4.33Å; Y125-V127 HydrophobicContact CE1-CG2 3.19Å; Y125-V127 HydrophobicContact CE2-CG2 3.89Å; Y125-V127 HydrophobicContact CG-CG2 4.25Å; Y125-R131 WeakPolarHBondContact O-CA 3.46Å; Y125-I132 HydrophobicContact CD1-CD1 3.87Å; Y125-I132 HydrophobicContact CE1-CD1 4.49Å; Y125-I132 PolarHBondContact N-O 2.8Å; Y125-I132 PolarHBondContact O-N 3Å
126T95.9Very high93.3Very high47 Ų4757.5 Ų57.529%0.28828%0.279SS..EExtended strand (participates in β ladder)trans-106.6118.9178.541.30000110.4S81 I124 R131S81-T126 PolarHBondContact O-N 3.46Å; S81-T126 PolarHBondContact O-OG1 2.68Å; I124-T126 HydrophobicContact CG2-CG2 4.23Å; T126-R131 HydrophobicContact CG2-CB 4.2Å; T126-R131 HydrophobicContact CG2-CG 3.62Å
127V91.4Very high94.3Very high68 Ų6855.8 Ų55.841%0.41227%0.269SS..  trans-122.1173.8173.5-143.70000108Y125 F129 D130Y125-V127 HydrophobicContact CD1-CG2 3.71Å; Y125-V127 HydrophobicContact CD2-CG2 4.33Å; Y125-V127 HydrophobicContact CE1-CG2 3.19Å; Y125-V127 HydrophobicContact CE2-CG2 3.89Å; Y125-V127 HydrophobicContact CG-CG2 4.25Å; V127-F129 PolarHBondContact O-N 3.49Å; V127-D130 PolarHBondContact N-O 2.82Å; V127-D130 PolarHBondContact O-N 3.47Å
128E90.1Very high94.8Very high171 Ų17154.2 Ų54.280%0.79926%0.256SS*.SBendtrans-48.9-34-171.4-64180172.600115.5
129F89.7Confident94.9Very high183 Ų18354.2 Ų54.280%0.80326%0.262SS*.SBendtrans-126.4-3.6-176.1-55.3-72.4000114.3V127V127-F129 PolarHBondContact O-N 3.49Å
130D92.8Very high94.9Very high98 Ų9856 Ų5652%0.52427%0.27SS..  trans-134.6141.4-170.6-73.7-40.7000111.7V127 I132V127-D130 PolarHBondContact N-O 2.82Å; V127-D130 PolarHBondContact O-N 3.47Å; D130-I132 HydrophobicContact CB-CD1 3.87Å; D130-I132 HydrophobicContact CB-CG1 4.48Å
131R94.7Very high94.7Very high160 Ų16058.6 Ų58.660%0.60429%0.289SS*.EExtended strand (participates in β ladder)trans-128.396.3171.1-174.3170170.2-173.90.3109.6I124 Y125 T126 H133I124-R131 HydrophobicContact CG2-CG 3.91Å; Y125-R131 WeakPolarHBondContact O-CA 3.46Å; T126-R131 HydrophobicContact CG2-CB 4.2Å; T126-R131 HydrophobicContact CG2-CG 3.62Å; R131-H133 PolarHBondContact O-ND1 3.12Å
132I95.4Very high94.4Very high19 Ų1959.2 Ų59.210%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-95.4140.8-176-56.7117.7000109.5T58 N60 I124 Y125 D130 Y134T58-I132 HydrophobicContact CG2-CG2 4.49Å; N60-I132 HydrophobicContact CB-CB 4.46Å; N60-I132 HydrophobicContact CB-CD1 3.6Å; N60-I132 HydrophobicContact CB-CG1 3.76Å; N60-I132 HydrophobicContact CB-CG2 4.16Å; N60-I132 WeakPolarHBondContact ND2-CD1 3.3Å; I124-I132 CarbonylContact C-O 3.55Å; I124-I132 WeakPolarHBondContact CA-O 3.35Å; Y125-I132 HydrophobicContact CD1-CD1 3.87Å; Y125-I132 HydrophobicContact CE1-CD1 4.49Å; Y125-I132 PolarHBondContact N-O 2.8Å; Y125-I132 PolarHBondContact O-N 3Å; D130-I132 HydrophobicContact CB-CD1 3.87Å; D130-I132 HydrophobicContact CB-CG1 4.48Å; I132-Y134 HydrophobicContact CB-CE2 4.34Å; I132-Y134 HydrophobicContact CG2-CD1 4.21Å; I132-Y134 HydrophobicContact CG2-CD2 4.4Å; I132-Y134 HydrophobicContact CG2-CE1 3.68Å; I132-Y134 HydrophobicContact CG2-CE2 3.9Å
133H95.6Very high94Very high87 Ų8765 Ų6540%0.40332%0.321SS..EExtended strand (participates in β ladder)trans-118.5118.9179.2-58.477.4000108.2T58 I122 R131 P135T58-H133 WeakPolarHBondContact CG2-O 3.2Å; I122-H133 HydrophobicContact CG2-CB 3.78Å; R131-H133 PolarHBondContact O-ND1 3.12Å; H133-P135 VanDerWaalsContact O-CD 3.26Å; H133-P135 WeakPolarHBondContact O-CD 3.23Å
134Y97Very high93.5Very high0 Ų066.6 Ų66.60%033%0.331CS..EExtended strand (participates in β ladder)trans-104100.4175.7-55.4-75.1000109.3T55 T58 N60 F67 M70 L123 I132T55-Y134 HydrophobicContact CG2-CD1 3.69Å; T55-Y134 HydrophobicContact CG2-CE1 3.59Å; T55-Y134 HydrophobicContact CG2-CG 4.48Å; T58-Y134 HydrophobicContact CG2-CD1 3.79Å; T58-Y134 HydrophobicContact CG2-CE1 4.22Å; T58-Y134 WeakPolarHBondContact OG1-CD1 3.36Å; T58-Y134 WeakPolarHBondContact OG1-CE1 3.24Å; N60-Y134 WeakPolarHBondContact CB-OH 3.28Å; N60-Y134 WeakPolarHBondContact O-CE1 3.45Å; N60-Y134 PolarHBondContact O-OH 3.27Å; N60-Y134 PolarHBondContact OD1-OH 3.12Å; F67-Y134 HydrophobicContact CE2-CD1 4.44Å; F67-Y134 HydrophobicContact CE2-CD2 4.12Å; F67-Y134 AromaticContact CE2-CG 3.88Å; F67-Y134 HydrophobicContact CE2-CG 3.88Å; M70-Y134 HydrophobicContact CE-CE2 4.4Å; L123-Y134 HydrophobicContact CB-CD2 4.4Å; L123-Y134 HydrophobicContact CD2-CD2 4.23Å; L123-Y134 HydrophobicContact CG-CD2 4.29Å; L123-Y134 PolarHBondContact N-O 3.14Å; L123-Y134 WeakPolarHBondContact O-CD2 3.39Å; L123-Y134 PolarHBondContact O-N 2.7Å; I132-Y134 HydrophobicContact CB-CE2 4.34Å; I132-Y134 HydrophobicContact CG2-CD1 4.21Å; I132-Y134 HydrophobicContact CG2-CD2 4.4Å; I132-Y134 HydrophobicContact CG2-CE1 3.68Å; I132-Y134 HydrophobicContact CG2-CE2 3.9Å
135P95.8Very high93.2Very high48 Ų4870 Ų7031%0.31235%0.349SS..EExtended strand (participates in β ladder)trans-80.8119.2-179.130.4-34.1000111.7L54 I122 H133 P137L54-P135 HydrophobicContact CD1-CG 4.22Å; I122-P135 HydrophobicContact CD1-CB 3.69Å; H133-P135 VanDerWaalsContact O-CD 3.26Å; H133-P135 WeakPolarHBondContact O-CD 3.23Å; P135-P137 WeakPolarHBondContact O-CD 3.44Å
136L96.5Very high92.8Very high0 Ų071.8 Ų71.80%037%0.367CS..EExtended strand (participates in β ladder)trans-100.1108.8172.2-63.7174000109.4F46 I51 L54 F67 L71 Y120 L121 L138F46-L136 HydrophobicContact CD1-CD2 4.38Å; F46-L136 HydrophobicContact CD2-CD2 4.31Å; F46-L136 HydrophobicContact CE1-CD2 4.22Å; F46-L136 HydrophobicContact CE2-CB 4.17Å; F46-L136 HydrophobicContact CE2-CD2 4.14Å; F46-L136 HydrophobicContact CG-CD2 4.41Å; F46-L136 HydrophobicContact CZ-CB 3.83Å; F46-L136 HydrophobicContact CZ-CD2 4.09Å; F46-L136 HydrophobicContact CZ-CG 4.48Å; I51-L136 HydrophobicContact CD1-CD2 3.63Å; L54-L136 HydrophobicContact CD2-CD2 3.67Å; F67-L136 HydrophobicContact CE1-CD1 4.09Å; F67-L136 HydrophobicContact CE1-CD2 4.2Å; F67-L136 HydrophobicContact CZ-CD1 4.04Å; F67-L136 HydrophobicContact CZ-CD2 4.01Å; F67-L136 HydrophobicContact CZ-CG 4.24Å; L71-L136 HydrophobicContact CD2-CD1 4.25Å; Y120-L136 CarbonylContact C-O 3.57Å; Y120-L136 WeakPolarHBondContact CA-O 3.13Å; L121-L136 HydrophobicContact CB-CB 4.31Å; L121-L136 HydrophobicContact CD2-CD1 4.4Å; L121-L136 PolarHBondContact N-O 2.97Å; L121-L136 WeakPolarHBondContact O-CB 3.31Å; L121-L136 PolarHBondContact O-N 2.99Å; L136-L138 PolarHBondContact O-N 3.1Å
137P94.9Very high92.5Very high33 Ų3372.4 Ų72.421%0.21438%0.376CS..EExtended strand (participates in β ladder)trans-75.3125.4178.729.3-33.1000111F46 Y50 Y120 P135 P139F46-P137 HydrophobicContact CE1-CG 4.33Å; F46-P137 WeakPolarHBondContact CZ-O 3.39Å; Y50-P137 WeakPolarHBondContact OH-CG 3.46Å; Y120-P137 HydrophobicContact CD1-CB 3.98Å; Y120-P137 HydrophobicContact CE1-CB 3.82Å; P135-P137 WeakPolarHBondContact O-CD 3.44Å; P137-P139 WeakPolarHBondContact O-CD 3.39Å
138L95.8Very high92.3Very high0 Ų072.5 Ų72.50%038%0.38CS..EExtended strand (participates in β ladder)trans-115.2104.6179.5-54176000109.6V31 I33 W42 F46 R119 L121 L136V31-L138 HydrophobicContact CB-CD2 4.07Å; V31-L138 HydrophobicContact CG1-CD1 4.33Å; V31-L138 HydrophobicContact CG1-CD2 4.18Å; I33-L138 HydrophobicContact CB-CD1 4.41Å; I33-L138 HydrophobicContact CD1-CD1 3.3Å; I33-L138 HydrophobicContact CG1-CD1 3.67Å; W42-L138 HydrophobicContact CB-CB 3.76Å; F46-L138 HydrophobicContact CE2-CD2 4.02Å; F46-L138 HydrophobicContact CZ-CD2 3.91Å; R119-L138 PolarHBondContact N-O 2.89Å; R119-L138 PolarHBondContact O-N 3.42Å; L121-L138 HydrophobicContact CB-CD1 3.88Å; L136-L138 PolarHBondContact O-N 3.1Å
139P94.3Very high92.2Very high64 Ų6467.7 Ų67.742%0.41636%0.36SS..  trans-54.2143168.1-27.333000113W42 R43 P137W42-P139 CarbonylContact C-O 3.59Å; W42-P139 WeakPolarHBondContact CA-O 3.31Å; R43-P139 PolarHBondContact N-O 2.89Å; R43-P139 VanDerWaalsContact O-CD 3.25Å; R43-P139 WeakPolarHBondContact O-CD 3.42Å; P137-P139 WeakPolarHBondContact O-CD 3.39Å
140Y94.3Very high92.3Very high95 Ų9564.1 Ų64.137%0.37335%0.346SS..EExtended strand (participates in β ladder)trans-75.4126172.8-178.7-119.7000109.8D40 Q41 W42 A117D40-Y140 HydrophobicContact CB-CE2 3.76Å; D40-Y140 PolarHBondContact OD1-OH 3.35Å; Q41-Y140 WeakPolarHBondContact O-CD2 3.35Å; W42-Y140 VanDerWaalsContact CD1-CA 3.45Å; W42-Y140 AromaticContact CD1-CD2 3.89Å; W42-Y140 HydrophobicContact CD2-CD2 4.25Å; W42-Y140 AromaticContact CE2-CD2 3.64Å; W42-Y140 HydrophobicContact CG-CD2 4.37Å; W42-Y140 HydrophobicContact CZ2-CD2 4.07Å; W42-Y140 HydrophobicContact CZ2-CE2 4.3Å; W42-Y140 AromaticContact NE1-CD2 3.39Å; W42-Y140 AromaticContact NE1-CG 3.91Å; A117-Y140 HydrophobicContact CB-CD1 4.4Å; A117-Y140 HydrophobicContact CB-CG 4.38Å
141V91.2Very high92.3Very high92 Ų9267.2 Ų67.256%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-93.7-27.7179.7-175.80000110.8Q41 R43Q41-V141 HydrophobicContact CB-CB 4.37Å; Q41-V141 PolarHBondContact O-N 2.94Å; R43-V141 HydrophobicContact CB-CG2 3.58Å
142G89.9Confident92.2Very high13 Ų1365 Ų6513%0.13435%0.35CS..EExtended strand (participates in β ladder)trans113.9-163.1-174.500000111.7Q41Q41-G142 WeakPolarHBondContact CB-O 3.24Å; Q41-G142 PolarHBondContact N-O 2.74Å
143K88.3Confident92Very high131 Ų13167.8 Ų67.857%0.5737%0.365SS*.PPolyproline II helixtrans-94139169.1-57.7-172.7-178.1-150.30108.7T38 D40T38-K143 VanDerWaalsContact O-CE 3.31Å; T38-K143 WeakPolarHBondContact O-CE 3.22Å; T38-K143 PolarHBondContact O-NZ 2.91Å; D40-K143 VanDerWaalsContact OD1-CE 3.24Å; D40-K143 WeakPolarHBondContact OD1-CE 3.14Å; D40-K143 WeakPolarHBondContact OD1-CG 3.44Å
144P87.6Confident91.9Very high32 Ų3272 Ų7221%0.20838%0.378CS..PPolyproline II helixtrans-62.3143.9175.128.1-34.7000110A39 L149A39-P144 WeakPolarHBondContact O-CD 3.47Å; P144-L149 HydrophobicContact CB-CD1 3.98Å; P144-L149 HydrophobicContact CB-CD2 4.24Å; P144-L149 HydrophobicContact CB-CG 4.08Å; P144-L149 HydrophobicContact CG-CD1 3.69Å; P144-L149 HydrophobicContact CG-CG 4.33Å
145D89.7Confident91.8Very high81 Ų8174.7 Ų74.743%0.43340%0.399SS..PPolyproline II helixtrans-64.6124.6178.6165.347.1000110.5A147 S148 L149D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.4Å; D145-A147 PolarHBondContact OD1-N 3.26Å; D145-S148 PolarHBondContact O-N 3.23Å; D145-S148 WeakPolarHBondContact OD2-CB 3.21Å; D145-S148 PolarHBondContact OD2-N 3.24Å; D145-S148 PolarHBondContact OD2-OG 2.96Å; D145-L149 PolarHBondContact O-N 3.47Å
146P87.5Confident91.7Very high86 Ų8676.4 Ų76.456%0.55841%0.406SS*.Hα-helixtrans-62-30.9-177.323.9-35.3000113.2Q150P146-Q150 WeakPolarHBondContact O-CB 3.39Å; P146-Q150 VanDerWaalsContact O-CG 3.25Å; P146-Q150 WeakPolarHBondContact O-CG 3.5Å; P146-Q150 PolarHBondContact O-N 3.36Å
147A90Very high91.5Very high59 Ų5984.9 Ų84.949%0.48844%0.438SS..Hα-helixtrans-69.5-40.9178.200000111.4D145 Q150 K151D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.4Å; D145-A147 PolarHBondContact OD1-N 3.26Å; A147-Q150 PolarHBondContact O-N 3Å; A147-K151 WeakPolarHBondContact O-CB 3.41Å; A147-K151 PolarHBondContact O-N 2.95Å
148S88.3Confident91.3Very high70 Ų7085.9 Ų85.949%0.4945%0.448SS..Hα-helixtrans-62.1-46.5174.6-610000111.8D145 Q150 K151 E152D145-S148 PolarHBondContact O-N 3.23Å; D145-S148 WeakPolarHBondContact OD2-CB 3.21Å; D145-S148 PolarHBondContact OD2-N 3.24Å; D145-S148 PolarHBondContact OD2-OG 2.96Å; S148-Q150 PolarHBondContact O-N 3.24Å; S148-K151 WeakPolarHBondContact O-CB 3.47Å; S148-K151 PolarHBondContact O-N 2.87Å; S148-E152 PolarHBondContact O-N 3.38Å
149L87.8Confident91Very high71 Ų7191.3 Ų91.337%0.37247%0.474SS..Hα-helixtrans-60.8-43.9174.4-71.7179.2000112.4P144 D145 K151 E152 I153P144-L149 HydrophobicContact CB-CD1 3.98Å; P144-L149 HydrophobicContact CB-CD2 4.24Å; P144-L149 HydrophobicContact CB-CG 4.08Å; P144-L149 HydrophobicContact CG-CD1 3.69Å; P144-L149 HydrophobicContact CG-CG 4.33Å; D145-L149 PolarHBondContact O-N 3.47Å; L149-K151 VanDerWaalsContact C-N 3.3Å; L149-K151 PolarHBondContact O-N 2.97Å; L149-E152 PolarHBondContact O-N 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.49Å; L149-I153 WeakPolarHBondContact O-CG1 3.3Å; L149-I153 PolarHBondContact O-N 3.03Å
150Q91.2Very high90.7Very high108 Ų10893.3 Ų93.351%0.50548%0.48SS..Hα-helixtrans-63.2-37.8177.3-76.5179.412.800112.3P146 A147 S148 R154P146-Q150 WeakPolarHBondContact O-CB 3.39Å; P146-Q150 VanDerWaalsContact O-CG 3.25Å; P146-Q150 WeakPolarHBondContact O-CG 3.5Å; P146-Q150 PolarHBondContact O-N 3.36Å; A147-Q150 PolarHBondContact O-N 3Å; S148-Q150 PolarHBondContact O-N 3.24Å; Q150-R154 WeakPolarHBondContact O-CB 3.42Å; Q150-R154 VanDerWaalsContact O-CG 3.24Å; Q150-R154 WeakPolarHBondContact O-CG 3.32Å; Q150-R154 PolarHBondContact O-N 3.46Å
151K93.1Very high90.4Very high163 Ų16391.8 Ų91.871%0.70948%0.483SS*.Hα-helixtrans-64.1-44.8175.4-175.4-176.3177.2-173.60110.9A147 S148 L149 R154 A155A147-K151 WeakPolarHBondContact O-CB 3.41Å; A147-K151 PolarHBondContact O-N 2.95Å; S148-K151 WeakPolarHBondContact O-CB 3.47Å; S148-K151 PolarHBondContact O-N 2.87Å; L149-K151 VanDerWaalsContact C-N 3.3Å; L149-K151 PolarHBondContact O-N 2.97Å; K151-R154 PolarHBondContact O-N 3.42Å; K151-A155 WeakPolarHBondContact O-CB 3.49Å; K151-A155 PolarHBondContact O-N 3.48Å
152E91.8Very high90.1Very high112 Ų11289.7 Ų89.752%0.52348%0.475SS..Hα-helixtrans-64.4-46.3176.5-174.9168.4-164.400111.9S148 L149 R154 A155 L156S148-E152 PolarHBondContact O-N 3.38Å; L149-E152 PolarHBondContact O-N 3.31Å; E152-R154 VanDerWaalsContact C-N 3.27Å; E152-R154 PolarHBondContact O-N 2.91Å; E152-A155 CarbonylContact O-C 3.55Å; E152-A155 WeakPolarHBondContact O-CA 3.34Å; E152-A155 WeakPolarHBondContact O-CB 3.26Å; E152-A155 PolarHBondContact O-N 2.89Å; E152-L156 HydrophobicContact CG-CD1 4.01Å; E152-L156 HydrophobicContact CG-CG 4.28Å; E152-L156 WeakPolarHBondContact O-CB 3.03Å; E152-L156 WeakPolarHBondContact O-CG 3.38Å; E152-L156 PolarHBondContact O-N 3.02Å
153I91.6Very high89.5Confident78 Ų7894.8 Ų94.840%0.450%0.499SS..Hα-helixtrans-56.9-41.8174.2-70165.5000110.9L149 R157L149-I153 WeakPolarHBondContact O-CB 3.49Å; L149-I153 WeakPolarHBondContact O-CG1 3.3Å; L149-I153 PolarHBondContact O-N 3.03Å; I153-R157 HydrophobicContact CG2-CG 4.36Å; I153-R157 WeakPolarHBondContact O-CB 3.33Å; I153-R157 WeakPolarHBondContact O-CG 3.31Å; I153-R157 PolarHBondContact O-N 3.42Å
154R94.2Very high89Confident177 Ų17793.1 Ų93.167%0.66850%0.499SS*.Hα-helixtrans-65.7-40.6175.6-73.7174.4-168.6-170.35.8111.8Q150 K151 E152 A158Q150-R154 WeakPolarHBondContact O-CB 3.42Å; Q150-R154 VanDerWaalsContact O-CG 3.24Å; Q150-R154 WeakPolarHBondContact O-CG 3.32Å; Q150-R154 PolarHBondContact O-N 3.46Å; K151-R154 PolarHBondContact O-N 3.42Å; E152-R154 VanDerWaalsContact C-N 3.27Å; E152-R154 PolarHBondContact O-N 2.91Å; R154-A158 VanDerWaalsContact O-CB 3.28Å; R154-A158 WeakPolarHBondContact O-CB 3.4Å; R154-A158 PolarHBondContact O-N 3.04Å
155A94.4Very high88.1Confident55 Ų5595.9 Ų95.946%0.45552%0.52SS..Hα-helixtrans-65.3-50.3177.100000111.7K151 E152 R157 A158 E159K151-A155 WeakPolarHBondContact O-CB 3.49Å; K151-A155 PolarHBondContact O-N 3.48Å; E152-A155 CarbonylContact O-C 3.55Å; E152-A155 WeakPolarHBondContact O-CA 3.34Å; E152-A155 WeakPolarHBondContact O-CB 3.26Å; E152-A155 PolarHBondContact O-N 2.89Å; A155-R157 VanDerWaalsContact C-N 3.35Å; A155-R157 PolarHBondContact O-N 2.84Å; A155-A158 CarbonylContact O-C 3.57Å; A155-A158 WeakPolarHBondContact O-CA 3.45Å; A155-A158 WeakPolarHBondContact O-CB 3.49Å; A155-A158 PolarHBondContact O-N 3.31Å; A155-A158 VanDerWaalsContact O-N 3.09Å; A155-E159 PolarHBondContact O-N 2.85Å
156L93.6Very high86.4Confident85 Ų85100.1 Ų100.145%0.44554%0.536SS..Hα-helixtrans-61.2-41.4176.6-69.4174.8000111.7E152 A158 E159 I160E152-L156 HydrophobicContact CG-CD1 4.01Å; E152-L156 HydrophobicContact CG-CG 4.28Å; E152-L156 WeakPolarHBondContact O-CB 3.03Å; E152-L156 WeakPolarHBondContact O-CG 3.38Å; E152-L156 PolarHBondContact O-N 3.02Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-E159 PolarHBondContact O-N 3.09Å; L156-I160 WeakPolarHBondContact O-CB 3.43Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 2.82Å
157R92.1Very high84.8Confident178 Ų17897.3 Ų97.367%0.67252%0.524SS*.Hα-helixtrans-63.9-39.7173.1-75.2174.9-178.2-172.32.3111.9I153 A155 S161I153-R157 HydrophobicContact CG2-CG 4.36Å; I153-R157 WeakPolarHBondContact O-CB 3.33Å; I153-R157 WeakPolarHBondContact O-CG 3.31Å; I153-R157 PolarHBondContact O-N 3.42Å; A155-R157 VanDerWaalsContact C-N 3.35Å; A155-R157 PolarHBondContact O-N 2.84Å; R157-S161 VanDerWaalsContact O-CB 3.24Å; R157-S161 WeakPolarHBondContact O-CB 3.47Å; R157-S161 PolarHBondContact O-N 3.39Å; R157-S161 PolarHBondContact O-OG 2.69Å
158A90.9Very high83.2Confident53 Ų5397 Ų9744%0.43853%0.526SS..Hα-helixtrans-64.6-41175.100000111R154 A155 L156 S161 A162R154-A158 VanDerWaalsContact O-CB 3.28Å; R154-A158 WeakPolarHBondContact O-CB 3.4Å; R154-A158 PolarHBondContact O-N 3.04Å; A155-A158 CarbonylContact O-C 3.57Å; A155-A158 WeakPolarHBondContact O-CA 3.45Å; A155-A158 WeakPolarHBondContact O-CB 3.49Å; A155-A158 PolarHBondContact O-N 3.31Å; A155-A158 VanDerWaalsContact O-N 3.09Å; L156-A158 VanDerWaalsContact C-N 3.34Å; A158-S161 WeakPolarHBondContact CA-OG 3.39Å; A158-S161 CarbonylContact O-C 3.52Å; A158-S161 PolarHBondContact O-N 2.8Å; A158-S161 PolarHBondContact O-OG 3.27Å; A158-A162 WeakPolarHBondContact O-CB 3.34Å; A158-A162 PolarHBondContact O-N 2.81Å
159E90.3Very high81.7Confident115 Ų11595.4 Ų95.454%0.53752%0.521SS..Hα-helixtrans-66-47.3176.2-174171.4-17000112A155 L156 S161 A162 L163A155-E159 PolarHBondContact O-N 2.85Å; L156-E159 PolarHBondContact O-N 3.09Å; E159-S161 VanDerWaalsContact C-N 3.26Å; E159-S161 PolarHBondContact O-N 3.1Å; E159-A162 WeakPolarHBondContact O-CB 3.37Å; E159-A162 PolarHBondContact O-N 3.48Å; E159-A162 VanDerWaalsContact O-N 3.1Å; E159-L163 HydrophobicContact CG-CD1 4.1Å; E159-L163 HydrophobicContact CG-CG 4.46Å; E159-L163 WeakPolarHBondContact O-CB 3.36Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.49Å; E159-L163 PolarHBondContact O-N 2.85Å
160I87.4Confident80.5Confident106 Ų10699.9 Ų99.954%0.54454%0.537SS..Hα-helixtrans-57.9-42.4172-67.8166.4000110L156 A162 L163 T164L156-I160 WeakPolarHBondContact O-CB 3.43Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 2.82Å; I160-A162 VanDerWaalsContact C-N 3.35Å; I160-A162 PolarHBondContact O-N 3.43Å; I160-L163 PolarHBondContact O-N 3.3Å; I160-T164 HydrophobicContact CG2-CG2 4.27Å; I160-T164 VanDerWaalsContact O-CB 3.31Å; I160-T164 WeakPolarHBondContact O-CB 3.49Å; I160-T164 VanDerWaalsContact O-CG2 3.23Å; I160-T164 WeakPolarHBondContact O-CG2 3.4Å; I160-T164 PolarHBondContact O-N 2.79Å; I160-T164 PolarHBondContact O-OG1 2.8Å
161S86.8Confident79.3Confident63 Ų6398.2 Ų98.244%0.44154%0.537SS..Hα-helixtrans-66.3-3617780.40000112.5R157 A158 E159 T164 S165R157-S161 VanDerWaalsContact O-CB 3.24Å; R157-S161 WeakPolarHBondContact O-CB 3.47Å; R157-S161 PolarHBondContact O-N 3.39Å; R157-S161 PolarHBondContact O-OG 2.69Å; A158-S161 WeakPolarHBondContact CA-OG 3.39Å; A158-S161 CarbonylContact O-C 3.52Å; A158-S161 PolarHBondContact O-N 2.8Å; A158-S161 PolarHBondContact O-OG 3.27Å; E159-S161 VanDerWaalsContact C-N 3.26Å; E159-S161 PolarHBondContact O-N 3.1Å; S161-T164 VanDerWaalsContact CA-OG1 3.28Å; S161-T164 WeakPolarHBondContact CA-OG1 3.4Å; S161-T164 PolarHBondContact O-OG1 2.88Å; S161-T164 VanDerWaalsContact O-OG1 3.14Å; S161-S165 WeakPolarHBondContact O-CB 3.44Å; S161-S165 PolarHBondContact O-N 2.76Å; S161-S165 PolarHBondContact O-OG 3.34Å
162A85.4Confident78.1Confident47 Ų4793.3 Ų93.339%0.38852%0.521SS..Hα-helixtrans-68.8-46.8176.500000110.2A158 E159 I160 T164 S165 H166A158-A162 WeakPolarHBondContact O-CB 3.34Å; A158-A162 PolarHBondContact O-N 2.81Å; E159-A162 WeakPolarHBondContact O-CB 3.37Å; E159-A162 PolarHBondContact O-N 3.48Å; E159-A162 VanDerWaalsContact O-N 3.1Å; I160-A162 VanDerWaalsContact C-N 3.35Å; I160-A162 PolarHBondContact O-N 3.43Å; A162-T164 VanDerWaalsContact C-N 3.35Å; A162-T164 PolarHBondContact O-N 2.84Å; A162-S165 WeakPolarHBondContact CA-OG 3.48Å; A162-S165 PolarHBondContact O-N 2.85Å; A162-S165 PolarHBondContact O-OG 3.02Å; A162-S165 VanDerWaalsContact O-OG 3.12Å; A162-H166 WeakPolarHBondContact O-CB 3.37Å; A162-H166 PolarHBondContact O-N 3.07Å
163L78.8Confident77.3Confident121 Ų12191.5 Ų91.563%0.63452%0.515SS*.Hα-helixtrans-62.7-40.2176.4-69.4171.8000112E159 I160E159-L163 HydrophobicContact CG-CD1 4.1Å; E159-L163 HydrophobicContact CG-CG 4.46Å; E159-L163 WeakPolarHBondContact O-CB 3.36Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.49Å; E159-L163 PolarHBondContact O-N 2.85Å; I160-L163 PolarHBondContact O-N 3.3Å
164T76.8Confident76.8Confident95 Ų9593.8 Ų93.858%0.58353%0.528SS*.Hα-helixtrans-75.9-28.2176.553.80000113.3I160 S161 A162I160-T164 HydrophobicContact CG2-CG2 4.27Å; I160-T164 VanDerWaalsContact O-CB 3.31Å; I160-T164 WeakPolarHBondContact O-CB 3.49Å; I160-T164 VanDerWaalsContact O-CG2 3.23Å; I160-T164 WeakPolarHBondContact O-CG2 3.4Å; I160-T164 PolarHBondContact O-N 2.79Å; I160-T164 PolarHBondContact O-OG1 2.8Å; S161-T164 VanDerWaalsContact CA-OG1 3.28Å; S161-T164 WeakPolarHBondContact CA-OG1 3.4Å; S161-T164 PolarHBondContact O-OG1 2.88Å; S161-T164 VanDerWaalsContact O-OG1 3.14Å; A162-T164 VanDerWaalsContact C-N 3.35Å; A162-T164 PolarHBondContact O-N 2.84Å
165S68Low76.3Confident91 Ų9190.9 Ų90.964%0.63652%0.522SS*.Hα-helixtrans-84.6-22.117561.40000113.6S161 A162 G167S161-S165 WeakPolarHBondContact O-CB 3.44Å; S161-S165 PolarHBondContact O-N 2.76Å; S161-S165 PolarHBondContact O-OG 3.34Å; A162-S165 WeakPolarHBondContact CA-OG 3.48Å; A162-S165 PolarHBondContact O-N 2.85Å; A162-S165 PolarHBondContact O-OG 3.02Å; A162-S165 VanDerWaalsContact O-OG 3.12Å; S165-G167 PolarHBondContact O-N 3.23Å
166H55.3Low75.8Confident169 Ų16991.8 Ų91.878%0.78252%0.517SS*.THydrogen-bonded Turntrans-71.717.6170.9-111.652.1000114.4A162 G168A162-H166 WeakPolarHBondContact O-CB 3.37Å; A162-H166 PolarHBondContact O-N 3.07Å; H166-G168 VanDerWaalsContact C-N 3.25Å; H166-G168 PolarHBondContact O-N 3Å
167G53.5Low75.6Confident28 Ų2892.8 Ų92.829%0.28952%0.52SS..THydrogen-bonded Turntrans72.95.6151.500000117S165 G169 S171S165-G167 PolarHBondContact O-N 3.23Å; G167-G169 PolarHBondContact O-N 2.96Å; G167-S171 WeakPolarHBondContact O-CB 3.42Å; G167-S171 PolarHBondContact O-N 3.22Å
168G55.2Low75.7Confident53 Ų5392.1 Ų92.155%0.54652%0.517SS..THydrogen-bonded Turntrans-68.4-17.717800000114.5H166 T172H166-G168 VanDerWaalsContact C-N 3.25Å; H166-G168 PolarHBondContact O-N 3Å; G168-T172 WeakPolarHBondContact O-CB 3.1Å; G168-T172 WeakPolarHBondContact O-CG2 3.45Å; G168-T172 PolarHBondContact O-OG1 3.32Å
169G57.3Low75.7Confident36 Ų3693.8 Ų93.837%0.37152%0.518SS..THydrogen-bonded Turntrans-96.7-61.9174.700000111.9G167 S171 T172 D173G167-G169 PolarHBondContact O-N 2.96Å; G169-S171 PolarHBondContact O-N 3.43Å; G169-T172 PolarHBondContact O-N 3.27Å; G169-T172 PolarHBondContact O-OG1 2.71Å; G169-D173 WeakPolarHBondContact O-CA 3.4Å; G169-D173 WeakPolarHBondContact O-CB 3.48Å; G169-D173 PolarHBondContact O-N 2.82Å
170K63.9Low75.8Confident164 Ų16495.4 Ų95.471%0.71352%0.519SS*.Hα-helixtrans-66-36.7-172.4-62.1177.2-177.3175.30114.4L174K170-L174 WeakPolarHBondContact O-CB 3.26Å; K170-L174 WeakPolarHBondContact O-CD1 3.42Å; K170-L174 WeakPolarHBondContact O-CG 3.25Å; K170-L174 PolarHBondContact O-N 2.99Å; K170-L174 VanDerWaalsContact O-N 3.09Å
171S64.5Low76.2Confident73 Ų7397.2 Ų97.251%0.5153%0.525SS..Hα-helixtrans-71.4-44.5177.5-176.20000111.2G167 G169 L174 E175G167-S171 WeakPolarHBondContact O-CB 3.42Å; G167-S171 PolarHBondContact O-N 3.22Å; G169-S171 PolarHBondContact O-N 3.43Å; S171-L174 PolarHBondContact O-N 2.91Å; S171-E175 VanDerWaalsContact O-CB 3.25Å; S171-E175 WeakPolarHBondContact O-CB 3.37Å; S171-E175 PolarHBondContact O-N 2.78Å
172T68.9Low76.5Confident60 Ų6098.3 Ų98.337%0.36852%0.524SS..Hα-helixtrans-72.6-32.9-179.863.80000111.2G168 G169 E175 M176G168-T172 WeakPolarHBondContact O-CB 3.1Å; G168-T172 WeakPolarHBondContact O-CG2 3.45Å; G168-T172 PolarHBondContact O-OG1 3.32Å; G169-T172 PolarHBondContact O-N 3.27Å; G169-T172 PolarHBondContact O-OG1 2.71Å; T172-E175 PolarHBondContact O-N 3.4Å; T172-M176 WeakPolarHBondContact O-CA 3.24Å; T172-M176 WeakPolarHBondContact O-CB 3.31Å; T172-M176 PolarHBondContact O-N 2.99Å
173D74.8Confident76.8Confident75 Ų75102.1 Ų102.140%0.40154%0.537SS..Hα-helixtrans-66.4-45.5174-70.7-27.8000110.1G169 M176 H177G169-D173 WeakPolarHBondContact O-CA 3.4Å; G169-D173 WeakPolarHBondContact O-CB 3.48Å; G169-D173 PolarHBondContact O-N 2.82Å; D173-M176 PolarHBondContact O-N 3.38Å; D173-H177 VanDerWaalsContact O-CB 3.31Å; D173-H177 WeakPolarHBondContact O-CB 3.48Å; D173-H177 PolarHBondContact O-CD2 2.96Å; D173-H177 PolarHBondContact O-N 3.04Å
174L80.9Confident77.5Confident126 Ų12699.2 Ų99.266%0.6653%0.53SS*.Hα-helixtrans-65.2-40.8175.5-72.2171.5000112K170 S171 H177 R178K170-L174 WeakPolarHBondContact O-CB 3.26Å; K170-L174 WeakPolarHBondContact O-CD1 3.42Å; K170-L174 WeakPolarHBondContact O-CG 3.25Å; K170-L174 PolarHBondContact O-N 2.99Å; K170-L174 VanDerWaalsContact O-N 3.09Å; S171-L174 PolarHBondContact O-N 2.91Å; L174-H177 PolarHBondContact O-N 3.36Å; L174-R178 WeakPolarHBondContact O-CB 3.28Å; L174-R178 PolarHBondContact O-N 2.94Å
175E84.4Confident78.4Confident116 Ų11697 Ų9754%0.54252%0.521SS..Hα-helixtrans-67.8-40.6175.6-170.1170.9-167.200111.5S171 T172 R178 L179S171-E175 VanDerWaalsContact O-CB 3.25Å; S171-E175 WeakPolarHBondContact O-CB 3.37Å; S171-E175 PolarHBondContact O-N 2.78Å; T172-E175 PolarHBondContact O-N 3.4Å; E175-R178 PolarHBondContact O-N 3.32Å; E175-L179 HydrophobicContact CG-CD1 4.04Å; E175-L179 HydrophobicContact CG-CG 4.46Å; E175-L179 VanDerWaalsContact O-CB 3.3Å; E175-L179 WeakPolarHBondContact O-CB 3.24Å; E175-L179 WeakPolarHBondContact O-CG 3.3Å; E175-L179 PolarHBondContact O-N 2.85Å
176M84.1Confident79.7Confident73 Ų7396.9 Ų96.936%0.3652%0.517SS..Hα-helixtrans-64.1-41.1174.2-174.1-164.2-46.200111T172 D173 R180T172-M176 WeakPolarHBondContact O-CA 3.24Å; T172-M176 WeakPolarHBondContact O-CB 3.31Å; T172-M176 PolarHBondContact O-N 2.99Å; D173-M176 PolarHBondContact O-N 3.38Å; M176-R180 VanDerWaalsContact O-CB 3.3Å; M176-R180 WeakPolarHBondContact O-CB 3.29Å; M176-R180 WeakPolarHBondContact O-CG 3.46Å; M176-R180 PolarHBondContact O-N 3.24Å; M176-R180 PolarHBondContact SD-NH1 2.96Å; M176-R180 PolarHBondContact SD-NH2 2.84Å
177H89.3Confident81.5Confident107 Ų10795.1 Ų95.150%0.49551%0.507SS..Hα-helixtrans-64.8-44174.4-82.7-62000111.8D173 L174 R180 Q181D173-H177 VanDerWaalsContact O-CB 3.31Å; D173-H177 WeakPolarHBondContact O-CB 3.48Å; D173-H177 PolarHBondContact O-CD2 2.96Å; D173-H177 PolarHBondContact O-N 3.04Å; L174-H177 PolarHBondContact O-N 3.36Å; H177-R180 PolarHBondContact O-N 3.21Å; H177-Q181 WeakPolarHBondContact O-CG 3.12Å; H177-Q181 PolarHBondContact O-N 2.9Å
178R93.3Very high83.4Confident164 Ų164100.7 Ų100.762%0.61953%0.525SS*.Hα-helixtrans-63.1-47.9176.1-177.2179.7175.3163.94.5111.9L174 E175 R180 Q181 E182L174-R178 WeakPolarHBondContact O-CB 3.28Å; L174-R178 PolarHBondContact O-N 2.94Å; E175-R178 PolarHBondContact O-N 3.32Å; R178-R180 VanDerWaalsContact C-N 3.29Å; R178-R180 PolarHBondContact O-N 3.34Å; R178-Q181 WeakPolarHBondContact O-CB 3.28Å; R178-Q181 PolarHBondContact O-N 2.96Å; R178-Q181 VanDerWaalsContact O-N 3.13Å; R178-E182 WeakPolarHBondContact CG-OE1 3.49Å; R178-E182 IonicContact CZ-OE1 3.54Å; R178-E182 IonicContact NE-OE1 2.66Å; R178-E182 PolarHBondContact NE-OE1 2.9Å; R178-E182 IonicContact NH2-OE1 3.95Å; R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.28Å
179L91.4Very high85.3Confident88 Ų88104.5 Ų104.546%0.46153%0.529SS..Hα-helixtrans-62.8-35.5177.4-72.4170.4000112E175 L183E175-L179 HydrophobicContact CG-CD1 4.04Å; E175-L179 HydrophobicContact CG-CG 4.46Å; E175-L179 VanDerWaalsContact O-CB 3.3Å; E175-L179 WeakPolarHBondContact O-CB 3.24Å; E175-L179 WeakPolarHBondContact O-CG 3.3Å; E175-L179 PolarHBondContact O-N 2.85Å; L179-L183 WeakPolarHBondContact O-CB 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.45Å; L179-L183 PolarHBondContact O-N 3.41Å
180R92.7Very high86.9Confident148 Ų148110.2 Ų110.256%0.55854%0.543SS*.Hα-helixtrans-65.7-40.1172.8-78.3172177.5163.90.1112.3M176 H177 R178 A184M176-R180 VanDerWaalsContact O-CB 3.3Å; M176-R180 WeakPolarHBondContact O-CB 3.29Å; M176-R180 WeakPolarHBondContact O-CG 3.46Å; M176-R180 PolarHBondContact O-N 3.24Å; M176-R180 PolarHBondContact SD-NH1 2.96Å; M176-R180 PolarHBondContact SD-NH2 2.84Å; H177-R180 PolarHBondContact O-N 3.21Å; R178-R180 VanDerWaalsContact C-N 3.29Å; R178-R180 PolarHBondContact O-N 3.34Å; R180-A184 WeakPolarHBondContact O-CB 3.29Å; R180-A184 PolarHBondContact O-N 2.98Å
181Q94.8Very high88.2Confident144 Ų144106.7 Ų106.767%0.67353%0.53SS*.Hα-helixtrans-67-43.7174.7-75.3179-5.600111.8H177 R178 L183 A184 A185H177-Q181 WeakPolarHBondContact O-CG 3.12Å; H177-Q181 PolarHBondContact O-N 2.9Å; R178-Q181 WeakPolarHBondContact O-CB 3.28Å; R178-Q181 PolarHBondContact O-N 2.96Å; R178-Q181 VanDerWaalsContact O-N 3.13Å; Q181-L183 PolarHBondContact O-N 3.46Å; Q181-A184 PolarHBondContact O-N 3.38Å; Q181-A185 PolarHBondContact O-N 2.81Å
182E93.3Very high89.6Confident87 Ų87105.9 Ų105.941%0.40753%0.527SS..Hα-helixtrans-62.6-42.1176.3-71.6175.5-170.400111.2R178 A184 A185 V186R178-E182 WeakPolarHBondContact CG-OE1 3.49Å; R178-E182 IonicContact CZ-OE1 3.54Å; R178-E182 IonicContact NE-OE1 2.66Å; R178-E182 PolarHBondContact NE-OE1 2.9Å; R178-E182 IonicContact NH2-OE1 3.95Å; R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.28Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.28Å; E182-A185 PolarHBondContact O-N 3.22Å; E182-V186 WeakPolarHBondContact O-CB 3.4Å; E182-V186 VanDerWaalsContact O-CG2 3.27Å; E182-V186 WeakPolarHBondContact O-CG2 3.47Å; E182-V186 PolarHBondContact O-N 3.03Å
183L91.8Very high90.5Very high126 Ų126109.4 Ų109.466%0.6654%0.541SS*.Hα-helixtrans-63.1-37.9173.5-80.6171.9000112.9L179 Q181 K187L179-L183 WeakPolarHBondContact O-CB 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.45Å; L179-L183 PolarHBondContact O-N 3.41Å; Q181-L183 PolarHBondContact O-N 3.46Å; L183-K187 VanDerWaalsContact O-CB 3.24Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.32Å
184A94.4Very high91.2Very high61 Ų61108.4 Ų108.450%0.50454%0.543SS..Hα-helixtrans-66.1-45.6176.800000111.5R180 Q181 E182 K187 E188R180-A184 WeakPolarHBondContact O-CB 3.29Å; R180-A184 PolarHBondContact O-N 2.98Å; Q181-A184 PolarHBondContact O-N 3.38Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.28Å; A184-K187 PolarHBondContact O-N 2.96Å; A184-E188 PolarHBondContact O-N 2.92Å
185A95Very high91.6Very high47 Ų47107.7 Ų107.739%0.38854%0.535SS..Hα-helixtrans-62.7-46.4177.400000111.9Q181 E182 K187 E188 E189Q181-A185 PolarHBondContact O-N 2.81Å; E182-A185 PolarHBondContact O-N 3.22Å; A185-K187 VanDerWaalsContact C-N 3.28Å; A185-K187 PolarHBondContact O-N 2.96Å; A185-E188 PolarHBondContact O-N 2.7Å; A185-E189 PolarHBondContact O-N 3.34Å
186V95.1Very high91.8Very high89 Ų89104.5 Ų104.554%0.53953%0.528SS..Hα-helixtrans-63.6-35.5177.2171.30000111.4E182 K190E182-V186 WeakPolarHBondContact O-CB 3.4Å; E182-V186 VanDerWaalsContact O-CG2 3.27Å; E182-V186 WeakPolarHBondContact O-CG2 3.47Å; E182-V186 PolarHBondContact O-N 3.03Å; V186-K190 VanDerWaalsContact O-CB 3.28Å; V186-K190 WeakPolarHBondContact O-CB 3.35Å; V186-K190 PolarHBondContact O-N 3.08Å
187K93.4Very high91.7Very high133 Ų133106.5 Ų106.558%0.57854%0.539SS*.Hα-helixtrans-66.1-42.5175.3-172.3-177175.1-171.20111.3L183 A184 A185 K190 E191L183-K187 VanDerWaalsContact O-CB 3.24Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.32Å; A184-K187 PolarHBondContact O-N 2.96Å; A185-K187 VanDerWaalsContact C-N 3.28Å; A185-K187 PolarHBondContact O-N 2.96Å; K187-K190 PolarHBondContact O-N 2.78Å; K187-E191 WeakPolarHBondContact CE-OE1 2.93Å; K187-E191 WeakPolarHBondContact O-CG 3.41Å; K187-E191 PolarHBondContact O-N 2.86Å
188E94.2Very high91.4Very high145 Ų145107.2 Ų107.268%0.67854%0.543SS*.Hα-helixtrans-64.3-45176.2-172.2176.9-178.600111.8A184 A185 K190 E191 A192A184-E188 PolarHBondContact O-N 2.92Å; A185-E188 PolarHBondContact O-N 2.7Å; E188-K190 VanDerWaalsContact C-N 3.32Å; E188-K190 PolarHBondContact O-N 3.28Å; E188-E191 PolarHBondContact O-N 3.32Å; E188-A192 WeakPolarHBondContact O-CB 3.35Å; E188-A192 PolarHBondContact O-N 3.46Å
189E93.6Very high91Very high132 Ų132108.2 Ų108.262%0.61755%0.547SS*.Hα-helixtrans-59.9-42.5174.1-74.4-174.5173.600111.7A185 E191 A192 M193A185-E189 PolarHBondContact O-N 3.34Å; E189-E191 PolarHBondContact O-N 3.41Å; E189-A192 PolarHBondContact O-N 3.16Å; E189-M193 WeakPolarHBondContact O-CB 3.32Å; E189-M193 VanDerWaalsContact O-CG 3.25Å; E189-M193 WeakPolarHBondContact O-CG 3.38Å; E189-M193 PolarHBondContact O-N 2.62Å
190K90.4Very high90.3Very high156 Ų156110 Ų11068%0.67856%0.556SS**Hα-helixtrans-61.3-43.3175.7-177.1-175.1174.3-1760111.6V186 K187 E188 M193 A194V186-K190 VanDerWaalsContact O-CB 3.28Å; V186-K190 WeakPolarHBondContact O-CB 3.35Å; V186-K190 PolarHBondContact O-N 3.08Å; K187-K190 PolarHBondContact O-N 2.78Å; E188-K190 VanDerWaalsContact C-N 3.32Å; E188-K190 PolarHBondContact O-N 3.28Å; K190-M193 PolarHBondContact O-N 2.91Å; K190-A194 VanDerWaalsContact O-CB 3.31Å; K190-A194 WeakPolarHBondContact O-CB 3.43Å; K190-A194 PolarHBondContact O-N 2.76Å
191E92.9Very high89.4Confident91 Ų91110.5 Ų110.543%0.42557%0.565SS.*Hα-helixtrans-66.7-39176.9-74.8178.8-161.800112.1K187 E188 E189 A194 K195K187-E191 WeakPolarHBondContact CE-OE1 2.93Å; K187-E191 WeakPolarHBondContact O-CG 3.41Å; K187-E191 PolarHBondContact O-N 2.86Å; E188-E191 PolarHBondContact O-N 3.32Å; E189-E191 PolarHBondContact O-N 3.41Å; E191-A194 PolarHBondContact O-N 2.65Å; E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 VanDerWaalsContact O-CG 3.32Å; E191-K195 WeakPolarHBondContact O-CG 3.28Å; E191-K195 PolarHBondContact O-N 3.03Å
192A92.8Very high87.8Confident56 Ų56111.2 Ų111.246%0.46357%0.57SS.*Hα-helixtrans-64.6-44.4175.200000111.6E188 E189 K195 A196E188-A192 WeakPolarHBondContact O-CB 3.35Å; E188-A192 PolarHBondContact O-N 3.46Å; E189-A192 PolarHBondContact O-N 3.16Å; A192-K195 PolarHBondContact O-N 2.88Å; A192-A196 WeakPolarHBondContact O-CB 3.24Å; A192-A196 PolarHBondContact O-N 2.79Å
193M88.5Confident86.1Confident134 Ų134111.3 Ų111.366%0.6658%0.581SS**Hα-helixtrans-64.8-39.7175.2-71.4-66.6-170.700111.9E189 K190 A196 L197E189-M193 WeakPolarHBondContact O-CB 3.32Å; E189-M193 VanDerWaalsContact O-CG 3.25Å; E189-M193 WeakPolarHBondContact O-CG 3.38Å; E189-M193 PolarHBondContact O-N 2.62Å; K190-M193 PolarHBondContact O-N 2.91Å; M193-A196 PolarHBondContact O-N 2.77Å; M193-L197 WeakPolarHBondContact O-CB 3.46Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 2.84Å
194A89.1Confident84.2Confident53 Ų53108.2 Ų108.244%0.43858%0.579SS.*Hα-helixtrans-61.9-46.2174.900000111.6K190 E191 A196 L197 E198K190-A194 VanDerWaalsContact O-CB 3.31Å; K190-A194 WeakPolarHBondContact O-CB 3.43Å; K190-A194 PolarHBondContact O-N 2.76Å; E191-A194 PolarHBondContact O-N 2.65Å; A194-A196 VanDerWaalsContact C-N 3.32Å; A194-A196 PolarHBondContact O-N 2.86Å; A194-L197 PolarHBondContact O-N 3.48Å; A194-E198 WeakPolarHBondContact O-CB 3.38Å; A194-E198 PolarHBondContact O-N 3.3Å
195K89.6Confident82.1Confident112 Ų112111.2 Ų111.249%0.48760%0.596SS.*Hα-helixtrans-63.5-36.5174.7-72169-176.4167.10112.3E191 A192 R199E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 VanDerWaalsContact O-CG 3.32Å; E191-K195 WeakPolarHBondContact O-CG 3.28Å; E191-K195 PolarHBondContact O-N 3.03Å; A192-K195 PolarHBondContact O-N 2.88Å; K195-R199 WeakPolarHBondContact O-CB 3.27Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.42Å; K195-R199 PolarHBondContact O-N 3.36Å
196A87.8Confident80.1Confident48 Ų48111.6 Ų111.640%0.39761%0.605SS.*Hα-helixtrans-67-42.4175.900000111.6A192 M193 A194 R199 L200A192-A196 WeakPolarHBondContact O-CB 3.24Å; A192-A196 PolarHBondContact O-N 2.79Å; M193-A196 PolarHBondContact O-N 2.77Å; A194-A196 VanDerWaalsContact C-N 3.32Å; A194-A196 PolarHBondContact O-N 2.86Å; A196-R199 PolarHBondContact O-N 3.06Å; A196-L200 WeakPolarHBondContact O-CB 3.5Å; A196-L200 PolarHBondContact O-N 3.07Å
197L82.2Confident78.1Confident115 Ų115113.9 Ų113.960%0.60263%0.625SS**Hα-helixtrans-63.4-41.7174.1-77.4172.6000112M193 A194 L200 Q201M193-L197 WeakPolarHBondContact O-CB 3.46Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 2.84Å; A194-L197 PolarHBondContact O-N 3.48Å; L197-L200 CarbonylContact O-C 3.57Å; L197-L200 PolarHBondContact O-N 3.4Å; L197-Q201 WeakPolarHBondContact O-CB 3.22Å; L197-Q201 PolarHBondContact O-N 3.18Å
198E83.3Confident76.3Confident123 Ų123111.1 Ų111.158%0.57563%0.634SS**Hα-helixtrans-62.4-45176.2-167.1175.8-164.500111A194 L200 Q201 M202A194-E198 WeakPolarHBondContact O-CB 3.38Å; A194-E198 PolarHBondContact O-N 3.3Å; E198-L200 VanDerWaalsContact C-N 3.33Å; E198-L200 PolarHBondContact O-N 2.85Å; E198-Q201 WeakPolarHBondContact O-CB 3.4Å; E198-Q201 PolarHBondContact O-N 2.93Å; E198-M202 VanDerWaalsContact O-CG 3.24Å; E198-M202 WeakPolarHBondContact O-CG 3.34Å; E198-M202 PolarHBondContact O-N 3.44Å
199R84.4Confident74.3Confident185 Ų185111.7 Ų111.770%0.69864%0.641SS**Hα-helixtrans-61.4-39.1172.8-72170.9-176.2174.21.1112.7K195 A196 M202 S203K195-R199 WeakPolarHBondContact O-CB 3.27Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.42Å; K195-R199 PolarHBondContact O-N 3.36Å; A196-R199 PolarHBondContact O-N 3.06Å; R199-M202 PolarHBondContact O-N 3.43Å; R199-S203 VanDerWaalsContact O-CB 3.25Å; R199-S203 WeakPolarHBondContact O-CB 3.45Å; R199-S203 PolarHBondContact O-N 3.03Å
200L77.3Confident72.6Confident126 Ų126107.8 Ų107.866%0.6664%0.636SS**Hα-helixtrans-70.7-34.4177.6-143.387.2000111.7A196 L197 E198 S203 G204A196-L200 WeakPolarHBondContact O-CB 3.5Å; A196-L200 PolarHBondContact O-N 3.07Å; L197-L200 CarbonylContact O-C 3.57Å; L197-L200 PolarHBondContact O-N 3.4Å; E198-L200 VanDerWaalsContact C-N 3.33Å; E198-L200 PolarHBondContact O-N 2.85Å; L200-S203 CarbonylContact O-C 3.6Å; L200-S203 PolarHBondContact O-N 2.88Å; L200-G204 WeakPolarHBondContact O-CA 3.4Å; L200-G204 PolarHBondContact O-N 3.01Å
201Q72.9Confident70.9Confident157 Ų157110.3 Ų110.373%0.73464%0.641SS**Hα-helixtrans-65.3-42.4171.5-105.7176.8-1100111.3L197 E198 S203 G204L197-Q201 WeakPolarHBondContact O-CB 3.22Å; L197-Q201 PolarHBondContact O-N 3.18Å; E198-Q201 WeakPolarHBondContact O-CB 3.4Å; E198-Q201 PolarHBondContact O-N 2.93Å; Q201-S203 VanDerWaalsContact C-N 3.33Å; Q201-G204 PolarHBondContact O-N 3.31Å
202M61.8Low69.3Low160 Ų160108.1 Ų108.179%0.78864%0.643SS**Hα-helixtrans-71.1-27.1176.8-64.8-57.1-67.600113E198 R199E198-M202 VanDerWaalsContact O-CG 3.24Å; E198-M202 WeakPolarHBondContact O-CG 3.34Å; E198-M202 PolarHBondContact O-N 3.44Å; R199-M202 PolarHBondContact O-N 3.43Å
203S57.4Low68Low89 Ų89108.1 Ų108.162%0.62264%0.635SS**Hα-helixtrans-94.1-12.2176.3-173.70000113.6R199 L200 Q201 S205R199-S203 VanDerWaalsContact O-CB 3.25Å; R199-S203 WeakPolarHBondContact O-CB 3.45Å; R199-S203 PolarHBondContact O-N 3.03Å; L200-S203 CarbonylContact O-C 3.6Å; L200-S203 PolarHBondContact O-N 2.88Å; Q201-S203 VanDerWaalsContact C-N 3.33Å; S203-S205 VanDerWaalsContact C-N 3.27Å; S203-S205 PolarHBondContact O-N 3.23Å
204G53.1Low67.1Low61 Ų61110 Ų11063%0.62964%0.635SS**THydrogen-bonded Turntrans-83.210.8-16900000115.3L200 Q201 G206L200-G204 WeakPolarHBondContact O-CA 3.4Å; L200-G204 PolarHBondContact O-N 3.01Å; Q201-G204 PolarHBondContact O-N 3.31Å; G204-G206 VanDerWaalsContact C-N 3.32Å
205S49.6Very low66.6Low123 Ų123115.8 Ų115.886%0.8665%0.646SS**THydrogen-bonded Turntrans-87.95.8170.4-57.40000113.6S203S203-S205 VanDerWaalsContact C-N 3.27Å; S203-S205 PolarHBondContact O-N 3.23Å
206G51.9Low66Low56 Ų56114.7 Ų114.758%0.57765%0.649SS**SBendtrans-145.9100.5-176.400000115.1G204G204-G206 VanDerWaalsContact C-N 3.32Å
207S54Low65.8Low137 Ų137117.6 Ų117.696%0.95865%0.652SS**  trans68.1124145-149.20000120.1
208G56.7Low66.1Low75 Ų75115.1 Ų115.177%0.77364%0.639SS**  trans119.738.415000000119.6
209L52.2Low66.5Low156 Ų156113.2 Ų113.282%0.81764%0.636SS**  trans-93.9114.4173-75.5160.3000111D213L209-D213 HydrophobicContact CD2-CB 4.41Å
210G55.9Low66.6Low50 Ų50107.6 Ų107.652%0.51562%0.622SS.*SBendtrans-165.6-34171.600000116.4
211R55.8Low67.3Low209 Ų209108 Ų10879%0.78962%0.615SS**SBendtrans-118.4-28.1-170.5-134.5-176.3-66.9-94.83.8116
212G58.7Low68.3Low45 Ų45103.8 Ų103.846%0.46460%0.6SS.*Hα-helixtrans-81.6-28.4173.800000113.6W214 R215 V216G212-W214 PolarHBondContact O-N 3.08Å; G212-R215 PolarHBondContact O-N 3.47Å; G212-V216 WeakPolarHBondContact O-CG2 3.44Å; G212-V216 PolarHBondContact O-N 3.37Å
213D66.6Low69.8Low56 Ų56100.8 Ų100.830%0.29959%0.586SS.*Hα-helixtrans-66.6-33.7-174.3-163.928000112.8L209 K217L209-D213 HydrophobicContact CD2-CB 4.41Å; D213-K217 VanDerWaalsContact CG-CE 3.46Å; D213-K217 WeakPolarHBondContact O-CB 3.28Å; D213-K217 WeakPolarHBondContact O-CD 3.48Å; D213-K217 WeakPolarHBondContact O-CG 3.4Å; D213-K217 PolarHBondContact O-N 2.87Å; D213-K217 WeakPolarHBondContact OD1-CE 3.45Å; D213-K217 IonicContact OD1-NZ 3.45Å; D213-K217 WeakPolarHBondContact OD2-CE 3.36Å; D213-K217 IonicContact OD2-NZ 3.33Å; D213-K217 PolarHBondContact OD2-NZ 2.87Å
214W68.2Low71.4Confident175 Ų175101.9 Ų101.966%0.66358%0.582SS**Hα-helixtrans-67.8-43.8177.3-84.291.7000113.7G212 V216 K217 D218G212-W214 PolarHBondContact O-N 3.08Å; W214-V216 VanDerWaalsContact C-N 3.33Å; W214-V216 PolarHBondContact O-N 3.26Å; W214-K217 PolarHBondContact O-N 2.85Å; W214-D218 PolarHBondContact O-N 2.89Å
215R78.6Confident73.4Confident173 Ų173103.3 Ų103.365%0.65357%0.572SS**Hα-helixtrans-67.1-36.9178.4-74.1-172.2-75.1-103.63.5112G212 D218 V219G212-R215 PolarHBondContact O-N 3.47Å; R215-D218 PolarHBondContact O-N 2.81Å; R215-V219 WeakPolarHBondContact O-CG2 3.45Å; R215-V219 PolarHBondContact O-N 2.85Å; R215-V219 VanDerWaalsContact O-N 3.1Å
216V78.5Confident75.5Confident90 Ų90102.9 Ų102.955%0.54556%0.557SS.*Hα-helixtrans-66.8-44174.7175.70000110.3G212 W214 D218 V219 V220G212-V216 WeakPolarHBondContact O-CG2 3.44Å; G212-V216 PolarHBondContact O-N 3.37Å; W214-V216 VanDerWaalsContact C-N 3.33Å; W214-V216 PolarHBondContact O-N 3.26Å; V216-D218 VanDerWaalsContact C-N 3.31Å; V216-D218 PolarHBondContact O-N 2.89Å; V216-V219 PolarHBondContact O-N 3.5Å; V216-V220 HydrophobicContact CG1-CG2 4.31Å; V216-V220 WeakPolarHBondContact O-CB 3.1Å; V216-V220 VanDerWaalsContact O-CG2 3.26Å; V216-V220 WeakPolarHBondContact O-CG2 3.07Å; V216-V220 PolarHBondContact O-N 3.25Å
217K83.4Confident77.5Confident108 Ų108104.1 Ų104.147%0.4755%0.55SS..Hα-helixtrans-59.4-39.2174.1-75.7169.8-174.2170.70112.9D213 W214 V220 R221D213-K217 VanDerWaalsContact CG-CE 3.46Å; D213-K217 WeakPolarHBondContact O-CB 3.28Å; D213-K217 WeakPolarHBondContact O-CD 3.48Å; D213-K217 WeakPolarHBondContact O-CG 3.4Å; D213-K217 PolarHBondContact O-N 2.87Å; D213-K217 WeakPolarHBondContact OD1-CE 3.45Å; D213-K217 IonicContact OD1-NZ 3.45Å; D213-K217 WeakPolarHBondContact OD2-CE 3.36Å; D213-K217 IonicContact OD2-NZ 3.33Å; D213-K217 PolarHBondContact OD2-NZ 2.87Å; W214-K217 PolarHBondContact O-N 2.85Å; K217-V220 PolarHBondContact O-N 3.39Å; K217-R221 WeakPolarHBondContact O-CB 3.47Å; K217-R221 PolarHBondContact O-N 2.98Å
218D88.1Confident79.5Confident63 Ų63102.8 Ų102.834%0.33753%0.531SS..Hα-helixtrans-65-45.1176.1-75.3-29.4000112.2W214 R215 V216 R221 T222W214-D218 PolarHBondContact O-N 2.89Å; R215-D218 PolarHBondContact O-N 2.81Å; V216-D218 VanDerWaalsContact C-N 3.31Å; V216-D218 PolarHBondContact O-N 2.89Å; D218-R221 PolarHBondContact O-N 2.82Å; D218-R221 IonicContact OD1-CZ 3.93Å; D218-R221 IonicContact OD1-NE 2.88Å; D218-R221 IonicContact OD1-NH2 2.77Å; D218-R221 PolarHBondContact OD1-NH2 3.01Å; D218-T222 WeakPolarHBondContact O-CG2 3.49Å; D218-T222 PolarHBondContact O-N 3.33Å; D218-T222 PolarHBondContact O-OG1 3.4Å
219V90.9Very high81.3Confident84 Ų84104.9 Ų104.951%0.50952%0.518SS..Hα-helixtrans-63.8-44.8176.3173.80000110.9R215 V216 R221 T222 L223R215-V219 WeakPolarHBondContact O-CG2 3.45Å; R215-V219 PolarHBondContact O-N 2.85Å; R215-V219 VanDerWaalsContact O-N 3.1Å; V216-V219 PolarHBondContact O-N 3.5Å; V219-R221 PolarHBondContact O-N 3.27Å; V219-T222 WeakPolarHBondContact CA-OG1 3.44Å; V219-T222 PolarHBondContact O-N 3.5Å; V219-T222 PolarHBondContact O-OG1 2.94Å; V219-L223 HydrophobicContact CG1-CD1 3.98Å; V219-L223 HydrophobicContact CG1-CG 4.42Å; V219-L223 WeakPolarHBondContact O-CG 3.47Å; V219-L223 PolarHBondContact O-N 2.91Å
220V87.7Confident83.2Confident66 Ų66102.4 Ų102.440%0.450%0.503SS..Hα-helixtrans-58.3-47.7176.6170.50000110.8V216 K217 T222 L223 E224V216-V220 HydrophobicContact CG1-CG2 4.31Å; V216-V220 WeakPolarHBondContact O-CB 3.1Å; V216-V220 VanDerWaalsContact O-CG2 3.26Å; V216-V220 WeakPolarHBondContact O-CG2 3.07Å; V216-V220 PolarHBondContact O-N 3.25Å; K217-V220 PolarHBondContact O-N 3.39Å; V220-T222 VanDerWaalsContact C-N 3.34Å; V220-T222 PolarHBondContact O-N 3.44Å; V220-L223 PolarHBondContact O-N 2.9Å; V220-E224 HydrophobicContact CG1-CG 4.36Å; V220-E224 WeakPolarHBondContact O-CG 3.39Å; V220-E224 PolarHBondContact O-N 2.98Å
221R92.4Very high84.9Confident136 Ų136108.1 Ų108.151%0.51351%0.509SS..Hα-helixtrans-58.2-43.7176.2177.9173.158.1175-0.4112.3K217 D218 V219 L223 E224 E225K217-R221 WeakPolarHBondContact O-CB 3.47Å; K217-R221 PolarHBondContact O-N 2.98Å; D218-R221 PolarHBondContact O-N 2.82Å; D218-R221 IonicContact OD1-CZ 3.93Å; D218-R221 IonicContact OD1-NE 2.88Å; D218-R221 IonicContact OD1-NH2 2.77Å; D218-R221 PolarHBondContact OD1-NH2 3.01Å; V219-R221 PolarHBondContact O-N 3.27Å; R221-L223 PolarHBondContact O-N 3.37Å; R221-E224 PolarHBondContact O-N 3.06Å; R221-E225 WeakPolarHBondContact O-CG 3.44Å; R221-E225 PolarHBondContact O-N 3.19Å
222T93.2Very high86.8Confident67 Ų6799.7 Ų99.741%0.41148%0.484SS..Hα-helixtrans-66-36.6177.558.70000113.1D218 V219 V220 E225 Q226D218-T222 WeakPolarHBondContact O-CG2 3.49Å; D218-T222 PolarHBondContact O-N 3.33Å; D218-T222 PolarHBondContact O-OG1 3.4Å; V219-T222 WeakPolarHBondContact CA-OG1 3.44Å; V219-T222 PolarHBondContact O-N 3.5Å; V219-T222 PolarHBondContact O-OG1 2.94Å; V220-T222 VanDerWaalsContact C-N 3.34Å; V220-T222 PolarHBondContact O-N 3.44Å; T222-E225 PolarHBondContact O-N 2.58Å; T222-Q226 WeakPolarHBondContact O-CG 3.2Å; T222-Q226 PolarHBondContact O-N 3.08Å
223L92.6Very high88.6Confident97 Ų97103.2 Ų103.251%0.50849%0.486SS..Hα-helixtrans-69.2-39.5175.8-71.8172.2000111.6V219 V220 R221 Q226 L227V219-L223 HydrophobicContact CG1-CD1 3.98Å; V219-L223 HydrophobicContact CG1-CG 4.42Å; V219-L223 WeakPolarHBondContact O-CG 3.47Å; V219-L223 PolarHBondContact O-N 2.91Å; V220-L223 PolarHBondContact O-N 2.9Å; R221-L223 PolarHBondContact O-N 3.37Å; L223-Q226 PolarHBondContact O-N 3.25Å; L223-L227 VanDerWaalsContact O-CB 3.29Å; L223-L227 WeakPolarHBondContact O-CB 3.45Å; L223-L227 PolarHBondContact O-N 2.71Å
224E91.7Very high89.8Confident113 Ų113103.6 Ų103.653%0.52849%0.493SS..Hα-helixtrans-60.6-44.7173.4-73.6175.3167.900111.4V220 R221 Q226 L227 I228V220-E224 HydrophobicContact CG1-CG 4.36Å; V220-E224 WeakPolarHBondContact O-CG 3.39Å; V220-E224 PolarHBondContact O-N 2.98Å; R221-E224 PolarHBondContact O-N 3.06Å; E224-Q226 PolarHBondContact O-N 2.78Å; E224-L227 PolarHBondContact O-N 2.85Å; E224-I228 VanDerWaalsContact O-CG1 3.28Å; E224-I228 WeakPolarHBondContact O-CG1 3.33Å; E224-I228 PolarHBondContact O-N 3.02Å
225E94.8Very high91Very high90 Ų90101.8 Ų101.842%0.42149%0.492SS..Hα-helixtrans-62.9-40.7175.6-74.1176.8-160.900112.7R221 T222 K229R221-E225 WeakPolarHBondContact O-CG 3.44Å; R221-E225 PolarHBondContact O-N 3.19Å; T222-E225 PolarHBondContact O-N 2.58Å; E225-K229 WeakPolarHBondContact O-CB 3.47Å; E225-K229 WeakPolarHBondContact O-CD 3.21Å; E225-K229 VanDerWaalsContact O-CG 3.26Å; E225-K229 WeakPolarHBondContact O-CG 3.46Å; E225-K229 PolarHBondContact O-N 2.89Å
226Q93.9Very high91.8Very high115 Ų115102.1 Ų102.154%0.53749%0.493SS..Hα-helixtrans-66.2-40.4176-74.7-178.8-1.700111.7T222 L223 E224 K229 E230T222-Q226 WeakPolarHBondContact O-CG 3.2Å; T222-Q226 PolarHBondContact O-N 3.08Å; L223-Q226 PolarHBondContact O-N 3.25Å; E224-Q226 PolarHBondContact O-N 2.78Å; Q226-K229 PolarHBondContact O-N 3.48Å; Q226-E230 PolarHBondContact O-N 2.84Å
227L94.8Very high92.5Very high82 Ų8299.8 Ų99.843%0.42948%0.481SS..Hα-helixtrans-65.4-39.6177.1179.4144.1000111.8L223 E224 E230 R231L223-L227 VanDerWaalsContact O-CB 3.29Å; L223-L227 WeakPolarHBondContact O-CB 3.45Å; L223-L227 PolarHBondContact O-N 2.71Å; E224-L227 PolarHBondContact O-N 2.85Å; L227-E230 PolarHBondContact O-N 3.36Å; L227-R231 VanDerWaalsContact CD2-CZ 3.43Å; L227-R231 WeakPolarHBondContact O-CB 3.36Å; L227-R231 VanDerWaalsContact O-CG 3.28Å; L227-R231 WeakPolarHBondContact O-CG 3.48Å; L227-R231 PolarHBondContact O-N 3.05Å
228I94.2Very high92.8Very high109 Ų10997.6 Ų97.656%0.55948%0.477SS*.Hα-helixtrans-64.4-42.9173.2-67.4164.2000110.6E224 R231 A232E224-I228 VanDerWaalsContact O-CG1 3.28Å; E224-I228 WeakPolarHBondContact O-CG1 3.33Å; E224-I228 PolarHBondContact O-N 3.02Å; I228-R231 PolarHBondContact O-N 2.94Å; I228-A232 WeakPolarHBondContact O-CB 3.4Å; I228-A232 PolarHBondContact O-N 3.31Å
229K95.2Very high93.1Very high119 Ų11997.7 Ų97.752%0.51748%0.483SS..Hα-helixtrans-62.9-44177.3-74.1166.4-175.1164.40111.9E225 Q226 A232 K233E225-K229 WeakPolarHBondContact O-CB 3.47Å; E225-K229 WeakPolarHBondContact O-CD 3.21Å; E225-K229 VanDerWaalsContact O-CG 3.26Å; E225-K229 WeakPolarHBondContact O-CG 3.46Å; E225-K229 PolarHBondContact O-N 2.89Å; Q226-K229 PolarHBondContact O-N 3.48Å; K229-A232 PolarHBondContact O-N 3.45Å; K229-K233 WeakPolarHBondContact O-CG 3.46Å; K229-K233 PolarHBondContact O-N 2.8Å
230E93.1Very high93.4Very high104 Ų10499.8 Ų99.849%0.48649%0.485SS..Hα-helixtrans-67.7-40.8176.9-77.9-54.3129.400112.3Q226 L227 A232 K233 S234Q226-E230 PolarHBondContact O-N 2.84Å; L227-E230 PolarHBondContact O-N 3.36Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.27Å; E230-K233 PolarHBondContact O-N 2.86Å; E230-K233 WeakPolarHBondContact OE1-CD 3.35Å; E230-K233 IonicContact OE1-NZ 3.1Å; E230-K233 PolarHBondContact OE1-NZ 3.23Å; E230-S234 VanDerWaalsContact O-CB 3.3Å; E230-S234 WeakPolarHBondContact O-CB 3.3Å; E230-S234 PolarHBondContact O-N 2.83Å
231R91.3Very high93.8Very high170 Ų170104.1 Ų104.164%0.64249%0.494SS*.Hα-helixtrans-58.6-44.1171.4-77-179.6178.5175.51.4111.6L227 I228 S234 Q235L227-R231 VanDerWaalsContact CD2-CZ 3.43Å; L227-R231 WeakPolarHBondContact O-CB 3.36Å; L227-R231 VanDerWaalsContact O-CG 3.28Å; L227-R231 WeakPolarHBondContact O-CG 3.48Å; L227-R231 PolarHBondContact O-N 3.05Å; I228-R231 PolarHBondContact O-N 2.94Å; R231-S234 PolarHBondContact O-N 3.33Å; R231-Q235 WeakPolarHBondContact O-CB 3.32Å; R231-Q235 PolarHBondContact O-N 2.9Å
232A94.7Very high93.9Very high32 Ų32100.6 Ų100.626%0.26449%0.49SS..Hα-helixtrans-65.7-40.5177.900000112.6I228 K229 E230 R236I228-A232 WeakPolarHBondContact O-CB 3.4Å; I228-A232 PolarHBondContact O-N 3.31Å; K229-A232 PolarHBondContact O-N 3.45Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.27Å; A232-R236 VanDerWaalsContact O-CG 3.24Å; A232-R236 WeakPolarHBondContact O-CG 3.34Å; A232-R236 PolarHBondContact O-N 3.2Å
233K96.1Very high94.1Very high118 Ų118103 Ų10351%0.51350%0.496SS..Hα-helixtrans-65.3-47174.7-72.7177.1-166.6168.10111.7K229 E230 Q235 R236 S237K229-K233 WeakPolarHBondContact O-CG 3.46Å; K229-K233 PolarHBondContact O-N 2.8Å; E230-K233 PolarHBondContact O-N 2.86Å; E230-K233 WeakPolarHBondContact OE1-CD 3.35Å; E230-K233 IonicContact OE1-NZ 3.1Å; E230-K233 PolarHBondContact OE1-NZ 3.23Å; K233-Q235 VanDerWaalsContact C-N 3.34Å; K233-Q235 PolarHBondContact O-N 3.04Å; K233-R236 PolarHBondContact O-N 3.45Å; K233-S237 PolarHBondContact O-N 3.23Å
234S92.7Very high94.3Very high64 Ų64102.7 Ų102.745%0.44849%0.492SS..Hα-helixtrans-58.9-47.4176.9-177.60000110.5E230 R231 R236 S237 T238E230-S234 VanDerWaalsContact O-CB 3.3Å; E230-S234 WeakPolarHBondContact O-CB 3.3Å; E230-S234 PolarHBondContact O-N 2.83Å; R231-S234 PolarHBondContact O-N 3.33Å; S234-R236 VanDerWaalsContact C-N 3.34Å; S234-R236 PolarHBondContact O-N 2.84Å; S234-S237 WeakPolarHBondContact O-CA 3.24Å; S234-S237 WeakPolarHBondContact O-CB 3.4Å; S234-S237 PolarHBondContact O-N 2.93Å; S234-S237 PolarHBondContact O-OG 3.5Å; S234-T238 WeakPolarHBondContact O-CG2 3.43Å; S234-T238 PolarHBondContact O-N 3.15Å; S234-T238 PolarHBondContact O-OG1 2.9Å
235Q94.2Very high94.4Very high138 Ų138103 Ų10365%0.64549%0.494SS*.Hα-helixtrans-61.4-37.1177.3-171.6171.519.800113.3R231 K233 T238 S239R231-Q235 WeakPolarHBondContact O-CB 3.32Å; R231-Q235 PolarHBondContact O-N 2.9Å; K233-Q235 VanDerWaalsContact C-N 3.34Å; K233-Q235 PolarHBondContact O-N 3.04Å; Q235-T238 WeakPolarHBondContact CA-OG1 3.45Å; Q235-T238 PolarHBondContact O-OG1 3.15Å; Q235-S239 WeakPolarHBondContact O-CB 3.36Å; Q235-S239 PolarHBondContact O-N 2.88Å; Q235-S239 PolarHBondContact O-OG 3.46Å
236R95.3Very high94.5Very high179 Ų179106 Ų10668%0.67550%0.501SS*.Hα-helixtrans-68.2-37.5172.4-71.7171.6-168.6175.73.8112A232 K233 S234 S239 K240A232-R236 VanDerWaalsContact O-CG 3.24Å; A232-R236 WeakPolarHBondContact O-CG 3.34Å; A232-R236 PolarHBondContact O-N 3.2Å; K233-R236 PolarHBondContact O-N 3.45Å; S234-R236 VanDerWaalsContact C-N 3.34Å; S234-R236 PolarHBondContact O-N 2.84Å; R236-S239 WeakPolarHBondContact CA-OG 3.37Å; R236-S239 PolarHBondContact O-OG 2.84Å; R236-K240 WeakPolarHBondContact O-CB 3.43Å; R236-K240 PolarHBondContact O-N 3.24Å
237S92.5Very high94.7Very high42 Ų42104.8 Ų104.829%0.29450%0.498SS..Hα-helixtrans-68.9-36.7177.7850000112.2K233 S234 R241K233-S237 PolarHBondContact O-N 3.23Å; S234-S237 WeakPolarHBondContact O-CA 3.24Å; S234-S237 WeakPolarHBondContact O-CB 3.4Å; S234-S237 PolarHBondContact O-N 2.93Å; S234-S237 PolarHBondContact O-OG 3.5Å; S237-R241 WeakPolarHBondContact O-CG 3.34Å; S237-R241 PolarHBondContact O-N 3.46Å; S237-R241 PolarHBondContact OG-NH2 3.38Å
238T89.9Confident94.8Very high62 Ų62105.8 Ų105.838%0.3850%0.503SS..Hα-helixtrans-74.2-41.9177.256.70000110.5S234 Q235 K240 R241 C242S234-T238 WeakPolarHBondContact O-CG2 3.43Å; S234-T238 PolarHBondContact O-N 3.15Å; S234-T238 PolarHBondContact O-OG1 2.9Å; Q235-T238 WeakPolarHBondContact CA-OG1 3.45Å; Q235-T238 PolarHBondContact O-OG1 3.15Å; T238-K240 VanDerWaalsContact C-N 3.3Å; T238-K240 PolarHBondContact O-N 2.78Å; T238-R241 PolarHBondContact O-N 3.41Å; T238-C242 WeakPolarHBondContact O-CB 3.29Å; T238-C242 PolarHBondContact O-N 2.89Å; T238-C242 PolarHBondContact O-SG 2.93Å
239S94.6Very high94.9Very high65 Ų65105.1 Ų105.146%0.45550%0.499SS..Hα-helixtrans-61.3-39.1175.369.50000112.2Q235 R236 C242 Q243Q235-S239 WeakPolarHBondContact O-CB 3.36Å; Q235-S239 PolarHBondContact O-N 2.88Å; Q235-S239 PolarHBondContact O-OG 3.46Å; R236-S239 WeakPolarHBondContact CA-OG 3.37Å; R236-S239 PolarHBondContact O-OG 2.84Å; S239-C242 PolarHBondContact O-N 2.94Å; S239-Q243 PolarHBondContact O-N 3.16Å
240K97.7Very high95Very high128 Ų128104.6 Ų104.656%0.55750%0.498SS*.Hα-helixtrans-62.4-49.5173-170.4-179179.1-170.40111.9R236 T238 C242 Q243 E244R236-K240 WeakPolarHBondContact O-CB 3.43Å; R236-K240 PolarHBondContact O-N 3.24Å; T238-K240 VanDerWaalsContact C-N 3.3Å; T238-K240 PolarHBondContact O-N 2.78Å; K240-C242 VanDerWaalsContact C-N 3.35Å; K240-C242 PolarHBondContact O-N 2.98Å; K240-Q243 WeakPolarHBondContact O-CB 3.45Å; K240-Q243 PolarHBondContact O-N 2.93Å; K240-E244 VanDerWaalsContact CE-OE1 3.24Å; K240-E244 WeakPolarHBondContact CE-OE1 3.48Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.34Å
241R95.5Very high95.2Very high156 Ų156104.8 Ų104.859%0.58950%0.499SS*.Hα-helixtrans-60.9-40.7176.3-80.4-175.1-92.6-172.1-6.8112.7S237 T238 Q243 E244 Q245S237-R241 WeakPolarHBondContact O-CG 3.34Å; S237-R241 PolarHBondContact O-N 3.46Å; S237-R241 PolarHBondContact OG-NH2 3.38Å; T238-R241 PolarHBondContact O-N 3.41Å; R241-Q243 PolarHBondContact O-N 3.25Å; R241-E244 PolarHBondContact O-N 2.87Å; R241-Q245 WeakPolarHBondContact O-CB 3.26Å; R241-Q245 PolarHBondContact O-N 2.9Å
242C94.3Very high95.5Very high63 Ų63101.3 Ų101.343%0.42649%0.492SS..Hα-helixtrans-65.4-27.9174.7-69.60000112.7T238 S239 K240 R246T238-C242 WeakPolarHBondContact O-CB 3.29Å; T238-C242 PolarHBondContact O-N 2.89Å; T238-C242 PolarHBondContact O-SG 2.93Å; S239-C242 PolarHBondContact O-N 2.94Å; K240-C242 VanDerWaalsContact C-N 3.35Å; K240-C242 PolarHBondContact O-N 2.98Å; C242-R246 WeakPolarHBondContact O-CG 3.5Å; C242-R246 PolarHBondContact O-N 3.46Å; C242-R246 PolarHBondContact O-NE 3.47Å; C242-R246 VanDerWaalsContact O-NE 3.08Å
243Q97Very high95.6Very high116 Ų116106 Ų10654%0.54251%0.509SS..Hα-helixtrans-76-44.3173.5-171.5170.68.800111.2S239 K240 R241 Q245 R246 L247S239-Q243 PolarHBondContact O-N 3.16Å; K240-Q243 WeakPolarHBondContact O-CB 3.45Å; K240-Q243 PolarHBondContact O-N 2.93Å; R241-Q243 PolarHBondContact O-N 3.25Å; Q243-Q245 VanDerWaalsContact C-N 3.35Å; Q243-Q245 PolarHBondContact O-N 2.93Å; Q243-R246 PolarHBondContact O-N 3.41Å; Q243-L247 WeakPolarHBondContact O-CG 3.42Å; Q243-L247 PolarHBondContact O-N 2.81Å
244E96.9Very high95.6Very high91 Ų91106.3 Ų106.343%0.42551%0.512SS..Hα-helixtrans-59.1-44.8174.2-70.4168-178.200111.4K240 R241 R246 L247 L248K240-E244 VanDerWaalsContact CE-OE1 3.24Å; K240-E244 WeakPolarHBondContact CE-OE1 3.48Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.34Å; R241-E244 PolarHBondContact O-N 2.87Å; E244-R246 VanDerWaalsContact C-N 3.32Å; E244-R246 PolarHBondContact O-N 3.25Å; E244-L247 PolarHBondContact O-N 3.48Å; E244-L248 WeakPolarHBondContact O-CG 3.05Å; E244-L248 PolarHBondContact O-N 3.44Å
245Q94.5Very high95.8Very high120 Ų120108.5 Ų108.556%0.56152%0.518SS*.Hα-helixtrans-59.8-41.2175.9-174.8178.73.600112.1R241 Q243 L248 M249R241-Q245 WeakPolarHBondContact O-CB 3.26Å; R241-Q245 PolarHBondContact O-N 2.9Å; Q243-Q245 VanDerWaalsContact C-N 3.35Å; Q243-Q245 PolarHBondContact O-N 2.93Å; Q245-L248 PolarHBondContact O-N 3Å; Q245-M249 WeakPolarHBondContact O-CG 3.46Å; Q245-M249 PolarHBondContact O-N 3.21Å
246R96.6Very high96Very high153 Ų153109.9 Ų109.958%0.57752%0.518SS*.Hα-helixtrans-64.4-44.4176.5-80-178-74.5167.1-3.1112.2C242 Q243 E244 L248 M249 E250C242-R246 WeakPolarHBondContact O-CG 3.5Å; C242-R246 PolarHBondContact O-N 3.46Å; C242-R246 PolarHBondContact O-NE 3.47Å; C242-R246 VanDerWaalsContact O-NE 3.08Å; Q243-R246 PolarHBondContact O-N 3.41Å; E244-R246 VanDerWaalsContact C-N 3.32Å; E244-R246 PolarHBondContact O-N 3.25Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 3.01Å; R246-M249 HydrophobicContact CG-CE 4.37Å; R246-M249 PolarHBondContact O-N 3.44Å; R246-E250 PolarHBondContact O-N 2.76Å
247L97.6Very high96.1Very high89 Ų89104.2 Ų104.247%0.46651%0.509SS..Hα-helixtrans-61.9-40.7176.2-69.1171.2000111.7Q243 E244 E250 Q251Q243-L247 WeakPolarHBondContact O-CG 3.42Å; Q243-L247 PolarHBondContact O-N 2.81Å; E244-L247 PolarHBondContact O-N 3.48Å; L247-E250 PolarHBondContact O-N 3.11Å; L247-Q251 WeakPolarHBondContact O-CG 3.29Å; L247-Q251 PolarHBondContact O-N 3.06Å
248L97.8Very high96.3Very high104 Ų104105 Ų10555%0.54551%0.514SS..Hα-helixtrans-65.3-38.4175.8-71.6172.4000112.3E244 Q245 R246 Q251 L252E244-L248 WeakPolarHBondContact O-CG 3.05Å; E244-L248 PolarHBondContact O-N 3.44Å; Q245-L248 PolarHBondContact O-N 3Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 3.01Å; L248-Q251 PolarHBondContact O-N 3.26Å; L248-L252 WeakPolarHBondContact O-CG 3.28Å; L248-L252 PolarHBondContact O-N 2.8Å
249M95.6Very high96.6Very high95 Ų95106.1 Ų106.147%0.46852%0.516SS..Hα-helixtrans-63.9-44.1174.3-72.2-164.5-49.700111.8Q245 R246 Q251 L252 E253Q245-M249 WeakPolarHBondContact O-CG 3.46Å; Q245-M249 PolarHBondContact O-N 3.21Å; R246-M249 HydrophobicContact CG-CE 4.37Å; R246-M249 PolarHBondContact O-N 3.44Å; M249-Q251 VanDerWaalsContact C-N 3.34Å; M249-Q251 PolarHBondContact O-N 2.97Å; M249-L252 PolarHBondContact O-N 3.03Å; M249-L252 VanDerWaalsContact O-N 3.17Å; M249-E253 WeakPolarHBondContact O-CG 3.47Å; M249-E253 PolarHBondContact O-N 3.33Å
250E97.3Very high96.7Very high108 Ų108106.2 Ų106.251%0.50552%0.516SS..Hα-helixtrans-59.4-44.5176.2-173.1171.5-161.500111.2R246 L247 L252 E253 E254R246-E250 PolarHBondContact O-N 2.76Å; L247-E250 PolarHBondContact O-N 3.11Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 2.97Å; E250-E253 PolarHBondContact O-N 2.9Å; E250-E254 WeakPolarHBondContact O-CG 3.39Å; E250-E254 PolarHBondContact O-N 3.26Å
251Q97.7Very high96.7Very high107 Ų107103 Ų10350%0.551%0.512SS..Hα-helixtrans-61.7-38.5174.8-72.8177.5-3.800113.1L247 L248 M249 E253 E254 L255L247-Q251 WeakPolarHBondContact O-CG 3.29Å; L247-Q251 PolarHBondContact O-N 3.06Å; L248-Q251 PolarHBondContact O-N 3.26Å; M249-Q251 VanDerWaalsContact C-N 3.34Å; M249-Q251 PolarHBondContact O-N 2.97Å; Q251-E253 VanDerWaalsContact C-N 3.35Å; Q251-E254 PolarHBondContact O-N 3.48Å; Q251-L255 WeakPolarHBondContact O-CB 3.44Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.25Å; Q251-L255 PolarHBondContact O-N 2.98Å
252L96.4Very high96.7Very high97 Ų97100.8 Ų100.851%0.50851%0.512SS..Hα-helixtrans-66.6-37.8175.5-74.8175.9000112L248 M249 E250 L255 R256L248-L252 WeakPolarHBondContact O-CG 3.28Å; L248-L252 PolarHBondContact O-N 2.8Å; M249-L252 PolarHBondContact O-N 3.03Å; M249-L252 VanDerWaalsContact O-N 3.17Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 2.97Å; L252-L255 PolarHBondContact O-N 3.09Å; L252-R256 WeakPolarHBondContact O-CB 3.41Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.43Å; L252-R256 PolarHBondContact O-N 2.67Å
253E96.7Very high96.8Very high130 Ų130104.7 Ų104.761%0.60752%0.517SS*.Hα-helixtrans-66.1-43.3175.3-72.1177.9-179.100111.5M249 E250 Q251 R256 A257M249-E253 WeakPolarHBondContact O-CG 3.47Å; M249-E253 PolarHBondContact O-N 3.33Å; E250-E253 PolarHBondContact O-N 2.9Å; Q251-E253 VanDerWaalsContact C-N 3.35Å; E253-R256 PolarHBondContact O-N 3.04Å; E253-A257 WeakPolarHBondContact O-CB 3.46Å; E253-A257 PolarHBondContact O-N 2.82Å
254E97.2Very high96.8Very high125 Ų125104.8 Ų104.858%0.58452%0.521SS*.Hα-helixtrans-60.3-45.1173.3-72.6-177.5169.200112E250 Q251 A257 S258E250-E254 WeakPolarHBondContact O-CG 3.39Å; E250-E254 PolarHBondContact O-N 3.26Å; Q251-E254 PolarHBondContact O-N 3.48Å; E254-A257 PolarHBondContact O-N 3.14Å; E254-S258 WeakPolarHBondContact O-CB 3.21Å; E254-S258 PolarHBondContact O-N 3.29Å
255L97.3Very high96.8Very high110 Ų110108.5 Ų108.558%0.57653%0.531SS*.Hα-helixtrans-63-44176.6-74.9174.4000111.5Q251 L252 A257 S258 E259Q251-L255 WeakPolarHBondContact O-CB 3.44Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.25Å; Q251-L255 PolarHBondContact O-N 2.98Å; L252-L255 PolarHBondContact O-N 3.09Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.41Å; L255-S258 PolarHBondContact O-N 3.01Å; L255-S258 PolarHBondContact O-OG 3.02Å; L255-E259 WeakPolarHBondContact O-CB 3.44Å; L255-E259 PolarHBondContact O-N 3.43Å
256R97.3Very high97Very high167 Ų167107 Ų10763%0.6353%0.53SS*.Hα-helixtrans-60.9-41.8174.7-77.7174.8178.1177.51112.1L252 E253 E259 C260L252-R256 WeakPolarHBondContact O-CB 3.41Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.43Å; L252-R256 PolarHBondContact O-N 2.67Å; E253-R256 PolarHBondContact O-N 3.04Å; R256-E259 PolarHBondContact O-N 3.48Å; R256-C260 WeakPolarHBondContact O-CB 3.48Å; R256-C260 PolarHBondContact O-N 3.34Å; R256-C260 PolarHBondContact O-SG 3.29Å
257A96.9Very high97Very high61 Ų61106.8 Ų106.850%0.50453%0.534SS..Hα-helixtrans-63.6-43.3176.300000111.2E253 E254 L255 E259 C260 A261E253-A257 WeakPolarHBondContact O-CB 3.46Å; E253-A257 PolarHBondContact O-N 2.82Å; E254-A257 PolarHBondContact O-N 3.14Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.41Å; A257-E259 PolarHBondContact O-N 3.24Å; A257-C260 PolarHBondContact O-N 3.29Å; A257-A261 WeakPolarHBondContact O-CB 3.46Å; A257-A261 PolarHBondContact O-N 3.29Å
258S97.4Very high96.9Very high57 Ų57105.2 Ų105.240%0.39953%0.53SS..Hα-helixtrans-64-39.617680.30000112.1E254 L255 A261 L262E254-S258 WeakPolarHBondContact O-CB 3.21Å; E254-S258 PolarHBondContact O-N 3.29Å; L255-S258 PolarHBondContact O-N 3.01Å; L255-S258 PolarHBondContact O-OG 3.02Å; S258-A261 PolarHBondContact O-N 3.43Å; S258-L262 WeakPolarHBondContact O-CB 3.46Å; S258-L262 VanDerWaalsContact O-CG 3.3Å; S258-L262 WeakPolarHBondContact O-CG 3.49Å; S258-L262 PolarHBondContact O-N 3.36Å
259E96.9Very high96.8Very high87 Ų87104 Ų10441%0.40752%0.524SS..Hα-helixtrans-63.4-45.6175.4-169.7-165.5175.800110.8L255 R256 A257 A261 L262 R263L255-E259 WeakPolarHBondContact O-CB 3.44Å; L255-E259 PolarHBondContact O-N 3.43Å; R256-E259 PolarHBondContact O-N 3.48Å; A257-E259 PolarHBondContact O-N 3.24Å; E259-A261 VanDerWaalsContact C-N 3.34Å; E259-A261 PolarHBondContact O-N 3.47Å; E259-L262 PolarHBondContact O-N 2.96Å; E259-R263 WeakPolarHBondContact O-CB 3.38Å; E259-R263 VanDerWaalsContact O-CG 3.28Å; E259-R263 WeakPolarHBondContact O-CG 3.4Å; E259-R263 PolarHBondContact O-N 2.99Å; E259-R263 IonicContact OE1-CZ 3.88Å; E259-R263 IonicContact OE1-NE 3.57Å; E259-R263 PolarHBondContact OE1-NE 2.8Å; E259-R263 IonicContact OE1-NH2 3.05Å; E259-R263 PolarHBondContact OE1-NH2 3.04Å
260C96.1Very high96.8Very high67 Ų67103.5 Ų103.545%0.45353%0.526SS..Hα-helixtrans-60-44.2175.5-69.90000111.6R256 A257 R263 L264R256-C260 WeakPolarHBondContact O-CB 3.48Å; R256-C260 PolarHBondContact O-N 3.34Å; R256-C260 PolarHBondContact O-SG 3.29Å; A257-C260 PolarHBondContact O-N 3.29Å; C260-R263 PolarHBondContact O-N 3.33Å; C260-L264 WeakPolarHBondContact O-CG 3.43Å; C260-L264 PolarHBondContact O-N 3.44Å
261A97.1Very high96.6Very high59 Ų59101.1 Ų101.149%0.48852%0.521SS..Hα-helixtrans-62.4-42.1176.600000112.1A257 S258 E259 L264 R265A257-A261 WeakPolarHBondContact O-CB 3.46Å; A257-A261 PolarHBondContact O-N 3.29Å; S258-A261 PolarHBondContact O-N 3.43Å; E259-A261 VanDerWaalsContact C-N 3.34Å; E259-A261 PolarHBondContact O-N 3.47Å; A261-L264 PolarHBondContact O-N 2.8Å; A261-R265 PolarHBondContact O-N 3.48Å
262L97Very high96.5Very high110 Ų110100.6 Ų100.658%0.57652%0.518SS*.Hα-helixtrans-64.7-43.8174.8-72.9172.8000111.7S258 E259 L264 R265 V266S258-L262 WeakPolarHBondContact O-CB 3.46Å; S258-L262 VanDerWaalsContact O-CG 3.3Å; S258-L262 WeakPolarHBondContact O-CG 3.49Å; S258-L262 PolarHBondContact O-N 3.36Å; E259-L262 PolarHBondContact O-N 2.96Å; L262-L264 VanDerWaalsContact C-N 3.31Å; L262-L264 PolarHBondContact O-N 3.04Å; L262-R265 PolarHBondContact O-N 3.01Å; L262-R265 VanDerWaalsContact O-N 3.15Å; L262-V266 WeakPolarHBondContact O-CG2 3.27Å; L262-V266 PolarHBondContact O-N 3.18Å
263R96.5Very high96.3Very high145 Ų145100.6 Ų100.655%0.54752%0.518SS..Hα-helixtrans-59.1-41.8174.9-74.2174.5177.9-157.7-0.9111.5E259 C260 V266 K267E259-R263 WeakPolarHBondContact O-CB 3.38Å; E259-R263 VanDerWaalsContact O-CG 3.28Å; E259-R263 WeakPolarHBondContact O-CG 3.4Å; E259-R263 PolarHBondContact O-N 2.99Å; E259-R263 IonicContact OE1-CZ 3.88Å; E259-R263 IonicContact OE1-NE 3.57Å; E259-R263 PolarHBondContact OE1-NE 2.8Å; E259-R263 IonicContact OE1-NH2 3.05Å; E259-R263 PolarHBondContact OE1-NH2 3.04Å; C260-R263 PolarHBondContact O-N 3.33Å; R263-V266 PolarHBondContact O-N 2.77Å; R263-K267 WeakPolarHBondContact O-CG 3.37Å; R263-K267 PolarHBondContact O-N 2.9Å
264L96.9Very high95.9Very high118 Ų11896.3 Ų96.362%0.61851%0.506SS*.Hα-helixtrans-64.6-42.7174.4-71.2174.3000111.8C260 A261 L262 V266 K267 S268C260-L264 WeakPolarHBondContact O-CG 3.43Å; C260-L264 PolarHBondContact O-N 3.44Å; A261-L264 PolarHBondContact O-N 2.8Å; L262-L264 VanDerWaalsContact C-N 3.31Å; L262-L264 PolarHBondContact O-N 3.04Å; L264-V266 PolarHBondContact O-N 2.91Å; L264-K267 PolarHBondContact O-N 3.45Å; L264-S268 PolarHBondContact O-N 3.37Å
265R96.9Very high95.3Very high170 Ų17098.1 Ų98.164%0.64251%0.512SS*.Hα-helixtrans-62.2-42.2175.9-173.9170.8-179.3159.6-0.5112.1A261 L262 K267 S268 L269A261-R265 PolarHBondContact O-N 3.48Å; L262-R265 PolarHBondContact O-N 3.01Å; L262-R265 VanDerWaalsContact O-N 3.15Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-K267 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-N 3Å; R265-L269 HydrophobicContact CG-CD1 4.14Å; R265-L269 HydrophobicContact CG-CG 4.42Å; R265-L269 WeakPolarHBondContact O-CB 3.47Å; R265-L269 WeakPolarHBondContact O-CG 3.39Å; R265-L269 PolarHBondContact O-N 2.81Å
266V97Very high94.7Very high89 Ų8998.4 Ų98.454%0.53951%0.513SS..Hα-helixtrans-60.8-44.4174.7170.30000110.6L262 R263 L264 S268 L269 T270L262-V266 WeakPolarHBondContact O-CG2 3.27Å; L262-V266 PolarHBondContact O-N 3.18Å; R263-V266 PolarHBondContact O-N 2.77Å; L264-V266 PolarHBondContact O-N 2.91Å; V266-S268 PolarHBondContact O-N 3.39Å; V266-L269 PolarHBondContact O-N 3.17Å; V266-T270 VanDerWaalsContact O-CB 3.29Å; V266-T270 WeakPolarHBondContact O-CB 3.46Å; V266-T270 PolarHBondContact O-N 3.22Å; V266-T270 PolarHBondContact O-OG1 2.97Å
267K96.9Very high94Very high148 Ų14899.8 Ų99.864%0.64352%0.518SS*.Hα-helixtrans-61.1-43.6175.1-71.8174.6-179-178.20112.1R263 L264 R265 T270 S271R263-K267 WeakPolarHBondContact O-CG 3.37Å; R263-K267 PolarHBondContact O-N 2.9Å; L264-K267 PolarHBondContact O-N 3.45Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-K267 PolarHBondContact O-N 3.45Å; K267-T270 PolarHBondContact O-N 2.78Å; K267-S271 PolarHBondContact O-N 3Å
268S96.3Very high92.8Very high55 Ų55106.7 Ų106.739%0.38553%0.531SS..Hα-helixtrans-59.3-54.8175.6-167.60000111.3L264 R265 V266 T270 S271 E272L264-S268 PolarHBondContact O-N 3.37Å; R265-S268 PolarHBondContact O-N 3Å; V266-S268 PolarHBondContact O-N 3.39Å; S268-T270 VanDerWaalsContact C-N 3.25Å; S268-T270 PolarHBondContact O-N 3.18Å; S268-S271 WeakPolarHBondContact O-CA 3.45Å; S268-S271 WeakPolarHBondContact O-CB 3.48Å; S268-S271 PolarHBondContact O-N 2.92Å; S268-S271 PolarHBondContact O-OG 3.22Å; S268-E272 WeakPolarHBondContact O-CG 3.2Å; S268-E272 PolarHBondContact O-N 3.45Å; S268-E272 PolarHBondContact OG-OE1 3.46Å
269L95.9Very high91Very high80 Ų80107.1 Ų107.142%0.41955%0.545SS..Hα-helixtrans-59.7-37178.8-69.3174.9000111.8R265 V266 S271 E272 L273R265-L269 HydrophobicContact CG-CD1 4.14Å; R265-L269 HydrophobicContact CG-CG 4.42Å; R265-L269 WeakPolarHBondContact O-CB 3.47Å; R265-L269 WeakPolarHBondContact O-CG 3.39Å; R265-L269 PolarHBondContact O-N 2.81Å; V266-L269 PolarHBondContact O-N 3.17Å; L269-S271 VanDerWaalsContact C-N 3.35Å; L269-E272 PolarHBondContact O-N 3.46Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 VanDerWaalsContact O-CG 3.25Å; L269-L273 WeakPolarHBondContact O-CG 3.45Å; L269-L273 PolarHBondContact O-N 3.24Å
270T94.9Very high89.1Confident83 Ų83113.3 Ų113.351%0.50957%0.565SS.*Hα-helixtrans-64.1-41.6175.2-56.50000111.2V266 K267 S268 A274V266-T270 VanDerWaalsContact O-CB 3.29Å; V266-T270 WeakPolarHBondContact O-CB 3.46Å; V266-T270 PolarHBondContact O-N 3.22Å; V266-T270 PolarHBondContact O-OG1 2.97Å; K267-T270 PolarHBondContact O-N 2.78Å; S268-T270 VanDerWaalsContact C-N 3.25Å; S268-T270 PolarHBondContact O-N 3.18Å; T270-A274 WeakPolarHBondContact O-CB 3.3Å; T270-A274 PolarHBondContact O-N 3.3Å
271S93.8Very high86.6Confident58 Ų58115.8 Ų115.841%0.40658%0.577SS.*Hα-helixtrans-66.1-40.8175.577.90000112.2K267 S268 L269 A274 F275K267-S271 PolarHBondContact O-N 3Å; S268-S271 WeakPolarHBondContact O-CA 3.45Å; S268-S271 WeakPolarHBondContact O-CB 3.48Å; S268-S271 PolarHBondContact O-N 2.92Å; S268-S271 PolarHBondContact O-OG 3.22Å; L269-S271 VanDerWaalsContact C-N 3.35Å; S271-A274 WeakPolarHBondContact O-CB 3.14Å; S271-A274 PolarHBondContact O-N 3.11Å; S271-F275 WeakPolarHBondContact O-CD2 3.31Å; S271-F275 PolarHBondContact O-N 2.9Å
272E95Very high84Confident96 Ų96119.1 Ų119.145%0.44959%0.592SS.*Hα-helixtrans-64.1-44.7175.6-71.5168.4-140.100111.4S268 L269 A274 F275 L276S268-E272 WeakPolarHBondContact O-CG 3.2Å; S268-E272 PolarHBondContact O-N 3.45Å; S268-E272 PolarHBondContact OG-OE1 3.46Å; L269-E272 PolarHBondContact O-N 3.46Å; E272-A274 VanDerWaalsContact C-N 3.29Å; E272-A274 PolarHBondContact O-N 3.25Å; E272-F275 WeakPolarHBondContact O-CB 3.46Å; E272-F275 PolarHBondContact O-N 3.25Å; E272-F275 VanDerWaalsContact O-N 3.16Å; E272-L276 WeakPolarHBondContact O-CG 3.16Å; E272-L276 PolarHBondContact O-N 3.07Å
273L91.9Very high81.5Confident97 Ų97119.4 Ų119.451%0.50860%0.6SS.*Hα-helixtrans-61.2-38.2173.8-74177.2000111.8L269 L276 R277L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 VanDerWaalsContact O-CG 3.25Å; L269-L273 WeakPolarHBondContact O-CG 3.45Å; L269-L273 PolarHBondContact O-N 3.24Å; L273-L276 PolarHBondContact O-N 3.35Å; L273-R277 VanDerWaalsContact O-CB 3.32Å; L273-R277 WeakPolarHBondContact O-CB 3.49Å; L273-R277 WeakPolarHBondContact O-CG 3.44Å; L273-R277 PolarHBondContact O-N 3.25Å
274A88.2Confident78.8Confident41 Ų41119.5 Ų119.534%0.33962%0.617SS.*Hα-helixtrans-65.6-40.6174.400000111.8T270 S271 E272 R277 R278T270-A274 WeakPolarHBondContact O-CB 3.3Å; T270-A274 PolarHBondContact O-N 3.3Å; S271-A274 WeakPolarHBondContact O-CB 3.14Å; S271-A274 PolarHBondContact O-N 3.11Å; E272-A274 VanDerWaalsContact C-N 3.29Å; E272-A274 PolarHBondContact O-N 3.25Å; A274-R277 PolarHBondContact O-N 2.69Å; A274-R278 WeakPolarHBondContact O-CB 3.43Å; A274-R278 WeakPolarHBondContact O-CG 3.47Å; A274-R278 PolarHBondContact O-N 3.45Å
275F84.8Confident75.9Confident163 Ų163119.7 Ų119.772%0.71563%0.628SS**Hα-helixtrans-62.4-46.9173.6-98.7-82.7000112S271 E272 R277 R278 G279S271-F275 WeakPolarHBondContact O-CD2 3.31Å; S271-F275 PolarHBondContact O-N 2.9Å; E272-F275 WeakPolarHBondContact O-CB 3.46Å; E272-F275 PolarHBondContact O-N 3.25Å; E272-F275 VanDerWaalsContact O-N 3.16Å; F275-R277 VanDerWaalsContact C-N 3.32Å; F275-R277 PolarHBondContact O-N 3.44Å; F275-R278 PolarHBondContact O-N 3.45Å; F275-G279 PolarHBondContact O-N 3.42Å
276L85.9Confident72.9Confident116 Ų116115.3 Ų115.361%0.60764%0.636SS**Hα-helixtrans-66.4-33.4178.5-69174.5000112.6E272 L273 G279 R280E272-L276 WeakPolarHBondContact O-CG 3.16Å; E272-L276 PolarHBondContact O-N 3.07Å; L273-L276 PolarHBondContact O-N 3.35Å; L276-G279 PolarHBondContact O-N 3.17Å; L276-R280 PolarHBondContact O-N 3.06Å
277R82.4Confident69.9Low195 Ų195122.3 Ų122.374%0.73665%0.653SS**Hα-helixtrans-68.9-38.1172.4-76175.9176.4-177.5-0.1112.1L273 A274 F275 G279 R280L273-R277 VanDerWaalsContact O-CB 3.32Å; L273-R277 WeakPolarHBondContact O-CB 3.49Å; L273-R277 WeakPolarHBondContact O-CG 3.44Å; L273-R277 PolarHBondContact O-N 3.25Å; A274-R277 PolarHBondContact O-N 2.69Å; F275-R277 VanDerWaalsContact C-N 3.32Å; F275-R277 PolarHBondContact O-N 3.44Å; R277-G279 VanDerWaalsContact C-N 3.33Å; R277-R280 PolarHBondContact O-N 2.98Å
278R71.7Confident67.1Low206 Ų206121.1 Ų121.178%0.77766%0.657SS**Hα-helixtrans-70.2-28173.5-71.8179.9-168.8-148.73.8112.8A274 F275A274-R278 WeakPolarHBondContact O-CB 3.43Å; A274-R278 WeakPolarHBondContact O-CG 3.47Å; A274-R278 PolarHBondContact O-N 3.45Å; F275-R278 PolarHBondContact O-N 3.45Å
279G58.1Low64.1Low67 Ų67123.6 Ų123.669%0.69167%0.674SS**THydrogen-bonded Turntrans-78.1-9.5175.800000115.6F275 L276 R277F275-G279 PolarHBondContact O-N 3.42Å; L276-G279 PolarHBondContact O-N 3.17Å; R277-G279 VanDerWaalsContact C-N 3.33Å
280R56.9Low61.3Low217 Ų217123.8 Ų123.882%0.81968%0.683SS**THydrogen-bonded Turntrans-103.330175.4-70.2-169-158.1-135.43.6113.6L276 R277L276-R280 PolarHBondContact O-N 3.06Å; R277-R280 PolarHBondContact O-N 2.98Å
281V45.2Very low58.6Low118 Ų118131 Ų13172%0.71570%0.701SS**  trans-110.685.7165.4-176.60000107.4P283V281-P283 WeakPolarHBondContact O-CD 3.38Å
282T42.9Very low55.8Low130 Ų130134.5 Ų134.580%0.79872%0.719SS**PPolyproline II helixtrans-71.7121.4163.59.20000108.8
283P44.5Very low53Low115 Ų115137.5 Ų137.575%0.74774%0.738SS**PPolyproline II helixtrans-79.3134.6151.231.6-25.6000108.3V281 S285V281-P283 WeakPolarHBondContact O-CD 3.38Å; P283-S285 PolarHBondContact O-N 3.01Å
284V38.4Very low50.2Low148 Ų148136.3 Ų136.390%0.89775%0.749SS**PPolyproline II helixtrans-65124.5168.5169.20000108.9
285S35.5Very low47.9Very low121 Ų121143 Ų14385%0.84677%0.774SS**  trans149.8133.9137.5-1700000112.3P283P283-S285 PolarHBondContact O-N 3.01Å
286G33.8Very low45.6Very low78 Ų78141.9 Ų141.980%0.80478%0.78SS**  trans127.5100.1159.400000115.8
287R35.4Very low43.1Very low237 Ų237146.6 Ų146.689%0.89479%0.791SS**  trans-80.8144.6176.2-95.5-177.7179.9-122.52.9112.8
288V37.7Very low40.7Very low122 Ų122148.3 Ų148.374%0.73980%0.797SS**  trans88.5137.1132.6175.20000121.8
289S33.7Very low39.1Very low107 Ų107142.7 Ų142.775%0.74879%0.79SS**  trans92136.7156.9-120.10000117.3
290S36.4Very low37.9Very low85 Ų85146.9 Ų146.959%0.59480%0.795SS**  cis176.6136.4-1340.30000107.5
291R38Very low36.6Very low235 Ų235141.4 Ų141.489%0.88779%0.791SS**  trans60.4140.2152.1-57.9177.8-179.9-176.4-0.8115.6
292V35.8Very low36.2Very low131 Ų131147.6 Ų147.679%0.79480%0.801SS**  -164.3145.153.3-136.20000109.6
293D36.3Very low35.6Very low158 Ų158148.9 Ų148.985%0.84580%0.798SS**  trans45.1141.5137.3-119.8-7.3000124.2
294G32.5Very low35.1Very low72 Ų72154.4 Ų154.474%0.74280%0.804SS**  trans146.172159.800000115.2
295E40.9Very low34.9Very low183 Ų183151.9 Ų151.986%0.85579%0.793SS**  trans-52.8137166.1-57176145.600112.5
296V35.3Very low34.8Very low138 Ų138151.3 Ų151.384%0.83679%0.789SS**  trans-153.8114.8132179.30000109.2
297Y34.3Very low34.7Very low215 Ų215150.6 Ų150.684%0.84378%0.782SS**  trans-80.5125.3165.1-142.9-96.4000109.1
298R31.3Very low34.5Very low231 Ų231150.7 Ų150.787%0.87278%0.784SS**  trans-161.498.3151.1-157175.8-70.8-164.8-0.6112.2
299S37.7Very low34.1Very low88 Ų88148.8 Ų148.862%0.61579%0.789SS**  trans-70.8144.1162-43.20000110.9
300L32.5Very low34.1Very low155 Ų155147.6 Ų147.681%0.81279%0.794SS**  trans-168.7103.9142.6-74-168.1000106.7
301S31.7Very low33.9Very low103 Ų103150.3 Ų150.372%0.7281%0.806SS**  47.3107.186.776.30000115.2
302R36.6Very low33.7Very low248 Ų248150.3 Ų150.394%0.93681%0.807SS**  -167.8141.9122.9-119.9179.1173.5-147.5-1.1112.6
303E30.3Very low33.4Very low157 Ų157147.6 Ų147.673%0.73480%0.797SS**  trans-81165.3-172.1-60.7162.7114.700113.4
304R33.3Very low33.2Very low230 Ų230151.1 Ų151.187%0.86880%0.799SS**  trans51.1147.1134-74.7174.7-172.5-1453.1118.6
305S34.5Very low33.1Very low95 Ų95153.7 Ų153.766%0.66481%0.806SS**  cis176.9153.7-3.9-1790000105.3
306S34Very low32.5Very low109 Ų109148.2 Ų148.276%0.76280%0.798SS**  trans37.4133.7142.164.90000121.8
307G31.3Very low32.2Very low64 Ų64146.4 Ų146.466%0.6679%0.792SS**  trans155106.8130.700000117.8
308Y30.6Very low32.2Very low238 Ų238146.4 Ų146.493%0.93379%0.79SS**  trans48.4122.3135.7-72.5-87000122.2
309G30Very low32.1Very low82 Ų82140.7 Ų140.785%0.84577%0.774SS**  94134.3114.400000117.7
310G32.7Very low31.9Very low83 Ų83146.2 Ų146.286%0.85678%0.781SS**  trans148.495.7159.300000115.9
311V32.3Very low31.9Very low141 Ų141145.1 Ų145.186%0.85578%0.775SS**  trans-70.2165.7175.2178.20000112.2
312R34.3Very low32Very low236 Ų236148.1 Ų148.189%0.89178%0.778SS**  trans88.2146.1164.7-83.6-177.8-179.4-154.2-0.3115.8
313A28.7Very low31.6Very low73 Ų73141.7 Ų141.760%0.60376%0.762SS**  cis177.3163.9-18.400000106.2
314R33.2Very low31.6Very low232 Ų232143.3 Ų143.388%0.87576%0.761SS**  trans74.2114.9158.4-70.2172.7179.7-179.7-2.1115.3
315S29.9Very low31.5Very low126 Ų126141.3 Ų141.388%0.88175%0.754SS**  88.5130.970.5-171.60000111.6
316G28.7Very low31.6Very low68 Ų68143.8 Ų143.870%0.70176%0.759SS**  trans12982.5171.400000110.7
317S29.1Very low31.5Very low100 Ų100150 Ų15070%0.69977%0.765SS**  63.2115.573.4-1770000113.2
318R32.8Very low31.6Very low216 Ų216152.9 Ų152.982%0.81578%0.775SS**  trans63.3143.2144.4-73.4178.3161.6-178.3-1.5115.4
319E30.9Very low31.6Very low111 Ų111145.2 Ų145.252%0.51977%0.769SS.*  cis-176156.619.3-122.3173.2-13500106.6
320R32Very low31.8Very low204 Ų204149.8 Ų149.877%0.7777%0.768SS**  trans63.5155.8146.5-72.7-179.9-154.1-139.1-1117.3
321L33.5Very low31.8Very low132 Ų132156.5 Ų156.569%0.69177%0.768SS**  cis-159.7161.25-121.7153.2000106.5
322E33.4Very low31.8Very low166 Ų166156 Ų15678%0.77676%0.756SS**  trans-31.6152.3165.7-61.4-171.1-177.100117
323D28.8Very low31.7Very low112 Ų112154.3 Ų154.360%0.59975%0.75SS**  -177.4119.195.9-143.614.1000111.7
324R30.8Very low32Very low192 Ų192162.2 Ų162.273%0.72576%0.764SS**  39.5123.4120.8-151.3-179.3-167.1-175.35.2119.7
325R31Very low32Very low188 Ų188157.1 Ų157.171%0.70976%0.764SS**  163116.9117.4-86.2170-153.8-102.23.5110.4
326L35.4Very low32Very low147 Ų147158.2 Ų158.277%0.7776%0.76SS**  63.9108.3105.4-63.3176.6000113.8
327R31.7Very low32.3Very low239 Ų239160.3 Ų160.390%0.90276%0.763SS**  86.4108.879.7-169.2-172.6-161.5-162.96112.6
328S33.9Very low32.7Very low124 Ų124161.4 Ų161.487%0.86777%0.771SS**  trans-175.6142.6150.648.80000106.4
329G30.5Very low32.7Very low77 Ų77154.5 Ų154.579%0.79477%0.767SS**  cis171.7134.34.300000105.4
330E33.7Very low33.2Very low179 Ų179155.7 Ų155.784%0.83678%0.784SS**  trans-74.1166.1-176.1-64170.3131.600113.9
331R33.2Very low33.3Very low224 Ų224157.2 Ų157.285%0.84579%0.79SS**  trans119.8152.1140.8-71.3-179-173.8-173.10.4113.9
332E31.5Very low34Very low130 Ų130155.8 Ų155.861%0.60779%0.789SS**  cis177.3157.1-23.3-166.5-169.5139.400104.3
333R33.7Very low33.9Very low201 Ų201157.2 Ų157.276%0.75880%0.795SS**  trans94.3105.7153.4-54.8-168.2-177.4-178.45.2121.9
334R33.8Very low34.3Very low239 Ų239160.7 Ų160.790%0.90281%0.81SS**  21.2139.1124.3-53.5-172.3179.4-159.7-0.7121
335S32.8Very low34.4Very low124 Ų124159.8 Ų159.887%0.86782%0.819SS**  trans-164.6157.2135.3-77.40000111.6
336D30.8Very low34.6Very low150 Ų150162.4 Ų162.480%0.80283%0.828SS**  trans-94.8169.4-156.6-63.1-63.1000117.2
337S36Very low34.7Very low111 Ų111161 Ų16178%0.77683%0.829SS**  trans89.7116.2140.476.40000122.1
338S36.4Very low34.8Very low124 Ų124154.7 Ų154.787%0.86782%0.821SS**  173.2127.4118.244.10000111.5
339G32.5Very low35.2Very low71 Ų71154.9 Ų154.973%0.73282%0.819SS**  trans-90.3179.8167.900000111.7
340P41.3Very low35.4Very low135 Ų135155.8 Ų155.888%0.87781%0.813SS**  -141.6166.960.932.9-11.5000117.1
341R35Very low35.7Very low237 Ų237153.8 Ų153.889%0.89482%0.816SS**  trans-80.3-170.1178.6-68.6-173.5174.2-164.20.1112.7
342P47.8Very low36Very low102 Ų102149.4 Ų149.466%0.66281%0.814SS**  cis-132.1158.8-41.728.4-9.7000113
343H32Very low36.3Very low196 Ų196154.4 Ų154.491%0.90783%0.827SS**  trans-145.3115.6148.6-93.7-48.9000111.3
344M35.7Very low36.8Very low184 Ų184150.4 Ų150.491%0.90683%0.831SS**  trans-88.5119.1165.4-78.8-104.8170.900108.3
345L34Very low37.8Very low174 Ų174150.4 Ų150.491%0.91183%0.83SS**  trans-128136.3152.8-77.1175000109
346R35.6Very low39Very low242 Ų242150.7 Ų150.791%0.91383%0.827SS**PPolyproline II helixtrans-61.1159.4-169.3-107.2-178.5164.4178-4.2114.1
347P37.3Very low40.9Very low119 Ų119149.2 Ų149.277%0.77383%0.825SS**PPolyproline II helixtrans-83140.4-172.233-30.8000113
348S33.7Very low42.7Very low106 Ų106155.4 Ų155.474%0.74183%0.832SS**PPolyproline II helixtrans-81.6142.3161.842.10000110.3
349P42.9Very low44.7Very low128 Ų128156 Ų15683%0.83182%0.819SS**PPolyproline II helixtrans-86.5121.6-17733.3-29.5000110
350S33.3Very low46.9Very low95 Ų95156.6 Ų156.666%0.66481%0.805SS**  trans-139.1136.5161.4-640000107.6T352S350-T352 PolarHBondContact O-N 3.29Å
351P41.4Very low48.7Very low138 Ų138153.6 Ų153.690%0.89679%0.786SS**  trans-81.385.8-16333.2-33.7000110.4R353P351-R353 PolarHBondContact O-N 3.42Å
352T37.9Very low51.1Low132 Ų132146.2 Ų146.281%0.8177%0.767SS**  trans-80.5111.3166.7-34.20000107.7S350 S354S350-T352 PolarHBondContact O-N 3.29Å; T352-S354 PolarHBondContact O-N 3.46Å
353R38.8Very low52.9Low234 Ų234143.7 Ų143.788%0.88376%0.755SS**  trans-20.5108.2168.1-83.7177.2165.6-167.5-3.8112P351 R355P351-R353 PolarHBondContact O-N 3.42Å; R353-R355 PolarHBondContact O-N 3.05Å
354S43.9Very low55.5Low118 Ų118140.4 Ų140.483%0.82574%0.735SS**  trans-60.1110.117054.20000108.1T352 V356T352-S354 PolarHBondContact O-N 3.46Å; S354-V356 PolarHBondContact O-N 2.99Å
355R54.1Low58.2Low238 Ų238136 Ų13690%0.89872%0.715SS**PPolyproline II helixtrans-56.2129.5177.8-69176.9171-178.5-3.6109.1R353R353-R355 PolarHBondContact O-N 3.05Å
356V58.4Low60.9Low130 Ų130133.8 Ų133.879%0.78870%0.7SS**PPolyproline II helixtrans-52.1133.9168.3-178.50000108S354 R358S354-V356 PolarHBondContact O-N 2.99Å; V356-R358 PolarHBondContact O-N 3.13Å; V356-R358 VanDerWaalsContact O-N 3.16Å
357P70.7Confident63.6Low119 Ų119124.3 Ų124.377%0.77367%0.667SS**PPolyproline II helixtrans-53.7124.7177.1-23.432.6000109.5F359P357-F359 PolarHBondContact O-N 3.23Å
358R73.1Confident66.1Low242 Ų242125.9 Ų125.991%0.91366%0.658SS**PPolyproline II helixtrans-59.8131.1178.8-167.7175.3-173.9-161.70.9108V356 D360V356-R358 PolarHBondContact O-N 3.13Å; V356-R358 VanDerWaalsContact O-N 3.16Å; R358-D360 PolarHBondContact O-N 3.5Å; R358-D360 VanDerWaalsContact O-N 3.17Å
359F78.8Confident68.9Low136 Ų136125.3 Ų125.360%0.59664%0.643SS**PPolyproline II helixtrans-53.4118.9-175.5179.7-103.9000111P357 P361 Y364P357-F359 PolarHBondContact O-N 3.23Å; F359-P361 HydrophobicContact CD1-CB 4.46Å; F359-P361 HydrophobicContact CE1-CB 3.92Å; F359-P361 WeakPolarHBondContact O-CD 3.22Å; F359-Y364 HydrophobicContact CE2-CD1 4.38Å; F359-Y364 AromaticContact CE2-CD2 3.89Å; F359-Y364 HydrophobicContact CE2-CD2 3.89Å; F359-Y364 AromaticContact CE2-CG 3.73Å; F359-Y364 HydrophobicContact CE2-CG 3.73Å; F359-Y364 AromaticContact CZ-CD1 3.92Å; F359-Y364 HydrophobicContact CZ-CD1 3.92Å; F359-Y364 HydrophobicContact CZ-CD2 4.26Å; F359-Y364 AromaticContact CZ-CG 3.69Å; F359-Y364 HydrophobicContact CZ-CG 3.69Å
360D79.9Confident71.2Confident84 Ų84125.4 Ų125.445%0.44963%0.627SS.*  trans-97.2107.8171.1-173.9-17.2000108.4R358 T362 A363 Y364R358-D360 PolarHBondContact O-N 3.5Å; R358-D360 VanDerWaalsContact O-N 3.17Å; D360-T362 PolarHBondContact O-N 3.41Å; D360-T362 PolarHBondContact OD1-N 3.5Å; D360-T362 PolarHBondContact OD1-OG1 3.46Å; D360-T362 PolarHBondContact OD2-OG1 3.4Å; D360-A363 HydrophobicContact CB-CB 4.06Å; D360-A363 PolarHBondContact O-N 3.1Å; D360-Y364 PolarHBondContact O-N 3.18Å
361P78.6Confident74Confident72 Ų72128.7 Ų128.747%0.46863%0.625SS.*Hα-helixtrans-62.5-24.9-177.525.1-32.8000112.4F359 I365F359-P361 HydrophobicContact CD1-CB 4.46Å; F359-P361 HydrophobicContact CE1-CB 3.92Å; F359-P361 WeakPolarHBondContact O-CD 3.22Å; P361-I365 WeakPolarHBondContact O-CD1 3.17Å; P361-I365 VanDerWaalsContact O-CG1 3.27Å; P361-I365 WeakPolarHBondContact O-CG1 3.41Å; P361-I365 PolarHBondContact O-N 3.21Å
362T86.1Confident76.1Confident81 Ų81127.5 Ų127.550%0.49761%0.607SS.*Hα-helixtrans-77.1-42.3-179.963.80000111.9D360 Y364 I365 Q366D360-T362 PolarHBondContact O-N 3.41Å; D360-T362 PolarHBondContact OD1-N 3.5Å; D360-T362 PolarHBondContact OD1-OG1 3.46Å; D360-T362 PolarHBondContact OD2-OG1 3.4Å; T362-Y364 VanDerWaalsContact C-N 3.27Å; T362-Y364 PolarHBondContact O-N 3Å; T362-I365 PolarHBondContact O-N 3.36Å; T362-Q366 WeakPolarHBondContact O-CG 3.44Å; T362-Q366 PolarHBondContact O-N 3.33Å
363A84.6Confident78.6Confident50 Ų50128.4 Ų128.441%0.41360%0.596SS.*Hα-helixtrans-62.6-36.3173.900000111.8D360 Q366 D367D360-A363 HydrophobicContact CB-CB 4.06Å; D360-A363 PolarHBondContact O-N 3.1Å; A363-Q366 PolarHBondContact O-N 2.85Å; A363-D367 WeakPolarHBondContact O-CB 3.23Å; A363-D367 PolarHBondContact O-N 2.73Å
364Y87.4Confident81Confident126 Ų126122.2 Ų122.249%0.49458%0.577SS.*Hα-helixtrans-65.9-44.4176.5179.2-103.1000112.7F359 D360 T362 Q366 D367 R368F359-Y364 HydrophobicContact CE2-CD1 4.38Å; F359-Y364 AromaticContact CE2-CD2 3.89Å; F359-Y364 HydrophobicContact CE2-CD2 3.89Å; F359-Y364 AromaticContact CE2-CG 3.73Å; F359-Y364 HydrophobicContact CE2-CG 3.73Å; F359-Y364 AromaticContact CZ-CD1 3.92Å; F359-Y364 HydrophobicContact CZ-CD1 3.92Å; F359-Y364 HydrophobicContact CZ-CD2 4.26Å; F359-Y364 AromaticContact CZ-CG 3.69Å; F359-Y364 HydrophobicContact CZ-CG 3.69Å; D360-Y364 PolarHBondContact O-N 3.18Å; T362-Y364 VanDerWaalsContact C-N 3.27Å; T362-Y364 PolarHBondContact O-N 3Å; Y364-Q366 VanDerWaalsContact C-N 3.32Å; Y364-Q366 PolarHBondContact O-N 2.63Å; Y364-D367 PolarHBondContact O-N 2.92Å; Y364-R368 VanDerWaalsContact O-CB 3.3Å; Y364-R368 WeakPolarHBondContact O-CB 3.38Å; Y364-R368 PolarHBondContact O-N 2.93Å
365I90.9Very high83.2Confident93 Ų93119.4 Ų119.448%0.47756%0.561SS.*Hα-helixtrans-64.3-40.6177.1-67.6165.8000110.5P361 T362 R368 Q369P361-I365 WeakPolarHBondContact O-CD1 3.17Å; P361-I365 VanDerWaalsContact O-CG1 3.27Å; P361-I365 WeakPolarHBondContact O-CG1 3.41Å; P361-I365 PolarHBondContact O-N 3.21Å; T362-I365 PolarHBondContact O-N 3.36Å; I365-R368 PolarHBondContact O-N 2.87Å; I365-Q369 WeakPolarHBondContact O-CG 3.2Å; I365-Q369 PolarHBondContact O-N 3.47Å
366Q92Very high84.9Confident126 Ų126113.9 Ų113.959%0.58955%0.545SS*.Hα-helixtrans-65.8-43.2176.9-70.2178.41300112.6T362 A363 Y364 R368 Q369 R370T362-Q366 WeakPolarHBondContact O-CG 3.44Å; T362-Q366 PolarHBondContact O-N 3.33Å; A363-Q366 PolarHBondContact O-N 2.85Å; Y364-Q366 VanDerWaalsContact C-N 3.32Å; Y364-Q366 PolarHBondContact O-N 2.63Å; Q366-R368 VanDerWaalsContact C-N 3.34Å; Q366-Q369 PolarHBondContact O-N 3.27Å; Q366-R370 WeakPolarHBondContact O-CB 3.37Å; Q366-R370 PolarHBondContact O-N 2.87Å
367D91Very high86.4Confident43 Ų43112.1 Ų112.123%0.2353%0.531CS..Hα-helixtrans-64.2-40.3175.1-172.741.6000111.4A363 Y364 Q369 R370 R371A363-D367 WeakPolarHBondContact O-CB 3.23Å; A363-D367 PolarHBondContact O-N 2.73Å; Y364-D367 PolarHBondContact O-N 2.92Å; D367-Q369 PolarHBondContact O-N 3.14Å; D367-R370 PolarHBondContact O-N 2.81Å; D367-R370 IonicContact OD1-CZ 3.15Å; D367-R370 IonicContact OD1-NE 3.43Å; D367-R370 PolarHBondContact OD1-NE 3.25Å; D367-R370 IonicContact OD1-NH2 2.58Å; D367-R370 PolarHBondContact OD1-NH2 3.46Å; D367-R371 WeakPolarHBondContact O-CG 3.39Å; D367-R371 PolarHBondContact O-N 3.36Å; D367-R371 IonicContact OD1-NE 3.9Å; D367-R371 IonicContact OD2-CZ 3.81Å; D367-R371 IonicContact OD2-NE 3.86Å; D367-R371 PolarHBondContact OD2-NE 3.02Å; D367-R371 IonicContact OD2-NH2 2.62Å
368R90.6Very high87.2Confident152 Ų152113.4 Ų113.457%0.57453%0.525SS*.Hα-helixtrans-60.5-46.1176.2-172.1178.7-176.1-166.51.7111.7Y364 I365 Q366 R371 Q372Y364-R368 VanDerWaalsContact O-CB 3.3Å; Y364-R368 WeakPolarHBondContact O-CB 3.38Å; Y364-R368 PolarHBondContact O-N 2.93Å; I365-R368 PolarHBondContact O-N 2.87Å; Q366-R368 VanDerWaalsContact C-N 3.34Å; R368-R371 PolarHBondContact O-N 3.28Å; R368-Q372 WeakPolarHBondContact O-CG 3.45Å; R368-Q372 PolarHBondContact O-N 2.97Å; R368-Q372 VanDerWaalsContact O-N 3.1Å
369Q91.9Very high87.8Confident95 Ų95109.1 Ų109.144%0.44451%0.513SS..Hα-helixtrans-66.9-36176.9-73.5-177.7-0.900112.6I365 Q366 D367 Q372 R373I365-Q369 WeakPolarHBondContact O-CG 3.2Å; I365-Q369 PolarHBondContact O-N 3.47Å; Q366-Q369 PolarHBondContact O-N 3.27Å; D367-Q369 PolarHBondContact O-N 3.14Å; Q369-Q372 PolarHBondContact O-N 3.34Å; Q369-R373 PolarHBondContact O-N 2.94Å; Q369-R373 VanDerWaalsContact O-N 3.13Å; Q369-R373 PolarHBondContact O-NE 3.02Å
370R92.7Very high88Confident130 Ų130108.2 Ų108.249%0.49151%0.51SS..Hα-helixtrans-63-47.9174.9179.4175.663.3-131.811.8111.2Q366 D367 Q372 R373 E374Q366-R370 WeakPolarHBondContact O-CB 3.37Å; Q366-R370 PolarHBondContact O-N 2.87Å; D367-R370 PolarHBondContact O-N 2.81Å; D367-R370 IonicContact OD1-CZ 3.15Å; D367-R370 IonicContact OD1-NE 3.43Å; D367-R370 PolarHBondContact OD1-NE 3.25Å; D367-R370 IonicContact OD1-NH2 2.58Å; D367-R370 PolarHBondContact OD1-NH2 3.46Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 3.37Å; R370-R373 PolarHBondContact O-N 3.05Å; R370-E374 PolarHBondContact O-N 2.58Å
371R90.6Very high88.1Confident163 Ų163112.2 Ų112.262%0.61552%0.519SS*.Hα-helixtrans-62.5-37178.5-72.6177-179.9-100.71.1112.6D367 R368 A375D367-R371 WeakPolarHBondContact O-CG 3.39Å; D367-R371 PolarHBondContact O-N 3.36Å; D367-R371 IonicContact OD1-NE 3.9Å; D367-R371 IonicContact OD2-CZ 3.81Å; D367-R371 IonicContact OD2-NE 3.86Å; D367-R371 PolarHBondContact OD2-NE 3.02Å; D367-R371 IonicContact OD2-NH2 2.62Å; R368-R371 PolarHBondContact O-N 3.28Å; R371-A375 WeakPolarHBondContact O-CB 3.28Å; R371-A375 PolarHBondContact O-N 2.93Å
372Q86.8Confident88Confident113 Ų113115 Ų11553%0.52852%0.523SS..Hα-helixtrans-63.2-46.6174-76.6178-22.100111.9R368 Q369 R370 E374 A375 E376R368-Q372 WeakPolarHBondContact O-CG 3.45Å; R368-Q372 PolarHBondContact O-N 2.97Å; R368-Q372 VanDerWaalsContact O-N 3.1Å; Q369-Q372 PolarHBondContact O-N 3.34Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 3.37Å; Q372-E374 PolarHBondContact O-N 3.43Å; Q372-A375 PolarHBondContact O-N 3.26Å; Q372-E376 PolarHBondContact O-N 2.95Å
373R89.9Confident87.6Confident152 Ų152114.3 Ų114.357%0.57452%0.519SS*.Hα-helixtrans-62.2-40.5176.9-76.3-176.4-98.8160.7-11.7112.9Q369 R370 E376 L377Q369-R373 PolarHBondContact O-N 2.94Å; Q369-R373 VanDerWaalsContact O-N 3.13Å; Q369-R373 PolarHBondContact O-NE 3.02Å; R370-R373 PolarHBondContact O-N 3.05Å; R373-E376 PolarHBondContact O-N 3.48Å; R373-L377 WeakPolarHBondContact O-CG 3.38Å; R373-L377 PolarHBondContact O-N 3.41Å
374E90.1Very high87Confident104 Ų104121 Ų12149%0.48653%0.534SS..Hα-helixtrans-65.9-39.3176.1-75.7-178.5-169.900112.9R370 Q372 E376 K378R370-E374 PolarHBondContact O-N 2.58Å; Q372-E374 PolarHBondContact O-N 3.43Å; E374-E376 VanDerWaalsContact C-N 3.35Å; E374-K378 PolarHBondContact O-N 3.4Å
375A89.3Confident86.1Confident59 Ų59123.4 Ų123.449%0.48854%0.542SS..Hα-helixtrans-65.4-40.3176.700000111.5R371 Q372 K378 K379R371-A375 WeakPolarHBondContact O-CB 3.28Å; R371-A375 PolarHBondContact O-N 2.93Å; Q372-A375 PolarHBondContact O-N 3.26Å; A375-K378 PolarHBondContact O-N 2.92Å; A375-K379 PolarHBondContact O-N 3.46Å
376E89.6Confident84.9Confident121 Ų121124.2 Ų124.257%0.56554%0.544SS*.Hα-helixtrans-65.6-43.8177.2-166.7168.4-163.700111.9Q372 R373 E374 K378 K379 Q380Q372-E376 PolarHBondContact O-N 2.95Å; R373-E376 PolarHBondContact O-N 3.48Å; E374-E376 VanDerWaalsContact C-N 3.35Å; E376-K378 VanDerWaalsContact C-N 3.33Å; E376-K378 PolarHBondContact O-N 3.42Å; E376-K379 WeakPolarHBondContact O-CB 3.43Å; E376-K379 PolarHBondContact O-N 2.93Å; E376-K379 VanDerWaalsContact O-N 3.14Å; E376-Q380 WeakPolarHBondContact O-CG 3.3Å; E376-Q380 PolarHBondContact O-N 3.33Å
377L89.9Confident83.7Confident93 Ų93124.5 Ų124.549%0.48755%0.548SS..Hα-helixtrans-62.2-37.8173-74.5172.1000112.4R373 R381R373-L377 WeakPolarHBondContact O-CG 3.38Å; R373-L377 PolarHBondContact O-N 3.41Å; L377-R381 VanDerWaalsContact O-CG 3.29Å; L377-R381 WeakPolarHBondContact O-CG 3.4Å; L377-R381 PolarHBondContact O-N 2.97Å
378K87.9Confident82.3Confident147 Ų147128.7 Ų128.764%0.63957%0.57SS**Hα-helixtrans-64.8-40.1173.1-82.3-179.8178.5174.80111.8E374 A375 E376 R381 K382E374-K378 PolarHBondContact O-N 3.4Å; A375-K378 PolarHBondContact O-N 2.92Å; E376-K378 VanDerWaalsContact C-N 3.33Å; E376-K378 PolarHBondContact O-N 3.42Å; K378-R381 PolarHBondContact O-N 3.48Å; K378-K382 PolarHBondContact O-N 2.82Å
379K85.3Confident80.5Confident152 Ų152127.8 Ų127.866%0.66158%0.576SS**Hα-helixtrans-63.8-45.5176.6-166.7179.2179.8-176.20110.9A375 E376 R381 K382 V383A375-K379 PolarHBondContact O-N 3.46Å; E376-K379 WeakPolarHBondContact O-CB 3.43Å; E376-K379 PolarHBondContact O-N 2.93Å; E376-K379 VanDerWaalsContact O-N 3.14Å; K379-R381 VanDerWaalsContact C-N 3.33Å; K379-R381 PolarHBondContact O-N 3.31Å; K379-K382 WeakPolarHBondContact O-CB 3.27Å; K379-K382 PolarHBondContact O-N 3.28Å; K379-K382 VanDerWaalsContact O-N 3.08Å; K379-V383 WeakPolarHBondContact O-CG2 3.28Å; K379-V383 PolarHBondContact O-N 3.18Å
380Q82.9Confident78.1Confident117 Ų117128.6 Ų128.655%0.54759%0.592SS.*Hα-helixtrans-60.3-40.5174.8-69.8-179.35.600112.3E376 K382 V383 R384E376-Q380 WeakPolarHBondContact O-CG 3.3Å; E376-Q380 PolarHBondContact O-N 3.33Å; Q380-K382 VanDerWaalsContact C-N 3.31Å; Q380-K382 PolarHBondContact O-N 3.5Å; Q380-V383 PolarHBondContact O-N 3.39Å; Q380-R384 WeakPolarHBondContact O-CB 3.43Å; Q380-R384 PolarHBondContact O-N 2.92Å
381R82Confident76.1Confident167 Ų167128.3 Ų128.363%0.6361%0.607SS**Hα-helixtrans-66.2-30174.4-72.8174.2-177.9-176.21.7113.5L377 K378 K379 R385L377-R381 VanDerWaalsContact O-CG 3.29Å; L377-R381 WeakPolarHBondContact O-CG 3.4Å; L377-R381 PolarHBondContact O-N 2.97Å; K378-R381 PolarHBondContact O-N 3.48Å; K379-R381 VanDerWaalsContact C-N 3.33Å; K379-R381 PolarHBondContact O-N 3.31Å; R381-R385 PolarHBondContact O-N 3.46Å
382K76.6Confident73.6Confident130 Ų130127.3 Ų127.357%0.56562%0.619SS**Hα-helixtrans-75.3-46.5176.7-163-172.9-177.9-155.80110.7K378 K379 Q380 R384 R385 E386K378-K382 PolarHBondContact O-N 2.82Å; K379-K382 WeakPolarHBondContact O-CB 3.27Å; K379-K382 PolarHBondContact O-N 3.28Å; K379-K382 VanDerWaalsContact O-N 3.08Å; Q380-K382 VanDerWaalsContact C-N 3.31Å; Q380-K382 PolarHBondContact O-N 3.5Å; K382-R384 VanDerWaalsContact C-N 3.32Å; K382-R384 PolarHBondContact O-N 2.88Å; K382-R385 CarbonylContact O-C 3.6Å; K382-R385 WeakPolarHBondContact O-CA 3.5Å; K382-R385 WeakPolarHBondContact O-CB 3.35Å; K382-R385 PolarHBondContact O-N 3.05Å; K382-E386 WeakPolarHBondContact CE-OE1 3.35Å; K382-E386 IonicContact NZ-OE1 3Å; K382-E386 WeakPolarHBondContact O-CG 3.45Å; K382-E386 PolarHBondContact O-N 2.95Å
383V77Confident71.2Confident67 Ų67129.7 Ų129.741%0.40663%0.634SS.*Hα-helixtrans-59.1-43.4174.8173.20000110.9K379 Q380 R385 E386 I387K379-V383 WeakPolarHBondContact O-CG2 3.28Å; K379-V383 PolarHBondContact O-N 3.18Å; Q380-V383 PolarHBondContact O-N 3.39Å; V383-R385 VanDerWaalsContact C-N 3.27Å; V383-R385 PolarHBondContact O-N 3.33Å; V383-E386 PolarHBondContact O-N 3.04Å; V383-I387 HydrophobicContact CG1-CD1 3.75Å; V383-I387 HydrophobicContact CG1-CG1 4.45Å; V383-I387 WeakPolarHBondContact O-CD1 3.3Å; V383-I387 VanDerWaalsContact O-CG1 3.26Å; V383-I387 WeakPolarHBondContact O-CG1 3.46Å; V383-I387 PolarHBondContact O-N 3.15Å
384R71.8Confident69.3Low191 Ų191128.6 Ų128.672%0.72165%0.647SS**Hα-helixtrans-63.4-31.1174.9-169.3175.3177.4-178.1-0.4113.2Q380 K382 L388Q380-R384 WeakPolarHBondContact O-CB 3.43Å; Q380-R384 PolarHBondContact O-N 2.92Å; K382-R384 VanDerWaalsContact C-N 3.32Å; K382-R384 PolarHBondContact O-N 2.88Å; R384-L388 WeakPolarHBondContact O-CG 3.36Å
385R68.6Low66.4Low177 Ų177132 Ų13267%0.66866%0.663SS**Hα-helixtrans-75.3-37.7173.9-94-172.8-94.8-172.4-9.8112.4R381 K382 V383 L388R381-R385 PolarHBondContact O-N 3.46Å; K382-R385 CarbonylContact O-C 3.6Å; K382-R385 WeakPolarHBondContact O-CA 3.5Å; K382-R385 WeakPolarHBondContact O-CB 3.35Å; K382-R385 PolarHBondContact O-N 3.05Å; V383-R385 VanDerWaalsContact C-N 3.27Å; V383-R385 PolarHBondContact O-N 3.33Å; R385-L388 PolarHBondContact O-N 3.18Å
386E65.4Low63.8Low109 Ų109140 Ų14051%0.50968%0.681SS.*Hα-helixtrans-69.1-33.7178.1-72.7169.9-17700111.5K382 V383 L388 N389K382-E386 WeakPolarHBondContact CE-OE1 3.35Å; K382-E386 IonicContact NZ-OE1 3Å; K382-E386 WeakPolarHBondContact O-CG 3.45Å; K382-E386 PolarHBondContact O-N 2.95Å; V383-E386 PolarHBondContact O-N 3.04Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.47Å; E386-N389 PolarHBondContact O-N 2.92Å
387I66.9Low61.1Low132 Ų132137.7 Ų137.768%0.67769%0.689SS**Hα-helixtrans-69.1-25.8175.2-67.3163.7000112.7V383V383-I387 HydrophobicContact CG1-CD1 3.75Å; V383-I387 HydrophobicContact CG1-CG1 4.45Å; V383-I387 WeakPolarHBondContact O-CD1 3.3Å; V383-I387 VanDerWaalsContact O-CG1 3.26Å; V383-I387 WeakPolarHBondContact O-CG1 3.46Å; V383-I387 PolarHBondContact O-N 3.15Å
388L61.4Low58.3Low131 Ų131143.5 Ų143.569%0.68670%0.704SS**THydrogen-bonded Turntrans-88.2-7.1-178.9-69.9172.2000114R384 R385 E386R384-L388 WeakPolarHBondContact O-CG 3.36Å; R385-L388 PolarHBondContact O-N 3.18Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.47Å
389N54.5Low55.9Low134 Ų134142.1 Ų142.172%0.71771%0.713SS**  trans-112.990.7178.8-74.1-5.5000110.2E386E386-N389 PolarHBondContact O-N 2.92Å
390S39.9Very low53.4Low111 Ų111145.2 Ų145.278%0.77672%0.72SS**  trans-81.4142.7168.7-162.90000110.6
391P51.4Low51Low124 Ų124144.7 Ų144.781%0.80573%0.73SS**  trans-88.7126.2-173.833.4-29.6000111.8
392V37.9Very low48.7Very low143 Ų143146.5 Ų146.587%0.86774%0.737SS**  trans-107.7135.9163.9177.40000108.6
393L37.3Very low46.6Very low162 Ų162147.1 Ų147.185%0.84874%0.742SS**  trans-48.7153.7-175.8-71.1163.3000115.6
394P48.6Very low44.5Very low129 Ų129148 Ų14884%0.83876%0.756SS**  trans-93.8120.8170.234.4-25.6000111.4
395E30.1Very low42.6Very low175 Ų175149.3 Ų149.382%0.81876%0.762SS**  trans-112.7115.6170.9-159.5179.3179.400111.2
396R33.7Very low41.8Very low229 Ų229145.2 Ų145.286%0.86476%0.759SS**  trans50.2105.3138.6-150.3175-159.2171.63.8120.4
397G33.2Very low40.4Very low71 Ų71148.8 Ų148.873%0.73278%0.775SS**  43.4133124.800000122.3
398R32.6Very low38.8Very low216 Ų216147.6 Ų147.682%0.81579%0.785SS**  trans-164.2123.5141.1-115.8175.7-173.8-162.93.6112.9
399S36Very low37.6Very low117 Ų117147.9 Ų147.982%0.81879%0.792SS**  trans-80.6139.6161.3-390000109.3
400R32.6Very low36.6Very low217 Ų217153.4 Ų153.482%0.81980%0.803SS**  trans-141.9131155.9-81.7-166.1172.4171.5-4.5111.3
401S32.6Very low36.2Very low107 Ų107152.9 Ų152.975%0.74881%0.805SS**  trans-92.5174.2175.438.60000111.6
402R34.9Very low35.2Very low205 Ų205150.1 Ų150.177%0.77480%0.8SS**  trans79.4143.2168.4-69.7177.8161.3-126.43.4115.6
403E31.8Very low35.2Very low143 Ų143148.5 Ų148.567%0.66880%0.795SS**  cis-166.3162.32.5-117149-178.600108
404A33.3Very low35.1Very low86 Ų86152.6 Ų152.671%0.71180%0.799SS**  trans-85.3145.6175.500000111.2
405Y31.6Very low34.2Very low218 Ų218150 Ų15086%0.85580%0.796SS**  155.7174.498.2-132.2-108.6000107.5
406P52.6Low34.5Very low90 Ų90153.1 Ų153.158%0.58480%0.8SS**  -124.7177.3-6443.3-30.2000115.8
407Q34.6Very low34.4Very low185 Ų185146.6 Ų146.686%0.86479%0.789SS**  trans39.4118.6147.5-88.6163.9-45.300121.7
408A35Very low34.3Very low106 Ų106151 Ų15188%0.87680%0.796SS**  trans-151.6134135.900000112
409V34.6Very low34.2Very low138 Ų138145.6 Ų145.684%0.83679%0.79SS**  trans-66136.5175.8172.60000110.9
410R34.9Very low34.4Very low249 Ų249147.6 Ų147.694%0.9479%0.791SS**  trans-160.2128.6140.7-116.5177.4-166-170.64.2113
411A31.6Very low34.3Very low100 Ų100144.8 Ų144.883%0.82679%0.787SS**  trans-76.8160.116900000111.6
412G30.8Very low34.2Very low67 Ų67151.6 Ų151.669%0.69180%0.797SS**  trans121.696.3139.900000118.6
413S36Very low34.1Very low109 Ų109151.8 Ų151.876%0.76280%0.797SS**  88.7128.3125.984.70000122.1
414R35.1Very low34.2Very low247 Ų247148.9 Ų148.993%0.93281%0.806SS**  trans80.7120.4134.1-79.9174.6172.2167.4-1.8120.8
415G31.4Very low34.2Very low75 Ų75148.7 Ų148.777%0.77380%0.799SS**  trans15663.6157.700000113.2
416R35.4Very low34.4Very low240 Ų240148.6 Ų148.691%0.90680%0.797SS**  64.9109.4101.8-112.3-161.4175.9176.4-1.2116.7
417S32Very low33.4Very low92 Ų92150.4 Ų150.464%0.64380%0.802SS**  trans72.7145.3133.6-8.30000118.6
418L31.5Very low33.2Very low165 Ų165146.1 Ų146.186%0.86479%0.793SS**  cis-150.2165.710-63.2163.4000105.7
419S30.6Very low33.1Very low101 Ų101145.9 Ų145.971%0.70679%0.785SS**  cis179.6151.649.253.70000111.6
420L39.1Very low32.7Very low160 Ų160146.8 Ų146.884%0.83879%0.785SS**  trans75.889.5151.6-64.7161.5000120.4
421E30.6Very low32.3Very low158 Ų158139.6 Ų139.674%0.73877%0.773SS**  trans-63.5142.7140.9-71.1-178.3124.700111.2
422R30.7Very low32.1Very low250 Ų250139.6 Ų139.694%0.94377%0.767SS**  trans-132.5112.2133.8-90.1-166.8-167.9-1311.8109.8
423R33.9Very low32Very low208 Ų208144.5 Ų144.579%0.78578%0.776SS**  trans-66.9145.7160.2-81.6175.6172-106.5-0.2110.6
424G32.7Very low31.7Very low82 Ų82143 Ų14385%0.84577%0.771SS**  trans-147.795.315400000107.6
425S34.5Very low31.6Very low82 Ų82137.7 Ų137.757%0.57376%0.761SS**  trans-94.2173.5178.967.60000111.8
426R35.4Very low31.7Very low216 Ų216141.2 Ų141.282%0.81576%0.759SS**  trans96.1137.1153.2-74.5170.1164.1-175.3-4.4116.4
427N30.2Very low31.5Very low128 Ų128135.9 Ų135.968%0.68475%0.748SS**  cis-177.1146.2-10.9-116.627.7000107.2
428S31.3Very low31.6Very low96 Ų96139.4 Ų139.467%0.67176%0.755SS**  trans57.8156.8139.6-23.50000120.6
429S32.3Very low31.6Very low101 Ų101139.7 Ų139.771%0.70675%0.753SS**  cis-162.5168.616-64.10000110.8
430D26.9Very low31.6Very low156 Ų156138.3 Ų138.383%0.83475%0.748SS**  trans69.4137.4144.9-88.4-28.7000120.1
431S26.7Very low31.3Very low98 Ų98139.4 Ų139.469%0.68575%0.746SS**  cis-166.5149.534.2400000113.7
432S27.8Very low31.3Very low101 Ų101137.9 Ų137.971%0.70675%0.748SS**  trans66.3130.6133.972.20000125
433L27.8Very low31.4Very low170 Ų170133 Ų13389%0.8974%0.74SS**  trans97.3107.1140-89.9161.6000120
434A30.5Very low31.4Very low78 Ų78132.4 Ų132.465%0.64574%0.743SS**  trans-85.3153.2156.500000110.3
435D31.6Very low31.2Very low135 Ų135140.1 Ų140.172%0.72275%0.747SS**  173.7143.1105.1-116.9-8.6000114.4
436M34.4Very low30.9Very low148 Ų148139.6 Ų139.673%0.72976%0.755SS**  trans56146.7150.1-55.1-56.3170.200120.5
437D31.8Very low30.7Very low128 Ų128139.3 Ų139.368%0.68475%0.754SS**  cis-159.8134.612.8-111.9-25.8000105.3
438E32.9Very low31Very low167 Ų167143.1 Ų143.178%0.7876%0.764SS**  61.1118.778-158.9164.7-177.200116.4
439M32Very low31.1Very low170 Ų170145.7 Ų145.784%0.83777%0.766SS**  trans127.6108.9142.7-163.2161.3-110.300115.9
440A31.2Very low31Very low73 Ų73146.7 Ų146.760%0.60377%0.768SS**  170.3117.611100000114
441K32.8Very low31.1Very low182 Ų182150.3 Ų150.379%0.79177%0.771SS**  trans68.9102133.3-56.5167.8-172.5174.40117.3
442T30.2Very low31.2Very low127 Ų127153.2 Ų153.278%0.77978%0.779SS**  51.1142.974.566.90000116.9
443L32.5Very low31.3Very low148 Ų148152 Ų15278%0.77578%0.782SS**  trans90.8112.3-179.7-47.4179.8000112.4
444F33.9Very low31.9Very low194 Ų194150.3 Ų150.385%0.85178%0.782SS**  -149.9130.154.2-72.7-93.5000110.8
445R29.5Very low31.8Very low244 Ų244153.6 Ų153.692%0.92179%0.788SS**  45.4102.989.7-151.5179.3-157.6-118.65.7111.4
446G28.2Very low31.8Very low72 Ų72155.6 Ų155.674%0.74280%0.795SS**  cis98.296.140.500000109.8
447R31.1Very low31.6Very low210 Ų210153 Ų15379%0.79279%0.792SS**  trans-167.7114.2152.8-157.2166.9176.1-177-5.2112
448K36.3Very low31.5Very low208 Ų208159.2 Ų159.290%0.90481%0.806SS**  trans-101.4140.6157.4-72.5-175.9176.8-179.10107.5
449Q31.8Very low31.3Very low150 Ų150154.6 Ų154.670%0.70180%0.803SS**  trans-146.8121.9159.2-123.3164.415.700109.7
450T30.3Very low31.2Very low122 Ų122154.6 Ų154.675%0.74881%0.806SS**  trans-75.7144.1170.743.70000110.8
451Y28.8Very low31.1Very low231 Ų231160.8 Ų160.891%0.90682%0.819SS**  trans-152.2146.7145.8-102-77.4000110.9
452N30.2Very low31.1Very low159 Ų159157.4 Ų157.485%0.8581%0.814SS**  trans-88.4142.7-169.1-68.8-43.9000113.9
453G29Very low31.1Very low75 Ų75163.1 Ų163.177%0.77382%0.822SS**  trans61.8163.3141.600000120.5
454P40.8Very low31.3Very low135 Ų135165.4 Ų165.488%0.87783%0.825SS**  cis-132.1169.520.236.4-16.4000117.1
455N28.9Very low31.3Very low147 Ų147162.3 Ų162.379%0.78682%0.824SS**  trans-65.7149.5177.5-100.7-21.8000115
456M31.5Very low31.5Very low177 Ų177158.9 Ų158.987%0.87282%0.824SS**  trans-149.4105.2140.7-82.2-58.8133.400111.8
457S30.8Very low31.5Very low94 Ų94160.6 Ų160.666%0.65782%0.824SS**  41.6130.2129.1-46.10000123.7
458R29.8Very low31.5Very low258 Ų258155.6 Ų155.697%0.97482%0.821SS**  trans129.9129.9145.5-73.2170.9-173-1753.9110.3
459G28Very low31.7Very low70 Ų70152.5 Ų152.572%0.72282%0.82SS**  cis-179.7129.2-0.800000105.9
460L29.1Very low31.9Very low171 Ų171151.1 Ų151.190%0.89582%0.824SS**  trans-96.9111.6-175-168.274.3000109.3
461F30.4Very low32.4Very low202 Ų202151.7 Ų151.789%0.88683%0.827SS**  trans-97.8115.4168.9-79.7-75.4000110.7
462T31.6Very low32.5Very low112 Ų112148.8 Ų148.869%0.68782%0.822SS**  trans-66.2138.1155.251.40000110.2
463R31.3Very low32.6Very low247 Ų247152.5 Ų152.593%0.93282%0.824SS**  trans-178.5145.6130.1-98.9166.7-172.4-140.71.7113.5
464K35.3Very low33Very low196 Ų196156.4 Ų156.485%0.85283%0.825SS**PPolyproline II helixtrans-61.5154.4174.3-55.9163.1178177.10111.5
465P34.7Very low32.7Very low128 Ų128158.1 Ų158.183%0.83182%0.819SS**PPolyproline II helixtrans-91.9129.3160.832.1-25.1000111.2
466L33.3Very low32.8Very low173 Ų173158 Ų15891%0.90682%0.819SS**PPolyproline II helixtrans-86.2154.9154.6-75.9168.7000108.6
467S28.6Very low33.5Very low108 Ų108157.6 Ų157.676%0.75581%0.812SS**PPolyproline II helixtrans-56.1152.8177.662.40000113.6
468S31.5Very low34.1Very low105 Ų105162.3 Ų162.373%0.73482%0.823SS**  165.5138.3120.8-64.20000108.8
469T39.2Very low34.9Very low143 Ų143155 Ų15588%0.87781%0.812SS**  trans-50.7144.7167.5320000112
470P36.4Very low35.8Very low121 Ų121156.7 Ų156.779%0.78681%0.813SS**  -143.1143.8123.732.1-15000114.4
471T40.7Very low36.8Very low133 Ų133156 Ų15682%0.81681%0.809SS**  trans-61.1134.4164.127.80000112.5
472H31.2Very low38Very low170 Ų170151.5 Ų151.579%0.78779%0.793SS**  trans-159.7104.3154.7-114.8-85.5000107.8
473R33.3Very low39.2Very low237 Ų237150.4 Ų150.489%0.89479%0.787SS**  46.689.890-72.9-167.6177.8-173.30.3112.4
474I36.8Very low40.7Very low157 Ų157140.6 Ų140.681%0.80576%0.762SS**  trans-98.1133.2154.6-62.6174.8000107.3
475K33.6Very low42.2Very low171 Ų171133.9 Ų133.974%0.74374%0.744SS**  trans-10492.5-170.6176-174.3-176.8179.30105.8K477K475-K477 PolarHBondContact O-N 3.4Å
476D31.7Very low43.8Very low146 Ų146133.2 Ų133.278%0.78173%0.729SS**  trans-88.8102.1163.4-69.5-29.9000107.3E478D476-E478 PolarHBondContact O-N 3.36Å
477K47.1Very low45.6Very low168 Ų168130 Ų13073%0.7371%0.713SS**  trans-92.889.2-179.2-172-179-174.6-167.20105.8K475K475-K477 PolarHBondContact O-N 3.4Å
478E43Very low48.1Very low192 Ų192128.6 Ų128.690%0.89770%0.703SS**SBendtrans169.168.4155.5-94.3163.7-153.300110.3D476D476-E478 PolarHBondContact O-N 3.36Å
479S45.5Very low50.8Low104 Ų104130 Ų13073%0.72770%0.697SS**  trans-175.211.8161.258.70000115.6I481S479-I481 PolarHBondContact O-N 2.92Å
480S47.9Very low53Low107 Ų107127.6 Ų127.675%0.74868%0.678SS**THydrogen-bonded Turntrans-95.522.5-166.283.80000116.3
481I50Low55.5Low157 Ų157126.8 Ų126.881%0.80567%0.668SS**THydrogen-bonded Turntrans-101.8-22.9-179.6-56.1174.1000112S479S479-I481 PolarHBondContact O-N 2.92Å
482D54.4Low57.9Low106 Ų106123.1 Ų123.157%0.56765%0.651SS**SBendtrans-93.2-18.1-171.8-89.9-25000116.1G484 A485 E486D482-G484 PolarHBondContact O-N 3.32Å; D482-G484 VanDerWaalsContact O-N 3.16Å; D482-A485 PolarHBondContact O-N 2.84Å; D482-A485 VanDerWaalsContact O-N 3.13Å; D482-E486 WeakPolarHBondContact O-CG 3.34Å; D482-E486 PolarHBondContact O-N 3.32Å
483T57.4Low60.7Low90 Ų90124.5 Ų124.555%0.55265%0.649SS**Hα-helixtrans-66-26.1-17658.70000113.2L487T483-L487 WeakPolarHBondContact O-CD1 3.46Å; T483-L487 VanDerWaalsContact O-CG 3.29Å; T483-L487 WeakPolarHBondContact O-CG 3.48Å; T483-L487 PolarHBondContact O-N 3.34Å
484G63.7Low63.5Low40 Ų40117.3 Ų117.341%0.41263%0.628SS.*Hα-helixtrans-78.9-32.7175.600000113.4D482 S488D482-G484 PolarHBondContact O-N 3.32Å; D482-G484 VanDerWaalsContact O-N 3.16Å; G484-S488 WeakPolarHBondContact O-CB 3.29Å; G484-S488 PolarHBondContact O-N 3.19Å; G484-S488 VanDerWaalsContact O-N 3.15Å; G484-S488 PolarHBondContact O-OG 3.17Å
485A65.3Low66.1Low56 Ų56115.5 Ų115.546%0.46362%0.616SS.*Hα-helixtrans-71.9-42.3176.100000110.7D482 S488 E489D482-A485 PolarHBondContact O-N 2.84Å; D482-A485 VanDerWaalsContact O-N 3.13Å; A485-S488 PolarHBondContact O-N 2.66Å; A485-E489 WeakPolarHBondContact O-CB 3.48Å; A485-E489 PolarHBondContact O-N 3.46Å
486E69.4Low68.7Low113 Ų113110.1 Ų110.153%0.52860%0.604SS.*Hα-helixtrans-63.4-41.3176.3-70.7-179.7170.800112.4D482 E489 I490D482-E486 WeakPolarHBondContact O-CG 3.34Å; D482-E486 PolarHBondContact O-N 3.32Å; E486-E489 PolarHBondContact O-N 3.27Å; E486-I490 WeakPolarHBondContact O-CD1 3.45Å; E486-I490 WeakPolarHBondContact O-CG1 3.43Å; E486-I490 PolarHBondContact O-N 2.65Å
487L70.8Confident71.5Confident107 Ų107107.9 Ų107.956%0.5659%0.591SS**Hα-helixtrans-66.8-38.9175.6-74.7170.4000112.3T483 E489 I490 D491T483-L487 WeakPolarHBondContact O-CD1 3.46Å; T483-L487 VanDerWaalsContact O-CG 3.29Å; T483-L487 WeakPolarHBondContact O-CG 3.48Å; T483-L487 PolarHBondContact O-N 3.34Å; L487-E489 VanDerWaalsContact C-N 3.33Å; L487-E489 PolarHBondContact O-N 3.36Å; L487-I490 PolarHBondContact O-N 3.46Å; L487-D491 PolarHBondContact O-N 2.9Å
488S82Confident73.3Confident78 Ų78105.4 Ų105.455%0.54558%0.582SS.*Hα-helixtrans-68.1-33.4176.7-56.30000112.1G484 A485 A492G484-S488 WeakPolarHBondContact O-CB 3.29Å; G484-S488 PolarHBondContact O-N 3.19Å; G484-S488 VanDerWaalsContact O-N 3.15Å; G484-S488 PolarHBondContact O-OG 3.17Å; A485-S488 PolarHBondContact O-N 2.66Å; S488-A492 VanDerWaalsContact O-CB 3.31Å; S488-A492 WeakPolarHBondContact O-CB 3.37Å; S488-A492 PolarHBondContact O-N 2.85Å
489E88.2Confident75.4Confident133 Ų133100.8 Ų100.862%0.62156%0.561SS**Hα-helixtrans-68.4-40.2173.7-174.5179.6168.800111.6A485 E486 L487 A492 R493A485-E489 WeakPolarHBondContact O-CB 3.48Å; A485-E489 PolarHBondContact O-N 3.46Å; E486-E489 PolarHBondContact O-N 3.27Å; L487-E489 VanDerWaalsContact C-N 3.33Å; L487-E489 PolarHBondContact O-N 3.36Å; E489-A492 PolarHBondContact O-N 3.23Å; E489-R493 VanDerWaalsContact O-CB 3.3Å; E489-R493 WeakPolarHBondContact O-CB 3.45Å; E489-R493 PolarHBondContact O-N 3.39Å
490I83.7Confident77.4Confident93 Ų93102.6 Ų102.648%0.47755%0.552SS.*Hα-helixtrans-62.5-45.8175.1-69162.7000110.6E486 L487 R493 L494E486-I490 WeakPolarHBondContact O-CD1 3.45Å; E486-I490 WeakPolarHBondContact O-CG1 3.43Å; E486-I490 PolarHBondContact O-N 2.65Å; L487-I490 PolarHBondContact O-N 3.46Å; I490-R493 PolarHBondContact O-N 3.5Å; I490-L494 HydrophobicContact CG2-CD1 4.08Å; I490-L494 WeakPolarHBondContact O-CB 3.25Å; I490-L494 PolarHBondContact O-N 2.89Å
491D90.6Very high79.1Confident105 Ų105102.7 Ų102.756%0.56154%0.543SS*.Hα-helixtrans-65.8-42.6178.5-76.2-17.7000111.9L487 R493 L494 Q495L487-D491 PolarHBondContact O-N 2.9Å; D491-R493 VanDerWaalsContact C-N 3.31Å; D491-R493 PolarHBondContact O-N 3.16Å; D491-L494 PolarHBondContact O-N 3.26Å; D491-Q495 WeakPolarHBondContact O-CB 3.35Å; D491-Q495 PolarHBondContact O-N 2.96Å
492A90.9Very high80.4Confident56 Ų56101.7 Ų101.746%0.46353%0.529SS..Hα-helixtrans-61.5-39.6175.700000112.1S488 E489 Q495 A496S488-A492 VanDerWaalsContact O-CB 3.31Å; S488-A492 WeakPolarHBondContact O-CB 3.37Å; S488-A492 PolarHBondContact O-N 2.85Å; E489-A492 PolarHBondContact O-N 3.23Å; A492-Q495 PolarHBondContact O-N 3.49Å; A492-A496 WeakPolarHBondContact O-CB 3.45Å; A492-A496 PolarHBondContact O-N 3.48Å
493R89.5Confident81.4Confident198 Ų198101.8 Ų101.875%0.74753%0.529SS*.Hα-helixtrans-69.9-37.7177.8-168.6175.9-178.5175.30.6112.2E489 I490 D491 L497E489-R493 VanDerWaalsContact O-CB 3.3Å; E489-R493 WeakPolarHBondContact O-CB 3.45Å; E489-R493 PolarHBondContact O-N 3.39Å; I490-R493 PolarHBondContact O-N 3.5Å; D491-R493 VanDerWaalsContact C-N 3.31Å; D491-R493 PolarHBondContact O-N 3.16Å; R493-L497 WeakPolarHBondContact O-CB 3.47Å; R493-L497 PolarHBondContact O-N 2.91Å
494L92.3Very high82.2Confident86 Ų86102.4 Ų102.445%0.4553%0.528SS..Hα-helixtrans-63.8-42.5172.6-94158.2000111.5I490 D491 L497 Q498I490-L494 HydrophobicContact CG2-CD1 4.08Å; I490-L494 WeakPolarHBondContact O-CB 3.25Å; I490-L494 PolarHBondContact O-N 2.89Å; D491-L494 PolarHBondContact O-N 3.26Å; L494-L497 PolarHBondContact O-N 3Å; L494-Q498 WeakPolarHBondContact O-CG 3.48Å; L494-Q498 PolarHBondContact O-N 2.96Å
495Q90.6Very high82Confident119 Ų119107 Ų10756%0.55654%0.544SS*.Hα-helixtrans-66.2-43178.6-165.8169.18.400111.8D491 A492 L497 Q498 E499D491-Q495 WeakPolarHBondContact O-CB 3.35Å; D491-Q495 PolarHBondContact O-N 2.96Å; A492-Q495 PolarHBondContact O-N 3.49Å; Q495-L497 VanDerWaalsContact C-N 3.3Å; Q495-L497 PolarHBondContact O-N 2.89Å; Q495-Q498 PolarHBondContact O-N 3.24Å; Q495-E499 WeakPolarHBondContact O-CB 3.22Å; Q495-E499 PolarHBondContact O-N 3.4Å
496A89.5Confident81.9Confident59 Ų59109.5 Ų109.549%0.48855%0.553SS.*Hα-helixtrans-61.8-37.6174.700000112.4A492 E499 Y500A492-A496 WeakPolarHBondContact O-CB 3.45Å; A492-A496 PolarHBondContact O-N 3.48Å; A496-E499 PolarHBondContact O-N 2.84Å; A496-Y500 WeakPolarHBondContact O-CB 3.33Å; A496-Y500 PolarHBondContact O-N 3.37Å
497L89.6Confident81.1Confident98 Ų98107 Ų10751%0.51356%0.558SS.*Hα-helixtrans-67.4-41.1175.4-175.166.8000111.8R493 L494 Q495 E499 Y500 M501R493-L497 WeakPolarHBondContact O-CB 3.47Å; R493-L497 PolarHBondContact O-N 2.91Å; L494-L497 PolarHBondContact O-N 3Å; Q495-L497 VanDerWaalsContact C-N 3.3Å; Q495-L497 PolarHBondContact O-N 2.89Å; L497-E499 VanDerWaalsContact C-N 3.32Å; L497-Y500 PolarHBondContact O-N 2.96Å; L497-M501 WeakPolarHBondContact O-CG 3.4Å; L497-M501 PolarHBondContact O-N 3.45Å
498Q84.9Confident80.1Confident117 Ų117114.3 Ų114.355%0.54759%0.589SS.*Hα-helixtrans-65.8-35175.5-74.6176.4-14.400112.4L494 Q495 R502L494-Q498 WeakPolarHBondContact O-CG 3.48Å; L494-Q498 PolarHBondContact O-N 2.96Å; Q495-Q498 PolarHBondContact O-N 3.24Å; Q498-R502 VanDerWaalsContact O-CG 3.31Å; Q498-R502 WeakPolarHBondContact O-CG 3.5Å; Q498-R502 PolarHBondContact O-N 2.66Å; Q498-R502 PolarHBondContact O-NE 3.04Å
499E87.9Confident80Confident94 Ų94116.1 Ų116.144%0.43959%0.591SS.*Hα-helixtrans-69.9-44.7175.5-153145.7-11200111.2Q495 A496 L497 M501 R502 D503Q495-E499 WeakPolarHBondContact O-CB 3.22Å; Q495-E499 PolarHBondContact O-N 3.4Å; A496-E499 PolarHBondContact O-N 2.84Å; L497-E499 VanDerWaalsContact C-N 3.32Å; E499-M501 VanDerWaalsContact C-N 3.33Å; E499-M501 PolarHBondContact O-N 3.06Å; E499-R502 WeakPolarHBondContact O-CB 3.32Å; E499-R502 PolarHBondContact O-N 2.99Å; E499-R502 VanDerWaalsContact O-N 3.12Å; E499-R502 IonicContact OE1-CZ 3.78Å; E499-R502 IonicContact OE1-NH2 2.68Å; E499-R502 PolarHBondContact OE1-NH2 3.37Å; E499-D503 VanDerWaalsContact O-CG 3.32Å; E499-D503 PolarHBondContact O-N 3.2Å
500Y86.9Confident79.6Confident142 Ų142115.2 Ų115.256%0.55759%0.589SS**Hα-helixtrans-59-40.6173.1179.7-105.7000113.2A496 L497 D503 L504A496-Y500 WeakPolarHBondContact O-CB 3.33Å; A496-Y500 PolarHBondContact O-N 3.37Å; L497-Y500 PolarHBondContact O-N 2.96Å; Y500-D503 PolarHBondContact O-N 3.47Å; Y500-L504 HydrophobicContact CD1-CD1 3.93Å; Y500-L504 HydrophobicContact CE1-CD1 3.42Å; Y500-L504 VanDerWaalsContact CE1-CD1 3.42Å; Y500-L504 HydrophobicContact CE1-CG 4.27Å; Y500-L504 HydrophobicContact CE2-CD1 4.48Å; Y500-L504 WeakPolarHBondContact O-CG 3.46Å; Y500-L504 PolarHBondContact O-N 3.43Å; Y500-L504 VanDerWaalsContact O-N 3.1Å
501M84.3Confident79.4Confident110 Ų110116.4 Ų116.454%0.54260%0.595SS.*Hα-helixtrans-67.7-37.6175.4-73.2-175.966.800112.5L497 E499 L504 D505L497-M501 WeakPolarHBondContact O-CG 3.4Å; L497-M501 PolarHBondContact O-N 3.45Å; E499-M501 VanDerWaalsContact C-N 3.33Å; E499-M501 PolarHBondContact O-N 3.06Å; M501-L504 PolarHBondContact O-N 2.91Å; M501-D505 PolarHBondContact O-N 3.49Å; M501-D505 VanDerWaalsContact O-N 3.14Å
502R77.6Confident78.7Confident136 Ų136117.1 Ų117.151%0.51360%0.597SS.*Hα-helixtrans-63.9-41.5173.9-77.8-176.7-69150.12.6111.5Q498 E499 L504 D505 T506Q498-R502 VanDerWaalsContact O-CG 3.31Å; Q498-R502 WeakPolarHBondContact O-CG 3.5Å; Q498-R502 PolarHBondContact O-N 2.66Å; Q498-R502 PolarHBondContact O-NE 3.04Å; E499-R502 WeakPolarHBondContact O-CB 3.32Å; E499-R502 PolarHBondContact O-N 2.99Å; E499-R502 VanDerWaalsContact O-N 3.12Å; E499-R502 IonicContact OE1-CZ 3.78Å; E499-R502 IonicContact OE1-NH2 2.68Å; E499-R502 PolarHBondContact OE1-NH2 3.37Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-L504 PolarHBondContact O-N 2.86Å; R502-D505 PolarHBondContact O-N 2.89Å; R502-T506 PolarHBondContact O-N 3.16Å; R502-T506 VanDerWaalsContact O-N 3.07Å; R502-T506 PolarHBondContact O-OG1 3.43Å; R502-T506 VanDerWaalsContact O-OG1 3.13Å
503D75.5Confident77.9Confident107 Ų107120.9 Ų120.957%0.57261%0.606SS**Hα-helixtrans-66.2-34.9179.4-69-16.3000112.1E499 Y500 T506E499-D503 VanDerWaalsContact O-CG 3.32Å; E499-D503 PolarHBondContact O-N 3.2Å; Y500-D503 PolarHBondContact O-N 3.47Å; D503-T506 WeakPolarHBondContact CA-OG1 3.37Å; D503-T506 PolarHBondContact O-N 2.93Å; D503-T506 PolarHBondContact O-OG1 3.44Å
504L72.6Confident77.2Confident103 Ų103115.8 Ų115.854%0.53960%0.596SS.*Hα-helixtrans-67.5-36.1172.8-74.2173.6000113Y500 M501 R502 T506Y500-L504 HydrophobicContact CD1-CD1 3.93Å; Y500-L504 HydrophobicContact CE1-CD1 3.42Å; Y500-L504 VanDerWaalsContact CE1-CD1 3.42Å; Y500-L504 HydrophobicContact CE1-CG 4.27Å; Y500-L504 HydrophobicContact CE2-CD1 4.48Å; Y500-L504 WeakPolarHBondContact O-CG 3.46Å; Y500-L504 PolarHBondContact O-N 3.43Å; Y500-L504 VanDerWaalsContact O-N 3.1Å; M501-L504 PolarHBondContact O-N 2.91Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-L504 PolarHBondContact O-N 2.86Å; L504-T506 VanDerWaalsContact C-N 3.35Å
505D61Low76.1Confident137 Ų137117.9 Ų117.973%0.73361%0.607SS**Hα-helixtrans-78.9-16.5178.6-78.2-18.2000113.1M501 R502M501-D505 PolarHBondContact O-N 3.49Å; M501-D505 VanDerWaalsContact O-N 3.14Å; R502-D505 PolarHBondContact O-N 2.89Å
506T61.3Low75Confident109 Ų109117.8 Ų117.867%0.66961%0.611SS**THydrogen-bonded Turntrans-94.13.1175520000114.9R502 D503 L504 H508R502-T506 PolarHBondContact O-N 3.16Å; R502-T506 VanDerWaalsContact O-N 3.07Å; R502-T506 PolarHBondContact O-OG1 3.43Å; R502-T506 VanDerWaalsContact O-OG1 3.13Å; D503-T506 WeakPolarHBondContact CA-OG1 3.37Å; D503-T506 PolarHBondContact O-N 2.93Å; D503-T506 PolarHBondContact O-OG1 3.44Å; L504-T506 VanDerWaalsContact C-N 3.35Å; T506-H508 PolarHBondContact O-N 3.39Å; T506-H508 VanDerWaalsContact O-N 3.16Å
507G54.4Low73.8Confident61 Ų61122.8 Ų122.863%0.62962%0.621SS**  trans-84.274.9175.200000113.3
508H49.2Very low72.3Confident259 Ų259125 Ų125100%1.19963%0.631SS**  trans-99.20157-87.4-43.9000110.8T506T506-H508 PolarHBondContact O-N 3.39Å; T506-H508 VanDerWaalsContact O-N 3.16Å

Retrieved 508 of 508 residues in 118.7 ms (Link to these results)

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