G4VGF4_SCHMA Loading...

S-phase kinase-associated protein 1

AlphaFold DB , UniProt , Accession G4VGF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 163 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
1M72.2Confident93.2Very high191 Ų19156.3 Ų56.394%0.94134%0.342SS*.  0139.90-70.1-179.1-76.100106S3 D17M1-S3 PolarHBondContact O-N 2.82Å; M1-D17 WeakPolarHBondContact CB-OD2 3.41Å; M1-D17 WeakPolarHBondContact CE-OD2 3.4Å; M1-D17 VanDerWaalsContact SD-OD2 3.32Å
2P87.4Confident93.7Very high53 Ų5358.2 Ų58.234%0.34434%0.344SS..  trans-57.5139.3178.925.2-32.4000109.1V18 E37P2-V18 HydrophobicContact CB-CB 4.41Å; P2-V18 HydrophobicContact CB-CG2 4.01Å; P2-V18 HydrophobicContact CG-CB 4.17Å; P2-V18 HydrophobicContact CG-CG2 4.31Å; P2-V18 WeakPolarHBondContact O-CG2 3.37Å; P2-V18 PolarHBondContact O-N 3.03Å; P2-E37 WeakPolarHBondContact CB-O 3.45Å; P2-E37 WeakPolarHBondContact CG-O 3.41Å
3S91.3Very high94Very high48 Ų4859.2 Ų59.234%0.33635%0.351SS..EExtended strand (participates in β ladder)trans-122.7157.3-179.876.90000111.1M1 D15 I16 G40M1-S3 PolarHBondContact O-N 2.82Å; S3-D15 WeakPolarHBondContact CB-OD1 3.34Å; S3-D15 PolarHBondContact OG-OD1 2.99Å; S3-I16 CarbonylContact C-O 3.48Å; S3-I16 WeakPolarHBondContact CA-O 3.49Å; S3-I16 WeakPolarHBondContact CB-O 3.27Å; S3-G40 VanDerWaalsContact O-CA 3.25Å; S3-G40 WeakPolarHBondContact O-CA 3.48Å
4I93.5Very high94.3Very high1 Ų156.2 Ų56.21%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-131.8142.3178.5-170.3-179.5000108.7L6 I16 V18 A21 I27 L31 V45I4-L6 HydrophobicContact CD1-CD2 4.18Å; I4-L6 HydrophobicContact CG1-CD2 4.45Å; I4-I16 HydrophobicContact CG2-CG1 3.85Å; I4-I16 PolarHBondContact N-O 2.93Å; I4-I16 PolarHBondContact O-N 3.49Å; I4-V18 HydrophobicContact CB-CG2 4.26Å; I4-V18 HydrophobicContact CG2-CG2 4.43Å; I4-A21 HydrophobicContact CG2-CB 3.66Å; I4-I27 HydrophobicContact CD1-CG2 4.23Å; I4-L31 HydrophobicContact CD1-CD1 4.27Å; I4-L31 HydrophobicContact CD1-CD2 3.81Å; I4-L31 HydrophobicContact CD1-CG 4.18Å; I4-V45 HydrophobicContact CD1-CG2 3.77Å; I4-V45 HydrophobicContact CG1-CG2 4.23Å
5K95.6Very high94.4Very high69 Ų6959.3 Ų59.330%0.335%0.346SS..EExtended strand (participates in β ladder)trans-93.3126.3173.4-67.4178.4-161.5157.20110.1V13 F14 E42 P44 V45K5-V13 HydrophobicContact CB-CG1 3.83Å; K5-V13 HydrophobicContact CD-CG1 4.25Å; K5-V13 HydrophobicContact CG-CG1 4.17Å; K5-F14 CarbonylContact C-O 3.54Å; K5-F14 VanDerWaalsContact CA-O 3.31Å; K5-F14 WeakPolarHBondContact CA-O 3.4Å; K5-E42 PolarHBondContact NZ-O 3.28Å; K5-P44 HydrophobicContact CB-CB 3.98Å; K5-P44 HydrophobicContact CB-CG 4.08Å; K5-P44 HydrophobicContact CD-CG 4.18Å; K5-P44 CarbonylContact O-C 3.55Å; K5-P44 WeakPolarHBondContact O-CA 3.41Å; K5-V45 PolarHBondContact O-N 2.84Å
6L96.7Very high94.4Very high4 Ų456.8 Ų56.82%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-110.6125.9171.9-56.6-178000109.2I4 V13 F14 I16 I27 V45 L47 L55I4-L6 HydrophobicContact CD1-CD2 4.18Å; I4-L6 HydrophobicContact CG1-CD2 4.45Å; L6-V13 CarbonylContact O-C 3.53Å; L6-V13 WeakPolarHBondContact O-CA 3.38Å; L6-F14 PolarHBondContact N-O 3.11Å; L6-F14 PolarHBondContact O-N 3.46Å; L6-I16 HydrophobicContact CD1-CD1 3.5Å; L6-I16 VanDerWaalsContact CD1-CD1 3.5Å; L6-I16 HydrophobicContact CD1-CG1 4.25Å; L6-I16 HydrophobicContact CG-CD1 4.2Å; L6-I16 HydrophobicContact CG-CG1 4.44Å; L6-I27 HydrophobicContact CD1-CD1 3.93Å; L6-I27 HydrophobicContact CD2-CD1 4.06Å; L6-V45 HydrophobicContact CD2-CB 3.94Å; L6-V45 HydrophobicContact CD2-CG1 4.49Å; L6-V45 HydrophobicContact CD2-CG2 4.47Å; L6-L47 HydrophobicContact CB-CD1 4.12Å; L6-L47 HydrophobicContact CD1-CD1 4.1Å; L6-L47 HydrophobicContact CG-CD1 4.49Å; L6-L55 HydrophobicContact CB-CD2 4.32Å
7A97.9Very high94.4Very high18 Ų1855.2 Ų55.215%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-99119.4175.600000110.3V13 P44 V45 L47A7-V13 HydrophobicContact CB-CG2 4.17Å; A7-P44 HydrophobicContact CB-CB 3.83Å; A7-V45 PolarHBondContact N-O 3.26Å; A7-L47 WeakPolarHBondContact O-CB 3.17Å; A7-L47 PolarHBondContact O-N 2.75Å
8S98.4Very high94.3Very high8 Ų852.5 Ų52.56%0.05631%0.305CS..EExtended strand (participates in β ladder)trans-68164.4172.255.10000112.6D10 G11 E12 V50S8-D10 VanDerWaalsContact CB-OD1 3.3Å; S8-D10 WeakPolarHBondContact CB-OD1 3.43Å; S8-D10 PolarHBondContact O-N 3.14Å; S8-D10 PolarHBondContact OG-OD1 3.05Å; S8-G11 PolarHBondContact O-N 3Å; S8-E12 PolarHBondContact N-O 2.96Å; S8-E12 WeakPolarHBondContact OG-CA 3.49Å; S8-E12 WeakPolarHBondContact OG-CB 3.34Å; S8-E12 PolarHBondContact OG-N 2.98Å; S8-E12 PolarHBondContact OG-O 3.01Å; S8-V50 WeakPolarHBondContact CA-O 3.24Å; S8-V50 WeakPolarHBondContact CB-O 3.4Å
9S98.1Very high94.1Very high66 Ų6652.8 Ų52.846%0.46231%0.314SS..THydrogen-bonded Turntrans-64.3-23.4-178.666.80000114.5L47 P48 V50 N51S9-L47 PolarHBondContact N-O 3.28Å; S9-P48 WeakPolarHBondContact CB-O 3.4Å; S9-V50 PolarHBondContact N-O 3.24Å; S9-V50 PolarHBondContact OG-O 2.99Å; S9-N51 WeakPolarHBondContact OG-CA 3.5Å; S9-N51 PolarHBondContact OG-N 3.44Å
10D98.1Very high94.2Very high103 Ų10351.2 Ų51.255%0.55130%0.304SS*.THydrogen-bonded Turntrans-97.29.8174.951.4-10.3000113.2S8 A52S8-D10 VanDerWaalsContact CB-OD1 3.3Å; S8-D10 WeakPolarHBondContact CB-OD1 3.43Å; S8-D10 PolarHBondContact O-N 3.14Å; S8-D10 PolarHBondContact OG-OD1 3.05Å; D10-A52 VanDerWaalsContact OD1-CB 3.31Å; D10-A52 WeakPolarHBondContact OD1-CB 3.37Å; D10-A52 PolarHBondContact OD1-N 2.94Å; D10-A52 PolarHBondContact OD2-N 3.21Å
11G96.4Very high94.2Very high58 Ų5848.9 Ų48.960%0.59829%0.291SS*.SBendtrans891.5166.100000115.7S8S8-G11 PolarHBondContact O-N 3Å
12E98.4Very high95.2Very high79 Ų7942.6 Ų42.637%0.36926%0.258SS..  trans-72.5134170.8-168.6177.1159.400110S8 F14 A52 R56S8-E12 PolarHBondContact N-O 2.96Å; S8-E12 WeakPolarHBondContact OG-CA 3.49Å; S8-E12 WeakPolarHBondContact OG-CB 3.34Å; S8-E12 PolarHBondContact OG-N 2.98Å; S8-E12 PolarHBondContact OG-O 3.01Å; E12-F14 HydrophobicContact CB-CE2 3.91Å; E12-F14 HydrophobicContact CB-CZ 4.46Å; E12-F14 HydrophobicContact CG-CD2 4.45Å; E12-F14 HydrophobicContact CG-CE2 3.8Å; E12-F14 HydrophobicContact CG-CZ 4.05Å; E12-A52 HydrophobicContact CB-CB 3.71Å; E12-A52 HydrophobicContact CG-CB 4.42Å; E12-A52 VanDerWaalsContact OE2-CB 3.32Å; E12-A52 WeakPolarHBondContact OE2-CB 3.46Å; E12-R56 IonicContact OE1-CZ 2.81Å; E12-R56 IonicContact OE1-NH1 3.7Å; E12-R56 PolarHBondContact OE1-NH1 3.4Å; E12-R56 IonicContact OE1-NH2 3.12Å; E12-R56 PolarHBondContact OE1-NH2 3.45Å; E12-R56 IonicContact OE2-NH2 3.59Å; E12-R56 PolarHBondContact OE2-NH2 3.32Å
13V97.8Very high95.5Very high71 Ų7142.9 Ų42.943%0.4326%0.255SS..EExtended strand (participates in β ladder)trans-105.8131.2179.8-179.40000110K5 L6 A7 P44K5-V13 HydrophobicContact CB-CG1 3.83Å; K5-V13 HydrophobicContact CD-CG1 4.25Å; K5-V13 HydrophobicContact CG-CG1 4.17Å; L6-V13 CarbonylContact O-C 3.53Å; L6-V13 WeakPolarHBondContact O-CA 3.38Å; A7-V13 HydrophobicContact CB-CG2 4.17Å; V13-P44 HydrophobicContact CG1-CB 4.13Å; V13-P44 HydrophobicContact CG1-CG 4.02Å; V13-P44 HydrophobicContact CG2-CB 4.33Å; V13-P44 HydrophobicContact CG2-CG 4.2Å
14F97.7Very high95.8Very high18 Ų1840.7 Ų40.78%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-113.4119.2-179.4-64.8-102.3000109.4K5 L6 E12 I16 A52 L55 R56 I59K5-F14 CarbonylContact C-O 3.54Å; K5-F14 VanDerWaalsContact CA-O 3.31Å; K5-F14 WeakPolarHBondContact CA-O 3.4Å; L6-F14 PolarHBondContact N-O 3.11Å; L6-F14 PolarHBondContact O-N 3.46Å; E12-F14 HydrophobicContact CB-CE2 3.91Å; E12-F14 HydrophobicContact CB-CZ 4.46Å; E12-F14 HydrophobicContact CG-CD2 4.45Å; E12-F14 HydrophobicContact CG-CE2 3.8Å; E12-F14 HydrophobicContact CG-CZ 4.05Å; F14-I16 HydrophobicContact CB-CG2 4.3Å; F14-A52 HydrophobicContact CE2-CB 4.04Å; F14-A52 HydrophobicContact CZ-CB 3.98Å; F14-A52 WeakPolarHBondContact CZ-O 3.2Å; F14-L55 HydrophobicContact CD2-CD2 3.54Å; F14-L55 HydrophobicContact CD2-CG 4.15Å; F14-L55 HydrophobicContact CE2-CB 4.36Å; F14-L55 HydrophobicContact CE2-CD2 3.8Å; F14-L55 HydrophobicContact CE2-CG 4.23Å; F14-L55 HydrophobicContact CG-CD2 4.25Å; F14-R56 HydrophobicContact CE1-CB 3.96Å; F14-R56 HydrophobicContact CE1-CG 4.23Å; F14-R56 HydrophobicContact CZ-CB 4.36Å; F14-I59 HydrophobicContact CB-CD1 3.73Å; F14-I59 HydrophobicContact CD1-CD1 3.53Å; F14-I59 HydrophobicContact CE1-CD1 4.29Å; F14-I59 HydrophobicContact CG-CD1 3.72Å
15D95.8Very high95.9Very high103 Ų10343.3 Ų43.355%0.55126%0.255SS*.EExtended strand (participates in β ladder)trans-91.5111.9172.2-165.9-18.3000108.6S3S3-D15 WeakPolarHBondContact CB-OD1 3.34Å; S3-D15 PolarHBondContact OG-OD1 2.99Å
16I95Very high95.9Very high18 Ų1843.2 Ų43.29%0.09226%0.261CS..EExtended strand (participates in β ladder)trans-129.9156.3-174.666.2168.2000111.7S3 I4 L6 F14 V18 A21 I59S3-I16 CarbonylContact C-O 3.48Å; S3-I16 WeakPolarHBondContact CA-O 3.49Å; S3-I16 WeakPolarHBondContact CB-O 3.27Å; I4-I16 HydrophobicContact CG2-CG1 3.85Å; I4-I16 PolarHBondContact N-O 2.93Å; I4-I16 PolarHBondContact O-N 3.49Å; L6-I16 HydrophobicContact CD1-CD1 3.5Å; L6-I16 VanDerWaalsContact CD1-CD1 3.5Å; L6-I16 HydrophobicContact CD1-CG1 4.25Å; L6-I16 HydrophobicContact CG-CD1 4.2Å; L6-I16 HydrophobicContact CG-CG1 4.44Å; F14-I16 HydrophobicContact CB-CG2 4.3Å; I16-V18 PolarHBondContact O-N 2.82Å; I16-A21 HydrophobicContact CD1-CB 3.79Å; I16-A21 HydrophobicContact CG1-CB 4.29Å; I16-I59 HydrophobicContact CD1-CG1 4.35Å; I16-I59 HydrophobicContact CG2-CD1 3.84Å; I16-I59 HydrophobicContact CG2-CG1 4.19Å; I16-I59 HydrophobicContact CG2-CG2 3.87Å
17D93.9Very high95.7Very high30 Ų3043.3 Ų43.316%0.1626%0.261CS..EExtended strand (participates in β ladder)trans-63134.5174.3-164.6-53.8000110.6M1 A19 I20 A21M1-D17 WeakPolarHBondContact CB-OD2 3.41Å; M1-D17 WeakPolarHBondContact CE-OD2 3.4Å; M1-D17 VanDerWaalsContact SD-OD2 3.32Å; D17-A19 PolarHBondContact O-N 3.32Å; D17-A19 VanDerWaalsContact OD1-CB 3.26Å; D17-A19 WeakPolarHBondContact OD1-CB 3.27Å; D17-A19 PolarHBondContact OD1-N 2.96Å; D17-I20 HydrophobicContact CB-CB 4.47Å; D17-I20 HydrophobicContact CB-CD1 3.91Å; D17-I20 HydrophobicContact CB-CG1 4.1Å; D17-I20 WeakPolarHBondContact O-CB 3.41Å; D17-I20 PolarHBondContact O-N 2.94Å; D17-A21 PolarHBondContact O-N 2.91Å
18V92.4Very high95.5Very high7 Ų746.8 Ų46.84%0.04227%0.273CS..Hα-helixtrans-54.6-34.5175.3165.40000111.7P2 I4 I16 I20 A21 K22 L31P2-V18 HydrophobicContact CB-CB 4.41Å; P2-V18 HydrophobicContact CB-CG2 4.01Å; P2-V18 HydrophobicContact CG-CB 4.17Å; P2-V18 HydrophobicContact CG-CG2 4.31Å; P2-V18 WeakPolarHBondContact O-CG2 3.37Å; P2-V18 PolarHBondContact O-N 3.03Å; I4-V18 HydrophobicContact CB-CG2 4.26Å; I4-V18 HydrophobicContact CG2-CG2 4.43Å; I16-V18 PolarHBondContact O-N 2.82Å; V18-I20 VanDerWaalsContact C-N 3.32Å; V18-I20 PolarHBondContact O-N 3.47Å; V18-A21 PolarHBondContact O-N 3.21Å; V18-K22 HydrophobicContact CG1-CD 4.05Å; V18-K22 HydrophobicContact CG1-CG 4.22Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.34Å; V18-K22 PolarHBondContact O-N 3.29Å; V18-L31 HydrophobicContact CG1-CD1 3.91Å
19A91.6Very high95.3Very high59 Ų5949.6 Ų49.649%0.48829%0.29SS..Hα-helixtrans-63.6-36.4176.600000112.6D17D17-A19 PolarHBondContact O-N 3.32Å; D17-A19 VanDerWaalsContact OD1-CB 3.26Å; D17-A19 WeakPolarHBondContact OD1-CB 3.27Å; D17-A19 PolarHBondContact OD1-N 2.96Å
20I95Very high95Very high19 Ų1948.8 Ų48.810%0.09728%0.279CS..Hα-helixtrans-71.5-43.2174.8-63.5168.1000109.4D17 V18 K22 Q23 C62 T63 K66D17-I20 HydrophobicContact CB-CB 4.47Å; D17-I20 HydrophobicContact CB-CD1 3.91Å; D17-I20 HydrophobicContact CB-CG1 4.1Å; D17-I20 WeakPolarHBondContact O-CB 3.41Å; D17-I20 PolarHBondContact O-N 2.94Å; V18-I20 VanDerWaalsContact C-N 3.32Å; V18-I20 PolarHBondContact O-N 3.47Å; I20-K22 VanDerWaalsContact C-N 3.27Å; I20-K22 PolarHBondContact O-N 2.81Å; I20-Q23 WeakPolarHBondContact O-CB 3.5Å; I20-Q23 PolarHBondContact O-N 3.45Å; I20-C62 HydrophobicContact CG2-CB 3.61Å; I20-T63 HydrophobicContact CD1-CG2 4.11Å; I20-K66 HydrophobicContact CG1-CD 4.07Å
21A94.3Very high94.6Very high4 Ų443.9 Ų43.93%0.03325%0.253CS..Hα-helixtrans-61.6-34.4179.400000112.7I4 I16 D17 V18 Q23 S24 I27I4-A21 HydrophobicContact CG2-CB 3.66Å; I16-A21 HydrophobicContact CD1-CB 3.79Å; I16-A21 HydrophobicContact CG1-CB 4.29Å; D17-A21 PolarHBondContact O-N 2.91Å; V18-A21 PolarHBondContact O-N 3.21Å; A21-Q23 PolarHBondContact O-N 2.91Å; A21-Q23 VanDerWaalsContact O-N 3.17Å; A21-S24 WeakPolarHBondContact O-CB 3.35Å; A21-S24 PolarHBondContact O-N 3.41Å; A21-I27 HydrophobicContact CB-CG2 3.97Å
22K93Very high94.4Very high59 Ų5944.3 Ų44.326%0.25724%0.241SC..THydrogen-bonded Turntrans-69.3-5179.3-79.3-174.7168.4-164.80115.1V18 I20 S24 K28 L31 D32 E37V18-K22 HydrophobicContact CG1-CD 4.05Å; V18-K22 HydrophobicContact CG1-CG 4.22Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.34Å; V18-K22 PolarHBondContact O-N 3.29Å; I20-K22 VanDerWaalsContact C-N 3.27Å; I20-K22 PolarHBondContact O-N 2.81Å; K22-S24 PolarHBondContact O-N 3.41Å; K22-K28 HydrophobicContact CB-CB 4.42Å; K22-K28 HydrophobicContact CB-CG 4.5Å; K22-K28 HydrophobicContact CD-CG 4.44Å; K22-K28 HydrophobicContact CG-CB 4.17Å; K22-K28 HydrophobicContact CG-CG 4.11Å; K22-L31 HydrophobicContact CG-CD1 4.38Å; K22-D32 IonicContact NZ-OD1 3.47Å; K22-D32 PolarHBondContact NZ-OD1 3.28Å; K22-E37 VanDerWaalsContact NZ-CD 3.28Å; K22-E37 IonicContact NZ-OE1 2.65Å; K22-E37 PolarHBondContact NZ-OE1 3.45Å
23Q94.7Very high94Very high58 Ų5846.8 Ų46.827%0.27126%0.257SS..THydrogen-bonded Turntrans-64.9-26.6165-73.6-87.328.600112.2I20 A21 C62 H65I20-Q23 WeakPolarHBondContact O-CB 3.5Å; I20-Q23 PolarHBondContact O-N 3.45Å; A21-Q23 PolarHBondContact O-N 2.91Å; A21-Q23 VanDerWaalsContact O-N 3.17Å; Q23-C62 HydrophobicContact CB-CB 4.03Å; Q23-C62 HydrophobicContact CG-CB 4.01Å; Q23-H65 PolarHBondContact NE2-O 3.02Å
24S96.5Very high93.5Very high3 Ų348.7 Ų48.72%0.02127%0.265CS..SBendtrans-82.7120.6168.5164.30000109.2A21 K22 T26 I27 K28 L110A21-S24 WeakPolarHBondContact O-CB 3.35Å; A21-S24 PolarHBondContact O-N 3.41Å; K22-S24 PolarHBondContact O-N 3.41Å; S24-T26 VanDerWaalsContact C-N 3.27Å; S24-T26 PolarHBondContact O-N 3Å; S24-T26 PolarHBondContact OG-N 3.08Å; S24-I27 PolarHBondContact O-N 3.01Å; S24-I27 WeakPolarHBondContact OG-CG1 3.41Å; S24-I27 PolarHBondContact OG-N 3.46Å; S24-K28 VanDerWaalsContact O-CB 3.25Å; S24-K28 WeakPolarHBondContact O-CB 3.07Å; S24-K28 PolarHBondContact O-N 2.86Å; S24-L110 WeakPolarHBondContact CA-O 3.42Å; S24-L110 VanDerWaalsContact CB-O 3.26Å; S24-L110 WeakPolarHBondContact CB-O 3.49Å; S24-L110 PolarHBondContact OG-O 2.9Å
25V96Very high92.8Very high55 Ų5550.9 Ų50.933%0.33329%0.292SS..Hα-helixtrans-63.5-39174.5177.60000110.1I27 K28 T29 D111V25-I27 PolarHBondContact O-N 3.18Å; V25-K28 PolarHBondContact O-N 2.93Å; V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 PolarHBondContact O-N 3.22Å; V25-T29 PolarHBondContact O-OG1 2.7Å; V25-T29 VanDerWaalsContact O-OG1 3.11Å; V25-D111 HydrophobicContact CB-CB 3.93Å; V25-D111 WeakPolarHBondContact CB-OD2 3.43Å; V25-D111 PolarHBondContact N-O 2.66Å; V25-D111 VanDerWaalsContact N-O 3.14Å
26T95.4Very high92Very high67 Ų6747.5 Ų47.541%0.41127%0.274SS..Hα-helixtrans-58.1-49.1176.7-51.70000112.3S24 M30 L110S24-T26 VanDerWaalsContact C-N 3.27Å; S24-T26 PolarHBondContact O-N 3Å; S24-T26 PolarHBondContact OG-N 3.08Å; T26-M30 PolarHBondContact O-N 2.94Å; T26-L110 PolarHBondContact OG1-O 3.05Å
27I93.8Very high90.9Very high6 Ų650.7 Ų50.73%0.03129%0.288CS..Hα-helixtrans-69.7-39.8-179.9-64.8170.4000110.6I4 L6 A21 S24 V25 M30 L31 L110I4-I27 HydrophobicContact CD1-CG2 4.23Å; L6-I27 HydrophobicContact CD1-CD1 3.93Å; L6-I27 HydrophobicContact CD2-CD1 4.06Å; A21-I27 HydrophobicContact CB-CG2 3.97Å; S24-I27 PolarHBondContact O-N 3.01Å; S24-I27 WeakPolarHBondContact OG-CG1 3.41Å; S24-I27 PolarHBondContact OG-N 3.46Å; V25-I27 PolarHBondContact O-N 3.18Å; I27-M30 HydrophobicContact CB-CE 4.24Å; I27-M30 HydrophobicContact CG1-CE 4.29Å; I27-M30 HydrophobicContact CG2-CE 3.96Å; I27-M30 PolarHBondContact O-N 3.1Å; I27-L31 HydrophobicContact CG2-CD1 4.09Å; I27-L31 HydrophobicContact CG2-CG 4.41Å; I27-L31 WeakPolarHBondContact O-CG 3.21Å; I27-L31 PolarHBondContact O-N 3.27Å; I27-L110 HydrophobicContact CD1-CD2 4.36Å
28K93.2Very high90Very high92 Ų9257.5 Ų57.540%0.432%0.319SS..Hα-helixtrans-57.3-53.2175.5-179.5-175.8173-173.20111.5K22 S24 V25 M30 L31 D32K22-K28 HydrophobicContact CB-CB 4.42Å; K22-K28 HydrophobicContact CB-CG 4.5Å; K22-K28 HydrophobicContact CD-CG 4.44Å; K22-K28 HydrophobicContact CG-CB 4.17Å; K22-K28 HydrophobicContact CG-CG 4.11Å; S24-K28 VanDerWaalsContact O-CB 3.25Å; S24-K28 WeakPolarHBondContact O-CB 3.07Å; S24-K28 PolarHBondContact O-N 2.86Å; V25-K28 PolarHBondContact O-N 2.93Å; K28-M30 VanDerWaalsContact C-N 3.28Å; K28-M30 PolarHBondContact O-N 2.83Å; K28-L31 PolarHBondContact O-N 3.02Å; K28-L31 VanDerWaalsContact O-N 3.15Å; K28-D32 WeakPolarHBondContact O-CB 3.21Å; K28-D32 PolarHBondContact O-N 3.44Å
29T93.9Very high88.8Confident66 Ų6665.6 Ų65.641%0.40536%0.357SS..Hα-helixtrans-57.2-42.2179.8-63.10000111.8V25 D32 D33V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 PolarHBondContact O-N 3.22Å; V25-T29 PolarHBondContact O-OG1 2.7Å; V25-T29 VanDerWaalsContact O-OG1 3.11Å; T29-D32 PolarHBondContact O-N 2.85Å; T29-D33 VanDerWaalsContact O-CB 3.32Å; T29-D33 WeakPolarHBondContact O-CB 3.44Å; T29-D33 VanDerWaalsContact O-CG 3.23Å; T29-D33 PolarHBondContact O-N 3.07Å
30M91.7Very high87.4Confident50 Ų5063.3 Ų63.325%0.24634%0.338CS..Hα-helixtrans-64-42.2177.3179.1-120.7-35.100112.9T26 I27 K28 L34 V45T26-M30 PolarHBondContact O-N 2.94Å; I27-M30 HydrophobicContact CB-CE 4.24Å; I27-M30 HydrophobicContact CG1-CE 4.29Å; I27-M30 HydrophobicContact CG2-CE 3.96Å; I27-M30 PolarHBondContact O-N 3.1Å; K28-M30 VanDerWaalsContact C-N 3.28Å; K28-M30 PolarHBondContact O-N 2.83Å; M30-L34 HydrophobicContact CG-CD1 4.12Å; M30-L34 WeakPolarHBondContact O-CB 3.43Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 3.13Å; M30-L34 VanDerWaalsContact O-N 3.15Å; M30-L34 HydrophobicContact SD-CD1 4.48Å; M30-V45 HydrophobicContact CE-CB 4.3Å; M30-V45 HydrophobicContact CE-CG1 3.54Å; M30-V45 HydrophobicContact CE-CG2 3.87Å; M30-V45 HydrophobicContact SD-CG1 4.13Å; M30-V45 HydrophobicContact SD-CG2 3.83Å
31L90.9Very high86.1Confident0 Ų065.2 Ų65.20%035%0.349CS..Hα-helixtrans-64.1-43.2175.6-78.2173.6000112.3I4 V18 K22 I27 K28 G35 L36I4-L31 HydrophobicContact CD1-CD1 4.27Å; I4-L31 HydrophobicContact CD1-CD2 3.81Å; I4-L31 HydrophobicContact CD1-CG 4.18Å; V18-L31 HydrophobicContact CG1-CD1 3.91Å; K22-L31 HydrophobicContact CG-CD1 4.38Å; I27-L31 HydrophobicContact CG2-CD1 4.09Å; I27-L31 HydrophobicContact CG2-CG 4.41Å; I27-L31 WeakPolarHBondContact O-CG 3.21Å; I27-L31 PolarHBondContact O-N 3.27Å; K28-L31 PolarHBondContact O-N 3.02Å; K28-L31 VanDerWaalsContact O-N 3.15Å; L31-G35 PolarHBondContact O-N 3.38Å; L31-G35 VanDerWaalsContact O-N 3.1Å; L31-L36 HydrophobicContact CD2-CB 3.71Å; L31-L36 PolarHBondContact O-N 3.5Å; L31-L36 VanDerWaalsContact O-N 3.08Å
32D90.8Very high85.3Confident66 Ų6673.1 Ų73.135%0.35339%0.385SS..Hα-helixtrans-66.1-43.6-179.6-62-1000110.3K22 K28 T29 L34 G35K22-D32 IonicContact NZ-OD1 3.47Å; K22-D32 PolarHBondContact NZ-OD1 3.28Å; K28-D32 WeakPolarHBondContact O-CB 3.21Å; K28-D32 PolarHBondContact O-N 3.44Å; T29-D32 PolarHBondContact O-N 2.85Å; D32-L34 PolarHBondContact O-N 3.2Å; D32-G35 PolarHBondContact O-N 3.09Å
33D90.3Very high85.1Confident131 Ų13176.7 Ų76.770%0.70140%0.403SS*.Hα-helixtrans-68.6-32.8-179.3-76-14.7000113.4T29T29-D33 VanDerWaalsContact O-CB 3.32Å; T29-D33 WeakPolarHBondContact O-CB 3.44Å; T29-D33 VanDerWaalsContact O-CG 3.23Å; T29-D33 PolarHBondContact O-N 3.07Å
34L86.9Confident85Confident112 Ų11275.5 Ų75.559%0.58640%0.4SS*.Hα-helixtrans-92.1-6.4179.9-63.9177.5000113.5M30 D32 L36M30-L34 HydrophobicContact CG-CD1 4.12Å; M30-L34 WeakPolarHBondContact O-CB 3.43Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 3.13Å; M30-L34 VanDerWaalsContact O-N 3.15Å; M30-L34 HydrophobicContact SD-CD1 4.48Å; D32-L34 PolarHBondContact O-N 3.2Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CD1 3.58Å; L34-L36 HydrophobicContact CB-CG 3.7Å; L34-L36 HydrophobicContact CD1-CD1 3.71Å; L34-L36 HydrophobicContact CG-CD1 4.31Å; L34-L36 PolarHBondContact O-N 3.4Å
35G84.4Confident84.9Confident63 Ų6376.3 Ų76.365%0.64941%0.405SS*.THydrogen-bonded Turntrans65.931.1-17800000113.6L31 D32L31-G35 PolarHBondContact O-N 3.38Å; L31-G35 VanDerWaalsContact O-N 3.1Å; D32-G35 PolarHBondContact O-N 3.09Å
36L79.5Confident84.9Confident33 Ų3378.1 Ų78.117%0.17342%0.418CS..  trans-92.67.9-173.1-68171.3000113.9L31 L34 E38 G40 D41L31-L36 HydrophobicContact CD2-CB 3.71Å; L31-L36 PolarHBondContact O-N 3.5Å; L31-L36 VanDerWaalsContact O-N 3.08Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CD1 3.58Å; L34-L36 HydrophobicContact CB-CG 3.7Å; L34-L36 HydrophobicContact CD1-CD1 3.71Å; L34-L36 HydrophobicContact CG-CD1 4.31Å; L34-L36 PolarHBondContact O-N 3.4Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 3.15Å; L36-G40 PolarHBondContact O-N 3.39Å; L36-D41 HydrophobicContact CD1-CB 4.09Å
37E71.6Confident85Confident84 Ų8475.3 Ų75.339%0.39340%0.4SS..THydrogen-bonded Turntrans-62-36.4-172.9-57.2-168.7142.200114.2P2 K22P2-E37 WeakPolarHBondContact CB-O 3.45Å; P2-E37 WeakPolarHBondContact CG-O 3.41Å; K22-E37 VanDerWaalsContact NZ-CD 3.28Å; K22-E37 IonicContact NZ-OE1 2.65Å; K22-E37 PolarHBondContact NZ-OE1 3.45Å
38E74Confident85.1Confident174 Ų17478.9 Ų78.981%0.81342%0.424SS*.THydrogen-bonded Turntrans-88.5-33.3-171.7-65.3-169.8165.600113.5L36L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 3.15Å
39Q67.5Low85.3Confident177 Ų17779.9 Ų79.983%0.82743%0.433SS*.THydrogen-bonded Turntrans-105.8-20.7-172-64.6-177.310.700112.8
40G62.9Low85.5Confident10 Ų1076.9 Ų76.910%0.10342%0.415CS..  trans66.8161.5-163.700000111.2S3 L36S3-G40 VanDerWaalsContact O-CA 3.25Å; S3-G40 WeakPolarHBondContact O-CA 3.48Å; L36-G40 PolarHBondContact O-N 3.39Å
41D67Low85.8Confident60 Ų6076.7 Ų76.732%0.32142%0.415SS..  trans-90.6136.1167.5-151.2-28.9000109.4L36 E43L36-D41 HydrophobicContact CD1-CB 4.09Å; D41-E43 VanDerWaalsContact C-N 3.26Å; D41-E43 PolarHBondContact OD1-N 2.79Å
42E77.1Confident86.2Confident169 Ų16976.8 Ų76.879%0.7942%0.416SS*.SBendtrans-72.8-27.2170.2-75.4-165.3168.600111.2K5K5-E42 PolarHBondContact NZ-O 3.28Å
43E88.8Confident86.5Confident135 Ų13575.7 Ų75.763%0.63142%0.42SS*.SBendtrans-80.3126.7178.3-171.660.8-141.100110.6D41 V45D41-E43 VanDerWaalsContact C-N 3.26Å; D41-E43 PolarHBondContact OD1-N 2.79Å; E43-V45 PolarHBondContact O-N 2.81Å
44P93Very high86.9Confident33 Ų3369.8 Ų69.821%0.21439%0.388CS..PPolyproline II helixtrans-63.1128.6177.9-22.834000113.1K5 A7 V13 P46K5-P44 HydrophobicContact CB-CB 3.98Å; K5-P44 HydrophobicContact CB-CG 4.08Å; K5-P44 HydrophobicContact CD-CG 4.18Å; K5-P44 CarbonylContact O-C 3.55Å; K5-P44 WeakPolarHBondContact O-CA 3.41Å; A7-P44 HydrophobicContact CB-CB 3.83Å; V13-P44 HydrophobicContact CG1-CB 4.13Å; V13-P44 HydrophobicContact CG1-CG 4.02Å; V13-P44 HydrophobicContact CG2-CB 4.33Å; V13-P44 HydrophobicContact CG2-CG 4.2Å; P44-P46 WeakPolarHBondContact O-CD 3.25Å
45V94.2Very high87.5Confident20 Ų2064.5 Ų64.512%0.12136%0.361CS..EExtended strand (participates in β ladder)trans-69.9119.1171.3179.50000109.2I4 K5 L6 A7 M30 E43 L47I4-V45 HydrophobicContact CD1-CG2 3.77Å; I4-V45 HydrophobicContact CG1-CG2 4.23Å; K5-V45 PolarHBondContact O-N 2.84Å; L6-V45 HydrophobicContact CD2-CB 3.94Å; L6-V45 HydrophobicContact CD2-CG1 4.49Å; L6-V45 HydrophobicContact CD2-CG2 4.47Å; A7-V45 PolarHBondContact N-O 3.26Å; M30-V45 HydrophobicContact CE-CB 4.3Å; M30-V45 HydrophobicContact CE-CG1 3.54Å; M30-V45 HydrophobicContact CE-CG2 3.87Å; M30-V45 HydrophobicContact SD-CG1 4.13Å; M30-V45 HydrophobicContact SD-CG2 3.83Å; E43-V45 PolarHBondContact O-N 2.81Å; V45-L47 HydrophobicContact CG1-CD2 4.49Å
46P96.1Very high88.2Confident93 Ų9367.4 Ų67.460%0.60435%0.352SS*.EExtended strand (participates in β ladder)trans-77129.7-17930.5-33.7000111.9P44 P48P44-P46 WeakPolarHBondContact O-CD 3.25Å; P46-P48 VanDerWaalsContact C-CD 3.48Å; P46-P48 VanDerWaalsContact O-CD 3.26Å; P46-P48 WeakPolarHBondContact O-CD 3.5Å
47L97.4Very high89.1Confident8 Ų868.6 Ų68.64%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-114.674.9174-59.8-176.3000109.7L6 A7 S9 V45 N49 V50 L55 Y109 L110L6-L47 HydrophobicContact CB-CD1 4.12Å; L6-L47 HydrophobicContact CD1-CD1 4.1Å; L6-L47 HydrophobicContact CG-CD1 4.49Å; A7-L47 WeakPolarHBondContact O-CB 3.17Å; A7-L47 PolarHBondContact O-N 2.75Å; S9-L47 PolarHBondContact N-O 3.28Å; V45-L47 HydrophobicContact CG1-CD2 4.49Å; L47-N49 PolarHBondContact O-N 3.25Å; L47-V50 PolarHBondContact O-N 2.84Å; L47-V50 VanDerWaalsContact O-N 3.16Å; L47-L55 HydrophobicContact CD1-CD1 3.82Å; L47-L55 HydrophobicContact CD1-CD2 4.11Å; L47-Y109 HydrophobicContact CD2-CE1 4.41Å; L47-L110 HydrophobicContact CD1-CD2 4.17Å; L47-L110 HydrophobicContact CD2-CD2 3.82Å
48P96.9Very high90.4Very high81 Ų8164.9 Ų64.953%0.52634%0.339SS..THydrogen-bonded Turntrans-66.2-14.5-170.128.2-37.4000114.4S9 P46S9-P48 WeakPolarHBondContact CB-O 3.4Å; P46-P48 VanDerWaalsContact C-CD 3.48Å; P46-P48 VanDerWaalsContact O-CD 3.26Å; P46-P48 WeakPolarHBondContact O-CD 3.5Å
49N96.2Very high91.6Very high113 Ų11357.7 Ų57.760%0.60431%0.306SS*.THydrogen-bonded Turntrans-99.83.9-178.6-61.1-37.5000113.4L47 Y109L47-N49 PolarHBondContact O-N 3.25Å; N49-Y109 HydrophobicContact CB-CD1 3.97Å; N49-Y109 HydrophobicContact CB-CD2 4.36Å; N49-Y109 HydrophobicContact CB-CE1 3.95Å; N49-Y109 HydrophobicContact CB-CE2 4.36Å; N49-Y109 HydrophobicContact CB-CG 4.18Å; N49-Y109 WeakPolarHBondContact ND2-CE2 3.35Å
50V98.3Very high93Very high2 Ų254 Ų541%0.01229%0.288CS..  trans-131.9116.5-176.6-166.90000109.8S8 S9 L47 I54 L55 A106 Y109 L110S8-V50 WeakPolarHBondContact CA-O 3.24Å; S8-V50 WeakPolarHBondContact CB-O 3.4Å; S9-V50 PolarHBondContact N-O 3.24Å; S9-V50 PolarHBondContact OG-O 2.99Å; L47-V50 PolarHBondContact O-N 2.84Å; L47-V50 VanDerWaalsContact O-N 3.16Å; V50-I54 HydrophobicContact CG1-CB 4.09Å; V50-I54 HydrophobicContact CG1-CG2 3.88Å; V50-L55 HydrophobicContact CG1-CB 3.86Å; V50-L55 HydrophobicContact CG1-CD1 4.47Å; V50-A106 HydrophobicContact CG1-CB 3.99Å; V50-A106 HydrophobicContact CG2-CB 3.98Å; V50-Y109 HydrophobicContact CG2-CD1 3.72Å; V50-Y109 HydrophobicContact CG2-CE1 4.09Å; V50-L110 HydrophobicContact CG2-CD1 4.44Å
51N98.5Very high94.7Very high46 Ų4654 Ų5425%0.24629%0.285CS..  trans-72.9162.6174.270.656.4000111.4S9 G53 I54 L55 E102S9-N51 WeakPolarHBondContact OG-CA 3.5Å; S9-N51 PolarHBondContact OG-N 3.44Å; N51-G53 VanDerWaalsContact C-N 3.31Å; N51-G53 PolarHBondContact O-N 3.48Å; N51-G53 WeakPolarHBondContact OD1-CA 3.3Å; N51-G53 PolarHBondContact OD1-N 2.98Å; N51-I54 PolarHBondContact O-N 3.01Å; N51-I54 WeakPolarHBondContact OD1-CG1 3.38Å; N51-I54 PolarHBondContact OD1-N 3.25Å; N51-L55 WeakPolarHBondContact O-CB 3.4Å; N51-L55 PolarHBondContact O-N 2.77Å; N51-E102 PolarHBondContact ND2-OE2 2.66Å
52A98.6Very high96.2Very high3 Ų351.5 Ų51.53%0.02527%0.272CS..Hα-helixtrans-59.6-37.9-176.300000113.7D10 E12 F14 L55 R56D10-A52 VanDerWaalsContact OD1-CB 3.31Å; D10-A52 WeakPolarHBondContact OD1-CB 3.37Å; D10-A52 PolarHBondContact OD1-N 2.94Å; D10-A52 PolarHBondContact OD2-N 3.21Å; E12-A52 HydrophobicContact CB-CB 3.71Å; E12-A52 HydrophobicContact CG-CB 4.42Å; E12-A52 VanDerWaalsContact OE2-CB 3.32Å; E12-A52 WeakPolarHBondContact OE2-CB 3.46Å; F14-A52 HydrophobicContact CE2-CB 4.04Å; F14-A52 HydrophobicContact CZ-CB 3.98Å; F14-A52 WeakPolarHBondContact CZ-O 3.2Å; A52-L55 PolarHBondContact O-N 3.26Å; A52-R56 WeakPolarHBondContact O-CB 3.42Å; A52-R56 PolarHBondContact O-N 3.26Å
53G98.4Very high97.2Very high42 Ų4246.2 Ų46.243%0.43325%0.251SS..Hα-helixtrans-62.3-45.2179.500000112.3N51 K57N51-G53 VanDerWaalsContact C-N 3.31Å; N51-G53 PolarHBondContact O-N 3.48Å; N51-G53 WeakPolarHBondContact OD1-CA 3.3Å; N51-G53 PolarHBondContact OD1-N 2.98Å; G53-K57 PolarHBondContact O-N 3.16Å
54I98.7Very high97.6Very high7 Ų745.4 Ų45.44%0.03624%0.244CC..Hα-helixtrans-73.2-42.6177.9-61.4-64.4000110.8V50 N51 R56 K57 V58 T99 E102 L103 A106V50-I54 HydrophobicContact CG1-CB 4.09Å; V50-I54 HydrophobicContact CG1-CG2 3.88Å; N51-I54 PolarHBondContact O-N 3.01Å; N51-I54 WeakPolarHBondContact OD1-CG1 3.38Å; N51-I54 PolarHBondContact OD1-N 3.25Å; I54-R56 VanDerWaalsContact C-N 3.27Å; I54-R56 PolarHBondContact O-N 2.96Å; I54-K57 WeakPolarHBondContact O-CB 3.42Å; I54-K57 PolarHBondContact O-N 3.31Å; I54-V58 HydrophobicContact CG2-CG2 4.29Å; I54-V58 WeakPolarHBondContact O-CG2 3.46Å; I54-V58 PolarHBondContact O-N 2.95Å; I54-T99 HydrophobicContact CD1-CG2 3.98Å; I54-E102 HydrophobicContact CD1-CB 3.49Å; I54-E102 VanDerWaalsContact CD1-CB 3.49Å; I54-E102 HydrophobicContact CD1-CG 4.47Å; I54-E102 VanDerWaalsContact CD1-OE2 3.29Å; I54-E102 WeakPolarHBondContact CD1-OE2 3.37Å; I54-E102 HydrophobicContact CG1-CB 3.73Å; I54-E102 WeakPolarHBondContact CG1-OE2 3.48Å; I54-L103 HydrophobicContact CD1-CG 4.39Å; I54-L103 HydrophobicContact CG2-CD2 4.14Å; I54-A106 HydrophobicContact CG2-CB 3.69Å
55L98.7Very high97.7Very high2 Ų244.4 Ų44.41%0.0124%0.236CC..Hα-helixtrans-59.1-40.1177.8-175.154.8000111.6L6 F14 L47 V50 N51 A52 K57 V58 I59L6-L55 HydrophobicContact CB-CD2 4.32Å; F14-L55 HydrophobicContact CD2-CD2 3.54Å; F14-L55 HydrophobicContact CD2-CG 4.15Å; F14-L55 HydrophobicContact CE2-CB 4.36Å; F14-L55 HydrophobicContact CE2-CD2 3.8Å; F14-L55 HydrophobicContact CE2-CG 4.23Å; F14-L55 HydrophobicContact CG-CD2 4.25Å; L47-L55 HydrophobicContact CD1-CD1 3.82Å; L47-L55 HydrophobicContact CD1-CD2 4.11Å; V50-L55 HydrophobicContact CG1-CB 3.86Å; V50-L55 HydrophobicContact CG1-CD1 4.47Å; N51-L55 WeakPolarHBondContact O-CB 3.4Å; N51-L55 PolarHBondContact O-N 2.77Å; A52-L55 PolarHBondContact O-N 3.26Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.43Å; L55-V58 PolarHBondContact O-N 3.5Å; L55-I59 HydrophobicContact CD1-CD1 4.17Å; L55-I59 HydrophobicContact CD1-CG1 4.29Å; L55-I59 HydrophobicContact CG-CD1 3.88Å; L55-I59 HydrophobicContact CG-CG1 4.47Å; L55-I59 WeakPolarHBondContact O-CB 3.32Å; L55-I59 WeakPolarHBondContact O-CD1 3.45Å; L55-I59 VanDerWaalsContact O-CG1 3.26Å; L55-I59 WeakPolarHBondContact O-CG1 3.34Å; L55-I59 PolarHBondContact O-N 2.84Å
56R98.6Very high97.6Very high124 Ų12447.8 Ų47.847%0.46825%0.249SC..Hα-helixtrans-60.4-40.9175.4-164.6-177-47.3-75.3-4.7112.4E12 F14 A52 I54 Q60E12-R56 IonicContact OE1-CZ 2.81Å; E12-R56 IonicContact OE1-NH1 3.7Å; E12-R56 PolarHBondContact OE1-NH1 3.4Å; E12-R56 IonicContact OE1-NH2 3.12Å; E12-R56 PolarHBondContact OE1-NH2 3.45Å; E12-R56 IonicContact OE2-NH2 3.59Å; E12-R56 PolarHBondContact OE2-NH2 3.32Å; F14-R56 HydrophobicContact CE1-CB 3.96Å; F14-R56 HydrophobicContact CE1-CG 4.23Å; F14-R56 HydrophobicContact CZ-CB 4.36Å; A52-R56 WeakPolarHBondContact O-CB 3.42Å; A52-R56 PolarHBondContact O-N 3.26Å; I54-R56 VanDerWaalsContact C-N 3.27Å; I54-R56 PolarHBondContact O-N 2.96Å; R56-Q60 WeakPolarHBondContact O-CB 3.43Å; R56-Q60 PolarHBondContact O-N 3.42Å
57K98.7Very high97.4Very high58 Ų5849.8 Ų49.825%0.25225%0.254SS..Hα-helixtrans-68.9-42.1176-76.3179.4165.3-71.20111.6G53 I54 L55 I59 Q60 W61 F92 T99 L103G53-K57 PolarHBondContact O-N 3.16Å; I54-K57 WeakPolarHBondContact O-CB 3.42Å; I54-K57 PolarHBondContact O-N 3.31Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.43Å; K57-I59 VanDerWaalsContact C-N 3.35Å; K57-I59 PolarHBondContact O-N 3.3Å; K57-Q60 WeakPolarHBondContact O-CB 3.07Å; K57-Q60 PolarHBondContact O-N 3.23Å; K57-W61 PolarHBondContact O-N 2.85Å; K57-F92 HydrophobicContact CB-CE2 4.23Å; K57-F92 HydrophobicContact CB-CZ 3.96Å; K57-F92 WeakPolarHBondContact O-CE2 3.22Å; K57-F92 WeakPolarHBondContact O-CZ 3.35Å; K57-T99 HydrophobicContact CD-CG2 3.94Å; K57-L103 HydrophobicContact CB-CD2 3.73Å; K57-L103 HydrophobicContact CD-CD1 4.3Å; K57-L103 HydrophobicContact CD-CD2 4.48Å
58V98.7Very high97.1Very high5 Ų553.5 Ų53.53%0.0328%0.275CS..Hα-helixtrans-57.6-49.1173.8171.90000110.3I54 L55 Q60 W61 C62 L103 A106 L110 I112 L115I54-V58 HydrophobicContact CG2-CG2 4.29Å; I54-V58 WeakPolarHBondContact O-CG2 3.46Å; I54-V58 PolarHBondContact O-N 2.95Å; L55-V58 PolarHBondContact O-N 3.5Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-Q60 PolarHBondContact O-N 2.98Å; V58-W61 WeakPolarHBondContact O-CB 3.4Å; V58-W61 PolarHBondContact O-N 3.31Å; V58-C62 PolarHBondContact O-N 2.84Å; V58-C62 PolarHBondContact O-SG 2.7Å; V58-C62 VanDerWaalsContact O-SG 3.34Å; V58-L103 HydrophobicContact CG2-CD2 4.07Å; V58-A106 HydrophobicContact CG2-CB 4.09Å; V58-L110 HydrophobicContact CG1-CD1 4.11Å; V58-I112 HydrophobicContact CG1-CD1 3.41Å; V58-I112 VanDerWaalsContact CG1-CD1 3.41Å; V58-L115 HydrophobicContact CG1-CD2 4.48Å; V58-L115 HydrophobicContact CG2-CD2 4.04Å
59I98.5Very high96.5Very high24 Ų2454.9 Ų54.912%0.12328%0.283CS..Hα-helixtrans-59.5-42.7176.8-68.2162.5000110.7F14 I16 L55 K57 W61 C62 T63F14-I59 HydrophobicContact CB-CD1 3.73Å; F14-I59 HydrophobicContact CD1-CD1 3.53Å; F14-I59 HydrophobicContact CE1-CD1 4.29Å; F14-I59 HydrophobicContact CG-CD1 3.72Å; I16-I59 HydrophobicContact CD1-CG1 4.35Å; I16-I59 HydrophobicContact CG2-CD1 3.84Å; I16-I59 HydrophobicContact CG2-CG1 4.19Å; I16-I59 HydrophobicContact CG2-CG2 3.87Å; L55-I59 HydrophobicContact CD1-CD1 4.17Å; L55-I59 HydrophobicContact CD1-CG1 4.29Å; L55-I59 HydrophobicContact CG-CD1 3.88Å; L55-I59 HydrophobicContact CG-CG1 4.47Å; L55-I59 WeakPolarHBondContact O-CB 3.32Å; L55-I59 WeakPolarHBondContact O-CD1 3.45Å; L55-I59 VanDerWaalsContact O-CG1 3.26Å; L55-I59 WeakPolarHBondContact O-CG1 3.34Å; L55-I59 PolarHBondContact O-N 2.84Å; K57-I59 VanDerWaalsContact C-N 3.35Å; K57-I59 PolarHBondContact O-N 3.3Å; I59-W61 VanDerWaalsContact C-N 3.35Å; I59-W61 PolarHBondContact O-N 3.37Å; I59-C62 PolarHBondContact O-N 3.49Å; I59-T63 VanDerWaalsContact O-CB 3.3Å; I59-T63 WeakPolarHBondContact O-CB 3.36Å; I59-T63 PolarHBondContact O-N 2.82Å; I59-T63 PolarHBondContact O-OG1 3.28Å
60Q98.5Very high95.5Very high99 Ų9954.7 Ų54.746%0.46329%0.288SS..Hα-helixtrans-59.2-45.1176.6-179.4-177.52.500111.7R56 K57 V58 T63 Y64 W88 F92R56-Q60 WeakPolarHBondContact O-CB 3.43Å; R56-Q60 PolarHBondContact O-N 3.42Å; K57-Q60 WeakPolarHBondContact O-CB 3.07Å; K57-Q60 PolarHBondContact O-N 3.23Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-Q60 PolarHBondContact O-N 2.98Å; Q60-T63 PolarHBondContact O-N 3.41Å; Q60-Y64 PolarHBondContact O-N 3.03Å; Q60-Y64 VanDerWaalsContact O-N 3.14Å; Q60-W88 HydrophobicContact CG-CH2 4.46Å; Q60-W88 HydrophobicContact CG-CZ2 4.49Å; Q60-F92 HydrophobicContact CB-CE2 4.3Å; Q60-F92 HydrophobicContact CG-CE2 4.27Å
61W98.6Very high94.1Very high11 Ų1160.7 Ų60.74%0.04233%0.327CS..Hα-helixtrans-61.8-53175.9-16990.9000111.2K57 V58 I59 T63 Y64 H65 W88 D89 F92 I112 L115K57-W61 PolarHBondContact O-N 2.85Å; V58-W61 WeakPolarHBondContact O-CB 3.4Å; V58-W61 PolarHBondContact O-N 3.31Å; I59-W61 VanDerWaalsContact C-N 3.35Å; I59-W61 PolarHBondContact O-N 3.37Å; W61-T63 PolarHBondContact O-N 3.22Å; W61-Y64 PolarHBondContact O-N 3.44Å; W61-H65 AromaticContact CD1-CD2 3.82Å; W61-H65 AromaticContact CD1-NE2 3.91Å; W61-H65 AromaticContact CD2-CD2 3.52Å; W61-H65 AromaticContact CE2-CD2 3.17Å; W61-H65 AromaticContact CE2-CG 3.85Å; W61-H65 AromaticContact CE2-NE2 3.47Å; W61-H65 HydrophobicContact CE3-CB 4.35Å; W61-H65 AromaticContact CG-CD2 3.91Å; W61-H65 HydrophobicContact CH2-CB 3.9Å; W61-H65 AromaticContact CH2-CD2 3.97Å; W61-H65 AromaticContact CH2-CG 3.79Å; W61-H65 HydrophobicContact CZ2-CB 4.25Å; W61-H65 AromaticContact CZ2-CD2 3.43Å; W61-H65 VanDerWaalsContact CZ2-CD2 3.43Å; W61-H65 WeakPolarHBondContact CZ2-CD2 3.46Å; W61-H65 AromaticContact CZ2-CE1 3.96Å; W61-H65 AromaticContact CZ2-CG 3.62Å; W61-H65 AromaticContact CZ2-ND1 3.95Å; W61-H65 AromaticContact CZ2-NE2 3.71Å; W61-H65 HydrophobicContact CZ3-CB 3.97Å; W61-H65 AromaticContact NE1-CD2 3.37Å; W61-H65 PolarHBondContact NE1-CD2 2.92Å; W61-H65 AromaticContact NE1-NE2 3.25Å; W61-H65 PolarHBondContact NE1-NE2 2.91Å; W61-H65 PolarHBondContact O-CD2 3.24Å; W61-H65 VanDerWaalsContact O-CD2 3.3Å; W61-H65 PolarHBondContact O-N 2.91Å; W61-W88 AromaticContact CD1-CZ3 3.68Å; W61-W88 HydrophobicContact CG-CZ3 4.36Å; W61-D89 PolarHBondContact NE1-OD1 3.31Å; W61-F92 HydrophobicContact CB-CE1 3.98Å; W61-F92 HydrophobicContact CB-CE2 4.28Å; W61-F92 HydrophobicContact CB-CZ 3.77Å; W61-F92 AromaticContact CD1-CD1 3.67Å; W61-F92 AromaticContact CD1-CE1 3.64Å; W61-F92 HydrophobicContact CG-CE1 4.13Å; W61-F92 HydrophobicContact CG-CZ 4.42Å; W61-I112 HydrophobicContact CE3-CG2 4.08Å; W61-I112 HydrophobicContact CZ3-CG2 3.79Å; W61-L115 HydrophobicContact CB-CD1 4.4Å; W61-L115 HydrophobicContact CD2-CB 3.82Å; W61-L115 HydrophobicContact CD2-CD1 4.09Å; W61-L115 HydrophobicContact CD2-CG 4.37Å; W61-L115 HydrophobicContact CE3-CB 3.9Å; W61-L115 HydrophobicContact CG-CB 4.39Å; W61-L115 HydrophobicContact CG-CD1 3.79Å; W61-L115 HydrophobicContact CG-CD2 4.48Å; W61-L115 HydrophobicContact CG-CG 4.43Å; W61-L115 HydrophobicContact CH2-CB 4.4Å; W61-L115 HydrophobicContact CZ2-CB 4.3Å; W61-L115 HydrophobicContact CZ3-CB 4.19Å
62C98Very high92.6Very high6 Ų665.2 Ų65.24%0.04135%0.347CS..Hα-helixtrans-58.1-36.1178.8-66.40000112.3I20 Q23 V58 I59 K66I20-C62 HydrophobicContact CG2-CB 3.61Å; Q23-C62 HydrophobicContact CB-CB 4.03Å; Q23-C62 HydrophobicContact CG-CB 4.01Å; V58-C62 PolarHBondContact O-N 2.84Å; V58-C62 PolarHBondContact O-SG 2.7Å; V58-C62 VanDerWaalsContact O-SG 3.34Å; I59-C62 PolarHBondContact O-N 3.49Å; C62-K66 WeakPolarHBondContact O-CB 3.44Å; C62-K66 PolarHBondContact O-N 3.37Å
63T97.1Very high90.9Very high58 Ų5874 Ų7436%0.35639%0.388SS..Hα-helixtrans-66.3-39.1177.7-57.40000111.9I20 I59 Q60 W61 K66I20-T63 HydrophobicContact CD1-CG2 4.11Å; I59-T63 VanDerWaalsContact O-CB 3.3Å; I59-T63 WeakPolarHBondContact O-CB 3.36Å; I59-T63 PolarHBondContact O-N 2.82Å; I59-T63 PolarHBondContact O-OG1 3.28Å; Q60-T63 PolarHBondContact O-N 3.41Å; W61-T63 PolarHBondContact O-N 3.22Å; T63-K66 WeakPolarHBondContact O-CG 3.43Å
64Y97.4Very high89Confident119 Ų11979.9 Ų79.947%0.46741%0.409SS..Hα-helixtrans-71.5-41.6178.7-175.4-94.4000111.7Q60 W61 W88Q60-Y64 PolarHBondContact O-N 3.03Å; Q60-Y64 VanDerWaalsContact O-N 3.14Å; W61-Y64 PolarHBondContact O-N 3.44Å; Y64-W88 AromaticContact CD1-CD2 3.44Å; Y64-W88 HydrophobicContact CD1-CD2 3.44Å; Y64-W88 VanDerWaalsContact CD1-CD2 3.44Å; Y64-W88 AromaticContact CD1-CE2 3.83Å; Y64-W88 AromaticContact CD1-CE3 3.44Å; Y64-W88 HydrophobicContact CD1-CE3 3.44Å; Y64-W88 VanDerWaalsContact CD1-CE3 3.44Å; Y64-W88 AromaticContact CD1-CG 3.94Å; Y64-W88 HydrophobicContact CD1-CG 3.94Å; Y64-W88 HydrophobicContact CD1-CH2 4.22Å; Y64-W88 HydrophobicContact CD1-CZ2 4.22Å; Y64-W88 AromaticContact CD1-CZ3 3.83Å; Y64-W88 HydrophobicContact CD1-CZ3 3.83Å; Y64-W88 AromaticContact CD2-CD1 3.88Å; Y64-W88 AromaticContact CD2-CD2 3.87Å; Y64-W88 HydrophobicContact CD2-CD2 3.87Å; Y64-W88 AromaticContact CD2-CE2 3.43Å; Y64-W88 VanDerWaalsContact CD2-CE2 3.43Å; Y64-W88 HydrophobicContact CD2-CG 4.15Å; Y64-W88 HydrophobicContact CD2-CH2 4.5Å; Y64-W88 AromaticContact CD2-CZ2 3.8Å; Y64-W88 HydrophobicContact CD2-CZ2 3.8Å; Y64-W88 AromaticContact CD2-NE1 3.42Å; Y64-W88 HydrophobicContact CE1-CB 3.71Å; Y64-W88 AromaticContact CE1-CD1 3.99Å; Y64-W88 AromaticContact CE1-CD2 3.49Å; Y64-W88 HydrophobicContact CE1-CD2 3.49Å; Y64-W88 VanDerWaalsContact CE1-CD2 3.49Å; Y64-W88 AromaticContact CE1-CE3 3.78Å; Y64-W88 HydrophobicContact CE1-CE3 3.78Å; Y64-W88 AromaticContact CE1-CG 3.44Å; Y64-W88 HydrophobicContact CE1-CG 3.44Å; Y64-W88 VanDerWaalsContact CE1-CG 3.44Å; Y64-W88 HydrophobicContact CE2-CB 4.48Å; Y64-W88 AromaticContact CE2-CD1 3.32Å; Y64-W88 AromaticContact CE2-CD2 3.91Å; Y64-W88 HydrophobicContact CE2-CD2 3.91Å; Y64-W88 AromaticContact CE2-CE2 3.75Å; Y64-W88 AromaticContact CE2-CG 3.68Å; Y64-W88 HydrophobicContact CE2-CG 3.68Å; Y64-W88 AromaticContact CE2-NE1 3.35Å; Y64-W88 VanDerWaalsContact CE2-NE1 3.35Å; Y64-W88 AromaticContact CG-CD2 3.64Å; Y64-W88 HydrophobicContact CG-CD2 3.64Å; Y64-W88 AromaticContact CG-CE2 3.47Å; Y64-W88 VanDerWaalsContact CG-CE2 3.47Å; Y64-W88 AromaticContact CG-CE3 3.86Å; Y64-W88 HydrophobicContact CG-CE3 3.86Å; Y64-W88 HydrophobicContact CG-CG 4.26Å; Y64-W88 AromaticContact CG-CH2 3.85Å; Y64-W88 HydrophobicContact CG-CH2 3.85Å; Y64-W88 AromaticContact CG-CZ2 3.6Å; Y64-W88 HydrophobicContact CG-CZ2 3.6Å; Y64-W88 AromaticContact CG-CZ3 3.95Å; Y64-W88 HydrophobicContact CG-CZ3 3.95Å; Y64-W88 AromaticContact CG-NE1 3.96Å; Y64-W88 AromaticContact CZ-CD1 3.38Å; Y64-W88 AromaticContact CZ-CD2 3.72Å; Y64-W88 AromaticContact CZ-CG 3.28Å; Y64-W88 AromaticContact CZ-NE1 3.84Å
65H96Very high87.2Confident12 Ų1281.9 Ų81.96%0.05642%0.42CS..Hα-helixtrans-90.22.6-175.3-70.3-84.6000114.8Q23 W61 D67 D68 W88 D89Q23-H65 PolarHBondContact NE2-O 3.02Å; W61-H65 AromaticContact CD1-CD2 3.82Å; W61-H65 AromaticContact CD1-NE2 3.91Å; W61-H65 AromaticContact CD2-CD2 3.52Å; W61-H65 AromaticContact CE2-CD2 3.17Å; W61-H65 AromaticContact CE2-CG 3.85Å; W61-H65 AromaticContact CE2-NE2 3.47Å; W61-H65 HydrophobicContact CE3-CB 4.35Å; W61-H65 AromaticContact CG-CD2 3.91Å; W61-H65 HydrophobicContact CH2-CB 3.9Å; W61-H65 AromaticContact CH2-CD2 3.97Å; W61-H65 AromaticContact CH2-CG 3.79Å; W61-H65 HydrophobicContact CZ2-CB 4.25Å; W61-H65 AromaticContact CZ2-CD2 3.43Å; W61-H65 VanDerWaalsContact CZ2-CD2 3.43Å; W61-H65 WeakPolarHBondContact CZ2-CD2 3.46Å; W61-H65 AromaticContact CZ2-CE1 3.96Å; W61-H65 AromaticContact CZ2-CG 3.62Å; W61-H65 AromaticContact CZ2-ND1 3.95Å; W61-H65 AromaticContact CZ2-NE2 3.71Å; W61-H65 HydrophobicContact CZ3-CB 3.97Å; W61-H65 AromaticContact NE1-CD2 3.37Å; W61-H65 PolarHBondContact NE1-CD2 2.92Å; W61-H65 AromaticContact NE1-NE2 3.25Å; W61-H65 PolarHBondContact NE1-NE2 2.91Å; W61-H65 PolarHBondContact O-CD2 3.24Å; W61-H65 VanDerWaalsContact O-CD2 3.3Å; W61-H65 PolarHBondContact O-N 2.91Å; H65-D67 PolarHBondContact O-N 3.15Å; H65-D68 IonicContact CE1-OD2 3.31Å; H65-D68 IonicContact CG-OD2 2.99Å; H65-D68 IonicContact ND1-OD2 3.57Å; H65-D68 PolarHBondContact ND1-OD2 3.37Å; H65-D68 WeakPolarHBondContact O-CB 3.45Å; H65-D68 PolarHBondContact O-N 2.76Å; H65-D68 VanDerWaalsContact O-N 3.16Å; H65-W88 AromaticContact CD2-CZ3 3.98Å; H65-W88 AromaticContact NE2-CE3 3.58Å; H65-W88 AromaticContact NE2-CZ3 3.64Å; H65-D89 IonicContact CE1-OD1 3.35Å; H65-D89 IonicContact CE1-OD2 2.69Å; H65-D89 PolarHBondContact CE1-OD2 2.81Å; H65-D89 VanDerWaalsContact CE1-OD2 3.31Å; H65-D89 IonicContact NE2-OD1 2.71Å; H65-D89 PolarHBondContact NE2-OD1 3.09Å; H65-D89 IonicContact NE2-OD2 3Å
66K92.2Very high85.5Confident91 Ų9188 Ų8840%0.39645%0.448SS..THydrogen-bonded Turntrans-61.2-26.2-175.271.2-179.5-173159.10114.3I20 C62 T63I20-K66 HydrophobicContact CG1-CD 4.07Å; C62-K66 WeakPolarHBondContact O-CB 3.44Å; C62-K66 PolarHBondContact O-N 3.37Å; T63-K66 WeakPolarHBondContact O-CG 3.43Å
67D92.1Very high83.9Confident134 Ų13486.9 Ų86.972%0.71745%0.451SS*.THydrogen-bonded Turntrans-104.18-177.1-60.8-50.2000112H65H65-D67 PolarHBondContact O-N 3.15Å
68D91.1Very high82.3Confident87 Ų8788.7 Ų88.747%0.46546%0.46SS..SBendtrans-66.9147.9178.2-80.74.8000111.3H65H65-D68 IonicContact CE1-OD2 3.31Å; H65-D68 IonicContact CG-OD2 2.99Å; H65-D68 IonicContact ND1-OD2 3.57Å; H65-D68 PolarHBondContact ND1-OD2 3.37Å; H65-D68 WeakPolarHBondContact O-CB 3.45Å; H65-D68 PolarHBondContact O-N 2.76Å; H65-D68 VanDerWaalsContact O-N 3.16Å
69P84.5Confident80.8Confident109 Ų10995.3 Ų95.371%0.70849%0.49SS*.PPolyproline II helixtrans-61.7146.917327.3-33.6000110.2
70P74.6Confident79.6Confident110 Ų110103.6 Ų103.671%0.71452%0.52SS*.PPolyproline II helixtrans-56.9145.4177.122.7-32.2000110.7Q72P70-Q72 PolarHBondContact O-N 2.9Å
71P68.1Low78.7Confident127 Ų127105.1 Ų105.183%0.82552%0.521SS*.PPolyproline II helixtrans-53.4132.2175.6-22.331.5000110.3E73P71-E73 PolarHBondContact O-N 3.34Å
72Q67.2Low77.9Confident142 Ų142105.9 Ų105.966%0.66453%0.527SS*.  trans-76.3113.2171.9-69.7-177.7-35.800107.9P70 D74 D75P70-Q72 PolarHBondContact O-N 2.9Å; Q72-D74 PolarHBondContact O-N 2.96Å; Q72-D74 VanDerWaalsContact O-N 3.14Å; Q72-D75 PolarHBondContact O-N 3.41Å
73E63.4Low77.3Confident188 Ų188111.1 Ų111.188%0.87956%0.555SS**THydrogen-bonded Turntrans-56.7-28.6-177.6-66.2-173.3162.800113P71 D75P71-E73 PolarHBondContact O-N 3.34Å; E73-D75 VanDerWaalsContact C-N 3.28Å; E73-D75 PolarHBondContact O-N 3.11Å
74D59.1Low76.8Confident164 Ų164110.9 Ų110.988%0.87755%0.552SS**THydrogen-bonded Turntrans-82.65.9-173.2-68.6-31.8000114.9Q72Q72-D74 PolarHBondContact O-N 2.96Å; Q72-D74 VanDerWaalsContact O-N 3.14Å
75D60.3Low76.6Confident49 Ų49105.8 Ų105.826%0.26253%0.532SS..  trans-107.246.7-173.3-127.5-26.6000113Q72 E73 N77 K78 E79Q72-D75 PolarHBondContact O-N 3.41Å; E73-D75 VanDerWaalsContact C-N 3.28Å; E73-D75 PolarHBondContact O-N 3.11Å; D75-N77 PolarHBondContact O-N 3.5Å; D75-K78 HydrophobicContact CB-CB 4.21Å; D75-K78 HydrophobicContact CB-CD 3.93Å; D75-K78 HydrophobicContact CB-CG 4.11Å; D75-K78 VanDerWaalsContact CG-CD 3.49Å; D75-K78 WeakPolarHBondContact O-CB 3.45Å; D75-K78 PolarHBondContact O-N 2.83Å; D75-K78 WeakPolarHBondContact OD2-CD 3.21Å; D75-K78 WeakPolarHBondContact OD2-CE 3.37Å; D75-K78 IonicContact OD2-NZ 3.09Å; D75-K78 PolarHBondContact OD2-NZ 3.14Å; D75-E79 PolarHBondContact O-N 2.9Å
76E63.3Low76.5Confident131 Ų131108.5 Ų108.561%0.61255%0.551SS**Hα-helixtrans-46.7-27.6170.2-69.1-170.4159.700112.3R80E76-R80 PolarHBondContact O-N 3.32Å
77N64Low76.6Confident100 Ų100108.9 Ų108.954%0.53557%0.565SS.*Hα-helixtrans-73.7-28.3179.5-142.68.5000113.1D75 R81D75-N77 PolarHBondContact O-N 3.5Å; N77-R81 WeakPolarHBondContact O-CG 3.38Å
78K65.6Low76.9Confident97 Ų97105.7 Ų105.742%0.42254%0.543SS..Hα-helixtrans-72.4-38.2172.1-78.7-179.1-178.21470111.8D75 R80 R81 K121D75-K78 HydrophobicContact CB-CB 4.21Å; D75-K78 HydrophobicContact CB-CD 3.93Å; D75-K78 HydrophobicContact CB-CG 4.11Å; D75-K78 VanDerWaalsContact CG-CD 3.49Å; D75-K78 WeakPolarHBondContact O-CB 3.45Å; D75-K78 PolarHBondContact O-N 2.83Å; D75-K78 WeakPolarHBondContact OD2-CD 3.21Å; D75-K78 WeakPolarHBondContact OD2-CE 3.37Å; D75-K78 IonicContact OD2-NZ 3.09Å; D75-K78 PolarHBondContact OD2-NZ 3.14Å; K78-R80 PolarHBondContact O-N 3.38Å; K78-R81 PolarHBondContact O-N 3.01Å; K78-R81 VanDerWaalsContact O-N 3.15Å; K78-K121 PolarHBondContact O-NZ 2.95Å
79E66.7Low77.2Confident144 Ų144101.6 Ų101.667%0.67352%0.521SS*.Hα-helixtrans-61.7-33177.5-65.3-174.3162.800112D75D75-E79 PolarHBondContact O-N 2.9Å
80R72.8Confident77.8Confident198 Ų198101.5 Ų101.575%0.74751%0.511SS*.THydrogen-bonded Turntrans-80.7-15.9178.4-65.7-175-172.8177.67114.3E76 K78E76-R80 PolarHBondContact O-N 3.32Å; K78-R80 PolarHBondContact O-N 3.38Å
81R79.9Confident78.9Confident130 Ų130102 Ų10249%0.49150%0.504SS..  trans-81.9145.2178.7-77.4179.5-169.8-156.13.4109.9N77 K78 D83 K121N77-R81 WeakPolarHBondContact O-CG 3.38Å; K78-R81 PolarHBondContact O-N 3.01Å; K78-R81 VanDerWaalsContact O-N 3.15Å; R81-D83 WeakPolarHBondContact CB-OD1 3.33Å; R81-K121 WeakPolarHBondContact O-CD 3.4Å; R81-K121 WeakPolarHBondContact O-CE 3.3Å
82T83.3Confident80.3Confident27 Ų2796.7 Ų96.717%0.16647%0.468CS..SBendtrans-112.6-11.1178.644.80000111.4A124 N125T82-A124 HydrophobicContact CG2-CB 3.66Å; T82-N125 VanDerWaalsContact CB-OD1 3.3Å; T82-N125 WeakPolarHBondContact CB-OD1 3.35Å; T82-N125 PolarHBondContact O-ND2 3.27Å; T82-N125 PolarHBondContact OG1-OD1 2.86Å
83D83.7Confident81.8Confident116 Ų11690.1 Ų90.162%0.6244%0.437SS*.SBendtrans-92.8-0.5-176.657.5-35.7000113.7R81R81-D83 WeakPolarHBondContact CB-OD1 3.33Å
84D88Confident83.4Confident54 Ų5490.3 Ų90.329%0.28943%0.43SS..  trans-103.319.3-176.169.8-27.5000114.2P86 K121D84-P86 WeakPolarHBondContact O-CD 3.31Å; D84-K121 VanDerWaalsContact CG-NZ 3.31Å; D84-K121 IonicContact OD1-NZ 3.57Å; D84-K121 PolarHBondContact OD1-NZ 2.79Å; D84-K121 IonicContact OD2-NZ 3.58Å; D84-K121 PolarHBondContact OD2-NZ 2.73Å; D84-K121 VanDerWaalsContact OD2-NZ 3.12Å
85I92.7Very high85.2Confident12 Ų1284.2 Ų84.26%0.06240%0.399CS..  trans-67.8124.1176.2-52.3174.5000109.2D89 Q90 V118 K121I85-D89 HydrophobicContact CG2-CB 3.67Å; I85-Q90 HydrophobicContact CB-CG 3.94Å; I85-Q90 HydrophobicContact CG2-CG 3.69Å; I85-Q90 PolarHBondContact O-NE2 2.99Å; I85-V118 HydrophobicContact CG2-CB 4.37Å; I85-V118 HydrophobicContact CG2-CG1 4.25Å; I85-K121 HydrophobicContact CD1-CB 3.63Å; I85-K121 HydrophobicContact CG1-CB 3.75Å; I85-K121 HydrophobicContact CG1-CD 4.13Å
86P93.3Very high86.9Confident68 Ų6886.6 Ų86.644%0.44241%0.411SS..  trans-56.5145.8176.5-2534.5000112.4D84 W88 D89 Q90D84-P86 WeakPolarHBondContact O-CD 3.31Å; P86-W88 PolarHBondContact O-N 2.98Å; P86-W88 VanDerWaalsContact O-N 3.15Å; P86-D89 HydrophobicContact CB-CB 4.49Å; P86-D89 WeakPolarHBondContact CB-OD2 3.38Å; P86-D89 WeakPolarHBondContact CD-OD2 3.42Å; P86-D89 VanDerWaalsContact CG-OD2 3.22Å; P86-D89 WeakPolarHBondContact CG-OD2 3.37Å; P86-D89 WeakPolarHBondContact O-CB 3.5Å; P86-D89 PolarHBondContact O-N 3.25Å; P86-Q90 PolarHBondContact O-N 3.12Å
87S95.6Very high88.3Confident99 Ų9983.5 Ų83.569%0.69240%0.397SS*.Hα-helixtrans-60.2-30.6-175.5-54.90000113.6E91S87-E91 PolarHBondContact O-N 3.09Å
88W97.6Very high89.9Confident67 Ų6780.6 Ų80.625%0.25439%0.391SS..Hα-helixtrans-67-44.7175.2-171.491.9000111.5Q60 W61 Y64 H65 P86 Q90 E91 F92Q60-W88 HydrophobicContact CG-CH2 4.46Å; Q60-W88 HydrophobicContact CG-CZ2 4.49Å; W61-W88 AromaticContact CD1-CZ3 3.68Å; W61-W88 HydrophobicContact CG-CZ3 4.36Å; Y64-W88 AromaticContact CD1-CD2 3.44Å; Y64-W88 HydrophobicContact CD1-CD2 3.44Å; Y64-W88 VanDerWaalsContact CD1-CD2 3.44Å; Y64-W88 AromaticContact CD1-CE2 3.83Å; Y64-W88 AromaticContact CD1-CE3 3.44Å; Y64-W88 HydrophobicContact CD1-CE3 3.44Å; Y64-W88 VanDerWaalsContact CD1-CE3 3.44Å; Y64-W88 AromaticContact CD1-CG 3.94Å; Y64-W88 HydrophobicContact CD1-CG 3.94Å; Y64-W88 HydrophobicContact CD1-CH2 4.22Å; Y64-W88 HydrophobicContact CD1-CZ2 4.22Å; Y64-W88 AromaticContact CD1-CZ3 3.83Å; Y64-W88 HydrophobicContact CD1-CZ3 3.83Å; Y64-W88 AromaticContact CD2-CD1 3.88Å; Y64-W88 AromaticContact CD2-CD2 3.87Å; Y64-W88 HydrophobicContact CD2-CD2 3.87Å; Y64-W88 AromaticContact CD2-CE2 3.43Å; Y64-W88 VanDerWaalsContact CD2-CE2 3.43Å; Y64-W88 HydrophobicContact CD2-CG 4.15Å; Y64-W88 HydrophobicContact CD2-CH2 4.5Å; Y64-W88 AromaticContact CD2-CZ2 3.8Å; Y64-W88 HydrophobicContact CD2-CZ2 3.8Å; Y64-W88 AromaticContact CD2-NE1 3.42Å; Y64-W88 HydrophobicContact CE1-CB 3.71Å; Y64-W88 AromaticContact CE1-CD1 3.99Å; Y64-W88 AromaticContact CE1-CD2 3.49Å; Y64-W88 HydrophobicContact CE1-CD2 3.49Å; Y64-W88 VanDerWaalsContact CE1-CD2 3.49Å; Y64-W88 AromaticContact CE1-CE3 3.78Å; Y64-W88 HydrophobicContact CE1-CE3 3.78Å; Y64-W88 AromaticContact CE1-CG 3.44Å; Y64-W88 HydrophobicContact CE1-CG 3.44Å; Y64-W88 VanDerWaalsContact CE1-CG 3.44Å; Y64-W88 HydrophobicContact CE2-CB 4.48Å; Y64-W88 AromaticContact CE2-CD1 3.32Å; Y64-W88 AromaticContact CE2-CD2 3.91Å; Y64-W88 HydrophobicContact CE2-CD2 3.91Å; Y64-W88 AromaticContact CE2-CE2 3.75Å; Y64-W88 AromaticContact CE2-CG 3.68Å; Y64-W88 HydrophobicContact CE2-CG 3.68Å; Y64-W88 AromaticContact CE2-NE1 3.35Å; Y64-W88 VanDerWaalsContact CE2-NE1 3.35Å; Y64-W88 AromaticContact CG-CD2 3.64Å; Y64-W88 HydrophobicContact CG-CD2 3.64Å; Y64-W88 AromaticContact CG-CE2 3.47Å; Y64-W88 VanDerWaalsContact CG-CE2 3.47Å; Y64-W88 AromaticContact CG-CE3 3.86Å; Y64-W88 HydrophobicContact CG-CE3 3.86Å; Y64-W88 HydrophobicContact CG-CG 4.26Å; Y64-W88 AromaticContact CG-CH2 3.85Å; Y64-W88 HydrophobicContact CG-CH2 3.85Å; Y64-W88 AromaticContact CG-CZ2 3.6Å; Y64-W88 HydrophobicContact CG-CZ2 3.6Å; Y64-W88 AromaticContact CG-CZ3 3.95Å; Y64-W88 HydrophobicContact CG-CZ3 3.95Å; Y64-W88 AromaticContact CG-NE1 3.96Å; Y64-W88 AromaticContact CZ-CD1 3.38Å; Y64-W88 AromaticContact CZ-CD2 3.72Å; Y64-W88 AromaticContact CZ-CG 3.28Å; Y64-W88 AromaticContact CZ-NE1 3.84Å; H65-W88 AromaticContact CD2-CZ3 3.98Å; H65-W88 AromaticContact NE2-CE3 3.58Å; H65-W88 AromaticContact NE2-CZ3 3.64Å; P86-W88 PolarHBondContact O-N 2.98Å; P86-W88 VanDerWaalsContact O-N 3.15Å; W88-Q90 VanDerWaalsContact C-N 3.33Å; W88-Q90 PolarHBondContact O-N 2.74Å; W88-E91 PolarHBondContact O-N 3.15Å; W88-F92 HydrophobicContact CE3-CB 4.03Å; W88-F92 HydrophobicContact CH2-CB 4.11Å; W88-F92 AromaticContact CH2-CD2 3.69Å; W88-F92 HydrophobicContact CH2-CD2 3.69Å; W88-F92 HydrophobicContact CH2-CE2 4.36Å; W88-F92 AromaticContact CH2-CG 3.95Å; W88-F92 HydrophobicContact CH2-CG 3.95Å; W88-F92 HydrophobicContact CZ2-CD2 4.37Å; W88-F92 HydrophobicContact CZ3-CB 3.82Å; W88-F92 HydrophobicContact CZ3-CD1 4.43Å; W88-F92 HydrophobicContact CZ3-CD2 4.09Å; W88-F92 AromaticContact CZ3-CG 3.85Å; W88-F92 HydrophobicContact CZ3-CG 3.85Å; W88-F92 WeakPolarHBondContact O-CB 3.34Å; W88-F92 PolarHBondContact O-N 3.28Å
89D97.5Very high91.4Very high2 Ų277.3 Ų77.31%0.01138%0.379CS..Hα-helixtrans-62.4-39.1176.3-69.2-55.5000112.4W61 H65 I85 P86 E91 F92 L93 V118W61-D89 PolarHBondContact NE1-OD1 3.31Å; H65-D89 IonicContact CE1-OD1 3.35Å; H65-D89 IonicContact CE1-OD2 2.69Å; H65-D89 PolarHBondContact CE1-OD2 2.81Å; H65-D89 VanDerWaalsContact CE1-OD2 3.31Å; H65-D89 IonicContact NE2-OD1 2.71Å; H65-D89 PolarHBondContact NE2-OD1 3.09Å; H65-D89 IonicContact NE2-OD2 3Å; I85-D89 HydrophobicContact CG2-CB 3.67Å; P86-D89 HydrophobicContact CB-CB 4.49Å; P86-D89 WeakPolarHBondContact CB-OD2 3.38Å; P86-D89 WeakPolarHBondContact CD-OD2 3.42Å; P86-D89 VanDerWaalsContact CG-OD2 3.22Å; P86-D89 WeakPolarHBondContact CG-OD2 3.37Å; P86-D89 WeakPolarHBondContact O-CB 3.5Å; P86-D89 PolarHBondContact O-N 3.25Å; D89-E91 VanDerWaalsContact C-N 3.32Å; D89-E91 PolarHBondContact O-N 3.48Å; D89-F92 PolarHBondContact O-N 3.49Å; D89-L93 VanDerWaalsContact O-CB 3.3Å; D89-L93 WeakPolarHBondContact O-CB 3.35Å; D89-L93 VanDerWaalsContact O-CG 3.31Å; D89-L93 WeakPolarHBondContact O-CG 3Å; D89-L93 PolarHBondContact O-N 2.82Å; D89-V118 HydrophobicContact CB-CB 4.31Å; D89-V118 HydrophobicContact CB-CG1 4.16Å; D89-V118 HydrophobicContact CB-CG2 4.48Å
90Q96.5Very high92.9Very high107 Ų10770.5 Ų70.550%0.535%0.347SS..Hα-helixtrans-59.2-43.1175.5-66.6-178.435.100112I85 P86 W88 R94I85-Q90 HydrophobicContact CB-CG 3.94Å; I85-Q90 HydrophobicContact CG2-CG 3.69Å; I85-Q90 PolarHBondContact O-NE2 2.99Å; P86-Q90 PolarHBondContact O-N 3.12Å; W88-Q90 VanDerWaalsContact C-N 3.33Å; W88-Q90 PolarHBondContact O-N 2.74Å; Q90-R94 PolarHBondContact O-N 2.91Å
91E97.8Very high94.1Very high120 Ų12064.4 Ų64.456%0.56133%0.326SS*.Hα-helixtrans-74.8-37.8177.7-173.760.7-159.800111.5S87 W88 D89 L93 R94S87-E91 PolarHBondContact O-N 3.09Å; W88-E91 PolarHBondContact O-N 3.15Å; D89-E91 VanDerWaalsContact C-N 3.32Å; D89-E91 PolarHBondContact O-N 3.48Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 2.65Å; E91-R94 WeakPolarHBondContact O-CB 3.25Å; E91-R94 PolarHBondContact O-N 3.3Å; E91-R94 VanDerWaalsContact O-N 3.16Å; E91-R94 IonicContact OE2-NH1 3.44Å; E91-R94 PolarHBondContact OE2-NH1 3.31Å
92F98.4Very high95Very high16 Ų1662.5 Ų62.57%0.0732%0.323CS..Hα-helixtrans-60.8-40.8175.6173.5-98.4000112.2K57 Q60 W61 W88 D89 R94 L103 L115K57-F92 HydrophobicContact CB-CE2 4.23Å; K57-F92 HydrophobicContact CB-CZ 3.96Å; K57-F92 WeakPolarHBondContact O-CE2 3.22Å; K57-F92 WeakPolarHBondContact O-CZ 3.35Å; Q60-F92 HydrophobicContact CB-CE2 4.3Å; Q60-F92 HydrophobicContact CG-CE2 4.27Å; W61-F92 HydrophobicContact CB-CE1 3.98Å; W61-F92 HydrophobicContact CB-CE2 4.28Å; W61-F92 HydrophobicContact CB-CZ 3.77Å; W61-F92 AromaticContact CD1-CD1 3.67Å; W61-F92 AromaticContact CD1-CE1 3.64Å; W61-F92 HydrophobicContact CG-CE1 4.13Å; W61-F92 HydrophobicContact CG-CZ 4.42Å; W88-F92 HydrophobicContact CE3-CB 4.03Å; W88-F92 HydrophobicContact CH2-CB 4.11Å; W88-F92 AromaticContact CH2-CD2 3.69Å; W88-F92 HydrophobicContact CH2-CD2 3.69Å; W88-F92 HydrophobicContact CH2-CE2 4.36Å; W88-F92 AromaticContact CH2-CG 3.95Å; W88-F92 HydrophobicContact CH2-CG 3.95Å; W88-F92 HydrophobicContact CZ2-CD2 4.37Å; W88-F92 HydrophobicContact CZ3-CB 3.82Å; W88-F92 HydrophobicContact CZ3-CD1 4.43Å; W88-F92 HydrophobicContact CZ3-CD2 4.09Å; W88-F92 AromaticContact CZ3-CG 3.85Å; W88-F92 HydrophobicContact CZ3-CG 3.85Å; W88-F92 WeakPolarHBondContact O-CB 3.34Å; W88-F92 PolarHBondContact O-N 3.28Å; D89-F92 PolarHBondContact O-N 3.49Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 3.05Å; F92-L103 HydrophobicContact CE1-CD1 4.27Å; F92-L103 HydrophobicContact CZ-CD2 4.48Å; F92-L115 HydrophobicContact CE1-CD1 3.94Å
93L98Very high95.7Very high4 Ų461.2 Ų61.22%0.02132%0.315CS..THydrogen-bonded Turntrans-85.77.6178.3-63178000113.6D89 E91 V95 L100 L103 L115 V118 T122D89-L93 VanDerWaalsContact O-CB 3.3Å; D89-L93 WeakPolarHBondContact O-CB 3.35Å; D89-L93 VanDerWaalsContact O-CG 3.31Å; D89-L93 WeakPolarHBondContact O-CG 3Å; D89-L93 PolarHBondContact O-N 2.82Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 2.65Å; L93-V95 PolarHBondContact O-N 3.35Å; L93-L100 HydrophobicContact CB-CD1 4.44Å; L93-L100 HydrophobicContact CD2-CD1 3.93Å; L93-L103 HydrophobicContact CD2-CD1 4.14Å; L93-L115 HydrophobicContact CD2-CD1 4.49Å; L93-V118 HydrophobicContact CD1-CB 3.88Å; L93-V118 HydrophobicContact CD1-CG2 3.81Å; L93-V118 WeakPolarHBondContact CD1-O 2.99Å; L93-T122 HydrophobicContact CB-CG2 4.4Å; L93-T122 WeakPolarHBondContact CD1-OG1 3.5Å
94R96.6Very high96.4Very high191 Ų19157.8 Ų57.872%0.72130%0.296SS*.  trans-7764.3172.3-163.8-179.4179171.70.1111.1Q90 E91 F92Q90-R94 PolarHBondContact O-N 2.91Å; E91-R94 WeakPolarHBondContact O-CB 3.25Å; E91-R94 PolarHBondContact O-N 3.3Å; E91-R94 VanDerWaalsContact O-N 3.16Å; E91-R94 IonicContact OE2-NH1 3.44Å; E91-R94 PolarHBondContact OE2-NH1 3.31Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 3.05Å
95V97.1Very high96.9Very high37 Ų3760.8 Ų60.822%0.22431%0.311CS..SBendtrans-122.6172.5-178.7-63.50000110.2L93 T99 L100 L103L93-V95 PolarHBondContact O-N 3.35Å; V95-T99 HydrophobicContact CB-CG2 3.87Å; V95-T99 HydrophobicContact CG1-CG2 4.1Å; V95-T99 HydrophobicContact CG2-CG2 3.84Å; V95-L100 HydrophobicContact CG2-CB 4.04Å; V95-L103 HydrophobicContact CG2-CD1 4.47Å
96D96.1Very high97.2Very high99 Ų9960.3 Ų60.353%0.52931%0.309SS..  trans-67.4159.8170.567.993.9000111.4G98 T99 L100D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.42Å; D96-G98 WeakPolarHBondContact OD1-CA 3.43Å; D96-G98 PolarHBondContact OD1-N 2.71Å; D96-T99 PolarHBondContact O-N 2.88Å; D96-T99 PolarHBondContact OD1-N 3.35Å; D96-T99 PolarHBondContact OD1-OG1 3.07Å; D96-T99 WeakPolarHBondContact OD2-CB 2.88Å; D96-T99 PolarHBondContact OD2-OG1 3.45Å; D96-L100 PolarHBondContact O-N 3.27Å
97Q94.1Very high97.4Very high66 Ų6657.1 Ų57.131%0.30829%0.288SS..Hα-helixtrans-60-34.6-176.9-68.6176.6-200113L100 F101 T138Q97-L100 PolarHBondContact O-N 3.4Å; Q97-F101 HydrophobicContact CB-CD2 4.43Å; Q97-F101 HydrophobicContact CB-CE2 4.26Å; Q97-F101 WeakPolarHBondContact O-CD2 3.49Å; Q97-F101 WeakPolarHBondContact O-CG 3.15Å; Q97-F101 PolarHBondContact O-N 3Å; Q97-T138 PolarHBondContact NE2-O 3.24Å; Q97-T138 PolarHBondContact OE1-O 3.01Å
98G96Very high97.6Very high39 Ų3957.5 Ų57.540%0.40228%0.282SS..Hα-helixtrans-62-52.517800000110.4D96 L100 F101 E102D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.42Å; D96-G98 WeakPolarHBondContact OD1-CA 3.43Å; D96-G98 PolarHBondContact OD1-N 2.71Å; G98-L100 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 3.31Å; G98-F101 PolarHBondContact O-N 3.48Å; G98-E102 WeakPolarHBondContact O-CG 3.39Å; G98-E102 PolarHBondContact O-N 2.95Å
99T97.9Very high97.6Very high28 Ų2857.9 Ų57.917%0.17228%0.284CS..Hα-helixtrans-58.8-40.8174.8-57.90000112.2I54 K57 V95 D96 E102 L103I54-T99 HydrophobicContact CD1-CG2 3.98Å; K57-T99 HydrophobicContact CD-CG2 3.94Å; V95-T99 HydrophobicContact CB-CG2 3.87Å; V95-T99 HydrophobicContact CG1-CG2 4.1Å; V95-T99 HydrophobicContact CG2-CG2 3.84Å; D96-T99 PolarHBondContact O-N 2.88Å; D96-T99 PolarHBondContact OD1-N 3.35Å; D96-T99 PolarHBondContact OD1-OG1 3.07Å; D96-T99 WeakPolarHBondContact OD2-CB 2.88Å; D96-T99 PolarHBondContact OD2-OG1 3.45Å; T99-E102 PolarHBondContact O-N 2.88Å; T99-L103 HydrophobicContact CG2-CD1 4.26Å; T99-L103 WeakPolarHBondContact O-CB 3.29Å; T99-L103 WeakPolarHBondContact O-CG 3.41Å; T99-L103 PolarHBondContact O-N 3.48Å
100L98Very high97.6Very high1 Ų158 Ų581%0.00529%0.285CS..Hα-helixtrans-62.5-44.1177.7-179.961.2000111.9L93 V95 D96 Q97 G98 L103 M104 C119 T122 V123 M126L93-L100 HydrophobicContact CB-CD1 4.44Å; L93-L100 HydrophobicContact CD2-CD1 3.93Å; V95-L100 HydrophobicContact CG2-CB 4.04Å; D96-L100 PolarHBondContact O-N 3.27Å; Q97-L100 PolarHBondContact O-N 3.4Å; G98-L100 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 3.31Å; L100-L103 PolarHBondContact O-N 2.87Å; L100-M104 WeakPolarHBondContact O-CB 3.17Å; L100-M104 PolarHBondContact O-N 3.4Å; L100-C119 HydrophobicContact CD1-CB 4.35Å; L100-T122 HydrophobicContact CD2-CG2 4.08Å; L100-V123 HydrophobicContact CD2-CG2 3.73Å; L100-V123 HydrophobicContact CG-CG2 4.24Å; L100-M126 HydrophobicContact CD2-CE 3.73Å; L100-M126 HydrophobicContact CD2-SD 4.37Å
101F97.7Very high97.7Very high70 Ų7055.3 Ų55.331%0.30727%0.274SS..Hα-helixtrans-69.5-38.1177.7-71.9-49.8000112.4Q97 G98 L103 M104 L105 V123 F139Q97-F101 HydrophobicContact CB-CD2 4.43Å; Q97-F101 HydrophobicContact CB-CE2 4.26Å; Q97-F101 WeakPolarHBondContact O-CD2 3.49Å; Q97-F101 WeakPolarHBondContact O-CG 3.15Å; Q97-F101 PolarHBondContact O-N 3Å; G98-F101 PolarHBondContact O-N 3.48Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-M104 HydrophobicContact CD1-CE 3.73Å; F101-M104 HydrophobicContact CE1-CE 4.21Å; F101-M104 PolarHBondContact O-N 2.83Å; F101-L105 WeakPolarHBondContact O-CB 3.43Å; F101-L105 VanDerWaalsContact O-CG 3.32Å; F101-L105 WeakPolarHBondContact O-CG 3.32Å; F101-L105 PolarHBondContact O-N 3.37Å; F101-V123 HydrophobicContact CE1-CG2 4.12Å; F101-F139 HydrophobicContact CE2-CD1 4.15Å; F101-F139 HydrophobicContact CE2-CE1 4.38Å; F101-F139 AromaticContact CZ-CD1 3.8Å; F101-F139 HydrophobicContact CZ-CD1 3.8Å; F101-F139 AromaticContact CZ-CE1 3.75Å; F101-F139 HydrophobicContact CZ-CE1 3.75Å
102E98.4Very high97.7Very high90 Ų9049.8 Ų49.842%0.42125%0.248SC..Hα-helixtrans-64-40173.7-71.4-168.615600111.8N51 I54 G98 T99 L105 A106N51-E102 PolarHBondContact ND2-OE2 2.66Å; I54-E102 HydrophobicContact CD1-CB 3.49Å; I54-E102 VanDerWaalsContact CD1-CB 3.49Å; I54-E102 HydrophobicContact CD1-CG 4.47Å; I54-E102 VanDerWaalsContact CD1-OE2 3.29Å; I54-E102 WeakPolarHBondContact CD1-OE2 3.37Å; I54-E102 HydrophobicContact CG1-CB 3.73Å; I54-E102 WeakPolarHBondContact CG1-OE2 3.48Å; G98-E102 WeakPolarHBondContact O-CG 3.39Å; G98-E102 PolarHBondContact O-N 2.95Å; T99-E102 PolarHBondContact O-N 2.88Å; E102-L105 PolarHBondContact O-N 3.34Å; E102-A106 VanDerWaalsContact O-CB 3.32Å; E102-A106 WeakPolarHBondContact O-CB 3.32Å; E102-A106 PolarHBondContact O-N 3.38Å
103L98.7Very high97.4Very high0 Ų057.7 Ų57.70%028%0.277CS..Hα-helixtrans-60.5-44.5171.9-79.6169.8000111.8I54 K57 V58 F92 L93 V95 T99 L100 F101 A106 A107I54-L103 HydrophobicContact CD1-CG 4.39Å; I54-L103 HydrophobicContact CG2-CD2 4.14Å; K57-L103 HydrophobicContact CB-CD2 3.73Å; K57-L103 HydrophobicContact CD-CD1 4.3Å; K57-L103 HydrophobicContact CD-CD2 4.48Å; V58-L103 HydrophobicContact CG2-CD2 4.07Å; F92-L103 HydrophobicContact CE1-CD1 4.27Å; F92-L103 HydrophobicContact CZ-CD2 4.48Å; L93-L103 HydrophobicContact CD2-CD1 4.14Å; V95-L103 HydrophobicContact CG2-CD1 4.47Å; T99-L103 HydrophobicContact CG2-CD1 4.26Å; T99-L103 WeakPolarHBondContact O-CB 3.29Å; T99-L103 WeakPolarHBondContact O-CG 3.41Å; T99-L103 PolarHBondContact O-N 3.48Å; L100-L103 PolarHBondContact O-N 2.87Å; F101-L103 VanDerWaalsContact C-N 3.34Å; L103-A106 PolarHBondContact O-N 3.19Å; L103-A107 VanDerWaalsContact O-CB 3.26Å; L103-A107 WeakPolarHBondContact O-CB 3.47Å; L103-A107 PolarHBondContact O-N 2.95Å
104M98.4Very high97.2Very high44 Ų4459 Ų5922%0.21729%0.293CS..Hα-helixtrans-62.9-43.2178.3-168.3176.773.300111.7L100 F101 A107 N108 L116 C119L100-M104 WeakPolarHBondContact O-CB 3.17Å; L100-M104 PolarHBondContact O-N 3.4Å; F101-M104 HydrophobicContact CD1-CE 3.73Å; F101-M104 HydrophobicContact CE1-CE 4.21Å; F101-M104 PolarHBondContact O-N 2.83Å; M104-A107 PolarHBondContact O-N 3.48Å; M104-N108 WeakPolarHBondContact O-CB 3.45Å; M104-N108 PolarHBondContact O-N 3.17Å; M104-L116 HydrophobicContact CG-CD1 3.64Å; M104-C119 HydrophobicContact CB-CB 3.97Å; M104-C119 HydrophobicContact CG-CB 3.99Å
105L98.3Very high97.2Very high116 Ų11650 Ų5061%0.60726%0.258SS*.Hα-helixtrans-65.2-43.2175.9-72.2173.5000111.9F101 E102 N108 Y109F101-L105 WeakPolarHBondContact O-CB 3.43Å; F101-L105 VanDerWaalsContact O-CG 3.32Å; F101-L105 WeakPolarHBondContact O-CG 3.32Å; F101-L105 PolarHBondContact O-N 3.37Å; E102-L105 PolarHBondContact O-N 3.34Å; L105-N108 PolarHBondContact O-N 3.03Å; L105-Y109 VanDerWaalsContact O-CB 3.28Å; L105-Y109 WeakPolarHBondContact O-CB 3.26Å; L105-Y109 PolarHBondContact O-N 2.86Å
106A98.7Very high97.2Very high3 Ų350.4 Ų50.43%0.02526%0.259CS..Hα-helixtrans-64.5-42.8176.600000111.7V50 I54 V58 E102 L103 N108 Y109 L110V50-A106 HydrophobicContact CG1-CB 3.99Å; V50-A106 HydrophobicContact CG2-CB 3.98Å; I54-A106 HydrophobicContact CG2-CB 3.69Å; V58-A106 HydrophobicContact CG2-CB 4.09Å; E102-A106 VanDerWaalsContact O-CB 3.32Å; E102-A106 WeakPolarHBondContact O-CB 3.32Å; E102-A106 PolarHBondContact O-N 3.38Å; L103-A106 PolarHBondContact O-N 3.19Å; A106-N108 PolarHBondContact O-N 3.28Å; A106-Y109 PolarHBondContact O-N 3.34Å; A106-L110 WeakPolarHBondContact O-CB 3.4Å; A106-L110 WeakPolarHBondContact O-CG 3.4Å; A106-L110 PolarHBondContact O-N 2.91Å
107A98.5Very high97.2Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-62.2-42.117700000111.9L103 M104 D111 I112 L115 L116L103-A107 VanDerWaalsContact O-CB 3.26Å; L103-A107 WeakPolarHBondContact O-CB 3.47Å; L103-A107 PolarHBondContact O-N 2.95Å; M104-A107 PolarHBondContact O-N 3.48Å; A107-D111 WeakPolarHBondContact O-CA 3.49Å; A107-D111 PolarHBondContact O-N 2.92Å; A107-I112 PolarHBondContact O-N 3.42Å; A107-L115 HydrophobicContact CB-CB 3.99Å; A107-L115 HydrophobicContact CB-CD2 3.84Å; A107-L115 HydrophobicContact CB-CG 3.71Å; A107-L116 HydrophobicContact CB-CB 4.04Å
108N98.3Very high97.2Very high107 Ų10745.5 Ų45.557%0.57224%0.236SC*.Hα-helixtrans-66.5-44.7174.1178.871.3000112M104 L105 A106 L110 D111 L116M104-N108 WeakPolarHBondContact O-CB 3.45Å; M104-N108 PolarHBondContact O-N 3.17Å; L105-N108 PolarHBondContact O-N 3.03Å; A106-N108 PolarHBondContact O-N 3.28Å; N108-L110 VanDerWaalsContact C-N 3.33Å; N108-L110 PolarHBondContact O-N 3.14Å; N108-D111 PolarHBondContact O-N 3.28Å; N108-L116 HydrophobicContact CB-CD1 4.23Å; N108-L116 HydrophobicContact CB-CD2 4.2Å
109Y98.2Very high97.3Very high76 Ų7643.7 Ų43.730%0.29822%0.216SC..Hα-helixtrans-61.5-39.7179169.7-115.7000112.7L47 N49 V50 L105 A106L47-Y109 HydrophobicContact CD2-CE1 4.41Å; N49-Y109 HydrophobicContact CB-CD1 3.97Å; N49-Y109 HydrophobicContact CB-CD2 4.36Å; N49-Y109 HydrophobicContact CB-CE1 3.95Å; N49-Y109 HydrophobicContact CB-CE2 4.36Å; N49-Y109 HydrophobicContact CB-CG 4.18Å; N49-Y109 WeakPolarHBondContact ND2-CE2 3.35Å; V50-Y109 HydrophobicContact CG2-CD1 3.72Å; V50-Y109 HydrophobicContact CG2-CE1 4.09Å; L105-Y109 VanDerWaalsContact O-CB 3.28Å; L105-Y109 WeakPolarHBondContact O-CB 3.26Å; L105-Y109 PolarHBondContact O-N 2.86Å; A106-Y109 PolarHBondContact O-N 3.34Å
110L98.2Very high97.2Very high3 Ų345 Ų452%0.01623%0.227CC..THydrogen-bonded Turntrans-89.71.8179.8-63.5173.9000113.2S24 T26 I27 L47 V50 V58 A106 N108 I112S24-L110 WeakPolarHBondContact CA-O 3.42Å; S24-L110 VanDerWaalsContact CB-O 3.26Å; S24-L110 WeakPolarHBondContact CB-O 3.49Å; S24-L110 PolarHBondContact OG-O 2.9Å; T26-L110 PolarHBondContact OG1-O 3.05Å; I27-L110 HydrophobicContact CD1-CD2 4.36Å; L47-L110 HydrophobicContact CD1-CD2 4.17Å; L47-L110 HydrophobicContact CD2-CD2 3.82Å; V50-L110 HydrophobicContact CG2-CD1 4.44Å; V58-L110 HydrophobicContact CG1-CD1 4.11Å; A106-L110 WeakPolarHBondContact O-CB 3.4Å; A106-L110 WeakPolarHBondContact O-CG 3.4Å; A106-L110 PolarHBondContact O-N 2.91Å; N108-L110 VanDerWaalsContact C-N 3.33Å; N108-L110 PolarHBondContact O-N 3.14Å; L110-I112 HydrophobicContact CB-CD1 3.79Å; L110-I112 HydrophobicContact CB-CG1 3.87Å; L110-I112 HydrophobicContact CD1-CD1 4.04Å; L110-I112 PolarHBondContact O-N 2.85Å
111D97.6Very high97.1Very high52 Ų5245.7 Ų45.728%0.27823%0.229SC..THydrogen-bonded Turntrans4757.8-173.8-167.63.1000112.3V25 A107 N108 R113V25-D111 HydrophobicContact CB-CB 3.93Å; V25-D111 WeakPolarHBondContact CB-OD2 3.43Å; V25-D111 PolarHBondContact N-O 2.66Å; V25-D111 VanDerWaalsContact N-O 3.14Å; A107-D111 WeakPolarHBondContact O-CA 3.49Å; A107-D111 PolarHBondContact O-N 2.92Å; N108-D111 PolarHBondContact O-N 3.28Å; D111-R113 WeakPolarHBondContact OD1-CG 3.3Å; D111-R113 IonicContact OD1-NE 2.62Å
112I97.4Very high97Very high4 Ų443.3 Ų43.32%0.02122%0.22CC..  trans-104.582.9173.8-54.3168.9000107.7V58 W61 A107 L110 G114 L115 L116V58-I112 HydrophobicContact CG1-CD1 3.41Å; V58-I112 VanDerWaalsContact CG1-CD1 3.41Å; W61-I112 HydrophobicContact CE3-CG2 4.08Å; W61-I112 HydrophobicContact CZ3-CG2 3.79Å; A107-I112 PolarHBondContact O-N 3.42Å; L110-I112 HydrophobicContact CB-CD1 3.79Å; L110-I112 HydrophobicContact CB-CG1 3.87Å; L110-I112 HydrophobicContact CD1-CD1 4.04Å; L110-I112 PolarHBondContact O-N 2.85Å; I112-G114 PolarHBondContact O-N 3.19Å; I112-L115 HydrophobicContact CB-CB 4.32Å; I112-L115 HydrophobicContact CG2-CB 3.72Å; I112-L115 PolarHBondContact O-N 3.47Å; I112-L116 PolarHBondContact O-N 3.37Å
113R93.3Very high96.9Very high181 Ų18140 Ų4068%0.68321%0.207SC*.Hα-helixtrans-56.7-43.6-170.3-62.7-176.5-173.21771.3114D111 L115 L116 D117D111-R113 WeakPolarHBondContact OD1-CG 3.3Å; D111-R113 IonicContact OD1-NE 2.62Å; R113-L115 PolarHBondContact O-N 3.4Å; R113-L116 PolarHBondContact O-N 3.3Å; R113-D117 WeakPolarHBondContact O-CB 3.4Å; R113-D117 PolarHBondContact O-N 3.03Å
114G93.7Very high96.6Very high33 Ų3341.8 Ų41.834%0.3422%0.221SC..Hα-helixtrans-61.2-46.1-179.600000112.5I112 D117 V118I112-G114 PolarHBondContact O-N 3.19Å; G114-D117 PolarHBondContact O-N 3.5Å; G114-V118 WeakPolarHBondContact O-CG2 3.06Å; G114-V118 PolarHBondContact O-N 2.69Å; G114-V118 VanDerWaalsContact O-N 3.09Å
115L97.3Very high96.4Very high0 Ų042.7 Ų42.70%023%0.227CC..Hα-helixtrans-64.7-41176.3178.957.3000111.6V58 W61 F92 L93 A107 I112 R113 D117 V118 C119V58-L115 HydrophobicContact CG1-CD2 4.48Å; V58-L115 HydrophobicContact CG2-CD2 4.04Å; W61-L115 HydrophobicContact CB-CD1 4.4Å; W61-L115 HydrophobicContact CD2-CB 3.82Å; W61-L115 HydrophobicContact CD2-CD1 4.09Å; W61-L115 HydrophobicContact CD2-CG 4.37Å; W61-L115 HydrophobicContact CE3-CB 3.9Å; W61-L115 HydrophobicContact CG-CB 4.39Å; W61-L115 HydrophobicContact CG-CD1 3.79Å; W61-L115 HydrophobicContact CG-CD2 4.48Å; W61-L115 HydrophobicContact CG-CG 4.43Å; W61-L115 HydrophobicContact CH2-CB 4.4Å; W61-L115 HydrophobicContact CZ2-CB 4.3Å; W61-L115 HydrophobicContact CZ3-CB 4.19Å; F92-L115 HydrophobicContact CE1-CD1 3.94Å; L93-L115 HydrophobicContact CD2-CD1 4.49Å; A107-L115 HydrophobicContact CB-CB 3.99Å; A107-L115 HydrophobicContact CB-CD2 3.84Å; A107-L115 HydrophobicContact CB-CG 3.71Å; I112-L115 HydrophobicContact CB-CB 4.32Å; I112-L115 HydrophobicContact CG2-CB 3.72Å; I112-L115 PolarHBondContact O-N 3.47Å; R113-L115 PolarHBondContact O-N 3.4Å; L115-D117 VanDerWaalsContact C-N 3.34Å; L115-V118 HydrophobicContact CD1-CG2 4.26Å; L115-V118 WeakPolarHBondContact O-CG2 3.42Å; L115-C119 WeakPolarHBondContact O-CB 3.32Å; L115-C119 PolarHBondContact O-N 2.9Å; L115-C119 PolarHBondContact O-SG 2.9Å
116L97Very high96.1Very high47 Ų4739.8 Ų39.825%0.24621%0.211CC..Hα-helixtrans-62.3-43.4176.9-17958.6000111.2M104 A107 N108 I112 R113 C119 C120M104-L116 HydrophobicContact CG-CD1 3.64Å; A107-L116 HydrophobicContact CB-CB 4.04Å; N108-L116 HydrophobicContact CB-CD1 4.23Å; N108-L116 HydrophobicContact CB-CD2 4.2Å; I112-L116 PolarHBondContact O-N 3.37Å; R113-L116 PolarHBondContact O-N 3.3Å; L116-C119 PolarHBondContact O-N 3.18Å; L116-C120 WeakPolarHBondContact O-CB 3.31Å; L116-C120 PolarHBondContact O-N 3.29Å; L116-C120 PolarHBondContact O-SG 3.4Å
117D94.5Very high95.8Very high53 Ų5342.9 Ų42.928%0.28323%0.226SC..Hα-helixtrans-59.5-53.6177.7-17756.1000111.5R113 G114 L115 C119 C120 K121R113-D117 WeakPolarHBondContact O-CB 3.4Å; R113-D117 PolarHBondContact O-N 3.03Å; G114-D117 PolarHBondContact O-N 3.5Å; L115-D117 VanDerWaalsContact C-N 3.34Å; D117-C119 VanDerWaalsContact C-N 3.3Å; D117-C119 PolarHBondContact O-N 3.16Å; D117-C120 WeakPolarHBondContact O-CB 3.42Å; D117-C120 PolarHBondContact O-N 3.35Å; D117-C120 VanDerWaalsContact O-N 3.14Å; D117-K121 VanDerWaalsContact CG-CE 3.48Å; D117-K121 WeakPolarHBondContact O-CG 3.38Å; D117-K121 PolarHBondContact O-N 3.25Å; D117-K121 VanDerWaalsContact OD1-CE 3.25Å; D117-K121 WeakPolarHBondContact OD1-CE 3.34Å; D117-K121 WeakPolarHBondContact OD2-CE 3.38Å; D117-K121 IonicContact OD2-NZ 2.98Å; D117-K121 PolarHBondContact OD2-NZ 2.87Å; D117-K121 VanDerWaalsContact OD2-NZ 3.09Å
118V96.1Very high95.4Very high9 Ų949.1 Ų49.16%0.05525%0.254CS..Hα-helixtrans-64.9-33.1-179.8-64.30000112.5I85 D89 L93 G114 L115 T122I85-V118 HydrophobicContact CG2-CB 4.37Å; I85-V118 HydrophobicContact CG2-CG1 4.25Å; D89-V118 HydrophobicContact CB-CB 4.31Å; D89-V118 HydrophobicContact CB-CG1 4.16Å; D89-V118 HydrophobicContact CB-CG2 4.48Å; L93-V118 HydrophobicContact CD1-CB 3.88Å; L93-V118 HydrophobicContact CD1-CG2 3.81Å; L93-V118 WeakPolarHBondContact CD1-O 2.99Å; G114-V118 WeakPolarHBondContact O-CG2 3.06Å; G114-V118 PolarHBondContact O-N 2.69Å; G114-V118 VanDerWaalsContact O-N 3.09Å; L115-V118 HydrophobicContact CD1-CG2 4.26Å; L115-V118 WeakPolarHBondContact O-CG2 3.42Å; V118-T122 WeakPolarHBondContact O-CB 3.47Å; V118-T122 PolarHBondContact O-N 2.86Å; V118-T122 PolarHBondContact O-OG1 2.87Å
119C97.7Very high95Very high0 Ų048.1 Ų48.10%027%0.268CS..Hα-helixtrans-62-50.7171.1-71.60000111.2L100 M104 L115 L116 D117 K121 T122 V123L100-C119 HydrophobicContact CD1-CB 4.35Å; M104-C119 HydrophobicContact CB-CB 3.97Å; M104-C119 HydrophobicContact CG-CB 3.99Å; L115-C119 WeakPolarHBondContact O-CB 3.32Å; L115-C119 PolarHBondContact O-N 2.9Å; L115-C119 PolarHBondContact O-SG 2.9Å; L116-C119 PolarHBondContact O-N 3.18Å; D117-C119 VanDerWaalsContact C-N 3.3Å; D117-C119 PolarHBondContact O-N 3.16Å; C119-K121 PolarHBondContact O-N 3.38Å; C119-T122 WeakPolarHBondContact O-CB 3.44Å; C119-T122 PolarHBondContact O-N 3.16Å; C119-V123 WeakPolarHBondContact O-CG2 3.26Å; C119-V123 PolarHBondContact O-N 3.49Å
120C96Very high94.6Very high57 Ų5748 Ų4839%0.38527%0.269SS..Hα-helixtrans-60.3-46178.9-75.50000111.8L116 D117 T122 V123 A124L116-C120 WeakPolarHBondContact O-CB 3.31Å; L116-C120 PolarHBondContact O-N 3.29Å; L116-C120 PolarHBondContact O-SG 3.4Å; D117-C120 WeakPolarHBondContact O-CB 3.42Å; D117-C120 PolarHBondContact O-N 3.35Å; D117-C120 VanDerWaalsContact O-N 3.14Å; C120-T122 VanDerWaalsContact C-N 3.3Å; C120-T122 PolarHBondContact O-N 2.86Å; C120-V123 PolarHBondContact O-N 3.44Å; C120-A124 WeakPolarHBondContact O-CB 3.49Å; C120-A124 PolarHBondContact O-N 3.31Å
121K95.4Very high94.2Very high14 Ų1450.6 Ų50.66%0.06129%0.285CS..Hα-helixtrans-61-40176.3-70.5178.8177-174.40111.8K78 R81 D84 I85 D117 C119 A124 N125K78-K121 PolarHBondContact O-NZ 2.95Å; R81-K121 WeakPolarHBondContact O-CD 3.4Å; R81-K121 WeakPolarHBondContact O-CE 3.3Å; D84-K121 VanDerWaalsContact CG-NZ 3.31Å; D84-K121 IonicContact OD1-NZ 3.57Å; D84-K121 PolarHBondContact OD1-NZ 2.79Å; D84-K121 IonicContact OD2-NZ 3.58Å; D84-K121 PolarHBondContact OD2-NZ 2.73Å; D84-K121 VanDerWaalsContact OD2-NZ 3.12Å; I85-K121 HydrophobicContact CD1-CB 3.63Å; I85-K121 HydrophobicContact CG1-CB 3.75Å; I85-K121 HydrophobicContact CG1-CD 4.13Å; D117-K121 VanDerWaalsContact CG-CE 3.48Å; D117-K121 WeakPolarHBondContact O-CG 3.38Å; D117-K121 PolarHBondContact O-N 3.25Å; D117-K121 VanDerWaalsContact OD1-CE 3.25Å; D117-K121 WeakPolarHBondContact OD1-CE 3.34Å; D117-K121 WeakPolarHBondContact OD2-CE 3.38Å; D117-K121 IonicContact OD2-NZ 2.98Å; D117-K121 PolarHBondContact OD2-NZ 2.87Å; D117-K121 VanDerWaalsContact OD2-NZ 3.09Å; C119-K121 PolarHBondContact O-N 3.38Å; K121-A124 PolarHBondContact O-N 3.34Å; K121-N125 WeakPolarHBondContact O-CB 3.36Å; K121-N125 PolarHBondContact O-N 2.99Å; K121-N125 PolarHBondContact O-ND2 2.99Å
122T95.8Very high93.7Very high20 Ų2051.7 Ų51.712%0.12330%0.295CS..Hα-helixtrans-63-47.3176-58.70000111L93 L100 V118 C119 C120 A124 N125 M126L93-T122 HydrophobicContact CB-CG2 4.4Å; L93-T122 WeakPolarHBondContact CD1-OG1 3.5Å; L100-T122 HydrophobicContact CD2-CG2 4.08Å; V118-T122 WeakPolarHBondContact O-CB 3.47Å; V118-T122 PolarHBondContact O-N 2.86Å; V118-T122 PolarHBondContact O-OG1 2.87Å; C119-T122 WeakPolarHBondContact O-CB 3.44Å; C119-T122 PolarHBondContact O-N 3.16Å; C120-T122 VanDerWaalsContact C-N 3.3Å; C120-T122 PolarHBondContact O-N 2.86Å; T122-A124 PolarHBondContact O-N 3.25Å; T122-N125 PolarHBondContact O-N 3.3Å; T122-M126 HydrophobicContact CG2-CE 4.05Å; T122-M126 WeakPolarHBondContact O-CG 3.38Å; T122-M126 PolarHBondContact O-N 3.43Å; T122-M126 VanDerWaalsContact O-N 3.13Å
123V95.5Very high93.3Very high21 Ų2156.6 Ų56.613%0.12732%0.318CS..Hα-helixtrans-62.6-42.7175.8174.20000111.3L100 F101 C119 C120 N125 M126 I127 F139L100-V123 HydrophobicContact CD2-CG2 3.73Å; L100-V123 HydrophobicContact CG-CG2 4.24Å; F101-V123 HydrophobicContact CE1-CG2 4.12Å; C119-V123 WeakPolarHBondContact O-CG2 3.26Å; C119-V123 PolarHBondContact O-N 3.49Å; C120-V123 PolarHBondContact O-N 3.44Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 2.9Å; V123-M126 WeakPolarHBondContact O-CA 3.28Å; V123-M126 WeakPolarHBondContact O-CB 3.46Å; V123-M126 PolarHBondContact O-N 3.06Å; V123-I127 HydrophobicContact CG1-CD1 4.01Å; V123-I127 WeakPolarHBondContact O-CG1 3.44Å; V123-I127 PolarHBondContact O-N 3.32Å; V123-F139 HydrophobicContact CG1-CE1 4.49Å; V123-F139 HydrophobicContact CG1-CZ 4.3Å
124A93.9Very high93.2Very high37 Ų3752.6 Ų52.631%0.30631%0.307SS..Hα-helixtrans-60.7-40.717700000111.8T82 C120 K121 T122 M126 I127 K128T82-A124 HydrophobicContact CG2-CB 3.66Å; C120-A124 WeakPolarHBondContact O-CB 3.49Å; C120-A124 PolarHBondContact O-N 3.31Å; K121-A124 PolarHBondContact O-N 3.34Å; T122-A124 PolarHBondContact O-N 3.25Å; A124-M126 VanDerWaalsContact C-N 3.28Å; A124-M126 PolarHBondContact O-N 3.05Å; A124-I127 PolarHBondContact O-N 3.33Å; A124-I127 VanDerWaalsContact O-N 3.09Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 3.36Å
125N92.8Very high93.1Very high64 Ų6452.9 Ų52.934%0.34230%0.3SS..Hα-helixtrans-63.8-30.2172.9-79.4-31.2000113.2T82 K121 T122 V123 I127T82-N125 VanDerWaalsContact CB-OD1 3.3Å; T82-N125 WeakPolarHBondContact CB-OD1 3.35Å; T82-N125 PolarHBondContact O-ND2 3.27Å; T82-N125 PolarHBondContact OG1-OD1 2.86Å; K121-N125 WeakPolarHBondContact O-CB 3.36Å; K121-N125 PolarHBondContact O-N 2.99Å; K121-N125 PolarHBondContact O-ND2 2.99Å; T122-N125 PolarHBondContact O-N 3.3Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 2.9Å; N125-I127 VanDerWaalsContact C-N 3.28Å; N125-I127 PolarHBondContact O-N 3.14Å
126M92.5Very high92.8Very high54 Ų5455 Ų5527%0.26631%0.308SS..Hα-helixtrans-71.8-22.3173.4-64.3-176.4-175.700113.2L100 T122 V123 A124 K130 F139L100-M126 HydrophobicContact CD2-CE 3.73Å; L100-M126 HydrophobicContact CD2-SD 4.37Å; T122-M126 HydrophobicContact CG2-CE 4.05Å; T122-M126 WeakPolarHBondContact O-CG 3.38Å; T122-M126 PolarHBondContact O-N 3.43Å; T122-M126 VanDerWaalsContact O-N 3.13Å; V123-M126 WeakPolarHBondContact O-CA 3.28Å; V123-M126 WeakPolarHBondContact O-CB 3.46Å; V123-M126 PolarHBondContact O-N 3.06Å; A124-M126 VanDerWaalsContact C-N 3.28Å; A124-M126 PolarHBondContact O-N 3.05Å; M126-K130 WeakPolarHBondContact O-CD 3.26Å; M126-K130 WeakPolarHBondContact O-CE 3.15Å; M126-K130 PolarHBondContact O-NZ 2.76Å; M126-F139 HydrophobicContact CB-CZ 4.17Å
127I92.9Very high92.5Very high68 Ų6861.4 Ų61.435%0.34933%0.334SS..Hα-helixtrans-92.1-36.8179.3-65.7166.2000110.9V123 A124 N125 G129 K130 I135 F139V123-I127 HydrophobicContact CG1-CD1 4.01Å; V123-I127 WeakPolarHBondContact O-CG1 3.44Å; V123-I127 PolarHBondContact O-N 3.32Å; A124-I127 PolarHBondContact O-N 3.33Å; A124-I127 VanDerWaalsContact O-N 3.09Å; N125-I127 VanDerWaalsContact C-N 3.28Å; N125-I127 PolarHBondContact O-N 3.14Å; I127-G129 PolarHBondContact O-N 3.01Å; I127-K130 WeakPolarHBondContact O-CB 3.49Å; I127-K130 PolarHBondContact O-N 2.85Å; I127-K130 VanDerWaalsContact O-N 3.07Å; I127-I135 HydrophobicContact CG2-CD1 3.72Å; I127-I135 HydrophobicContact CG2-CG1 4.22Å; I127-F139 HydrophobicContact CD1-CE2 4.36Å; I127-F139 HydrophobicContact CD1-CZ 4.43Å; I127-F139 HydrophobicContact CG1-CE2 3.67Å; I127-F139 HydrophobicContact CG1-CZ 3.95Å
128K90.4Very high92.2Very high132 Ų13260.8 Ų60.857%0.57433%0.332SS*.THydrogen-bonded Turntrans-52.7125.3-174.3-172.1177.4-175.2175.50111.9A124 K130A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 3.36Å; K128-K130 VanDerWaalsContact C-N 3.27Å; K128-K130 PolarHBondContact O-N 3.05Å
129G88Confident91.9Very high85 Ų8562 Ų6288%0.87634%0.337SS*.THydrogen-bonded Turntrans76.36.6176.800000115.4I127I127-G129 PolarHBondContact O-N 3.01Å
130K91.1Very high91.5Very high75 Ų7569.3 Ų69.333%0.32638%0.376SS..  trans-95.2148.1173.2-67.4-173-179.3165.90111.8M126 I127 K128 E134 I135 T138M126-K130 WeakPolarHBondContact O-CD 3.26Å; M126-K130 WeakPolarHBondContact O-CE 3.15Å; M126-K130 PolarHBondContact O-NZ 2.76Å; I127-K130 WeakPolarHBondContact O-CB 3.49Å; I127-K130 PolarHBondContact O-N 2.85Å; I127-K130 VanDerWaalsContact O-N 3.07Å; K128-K130 VanDerWaalsContact C-N 3.27Å; K128-K130 PolarHBondContact O-N 3.05Å; K130-E134 WeakPolarHBondContact CA-OE2 3.44Å; K130-E134 HydrophobicContact CB-CB 3.99Å; K130-E134 HydrophobicContact CD-CB 4.29Å; K130-E134 HydrophobicContact CG-CB 4.35Å; K130-I135 HydrophobicContact CB-CD1 4.32Å; K130-I135 HydrophobicContact CB-CG1 3.73Å; K130-T138 PolarHBondContact NZ-OG1 3.25Å
131T90.1Very high91.2Very high57 Ų5771 Ų7135%0.3538%0.381SS..  trans-70.4158.2169.257.20000111.5E133 E134 I135T131-E133 WeakPolarHBondContact CB-OE2 3.36Å; T131-E133 PolarHBondContact O-N 2.82Å; T131-E134 PolarHBondContact N-OE2 3.24Å; T131-E134 PolarHBondContact O-N 2.84Å; T131-E134 VanDerWaalsContact O-N 3.11Å; T131-E134 WeakPolarHBondContact OG1-CB 3.07Å; T131-E134 VanDerWaalsContact OG1-CD 3.27Å; T131-E134 WeakPolarHBondContact OG1-CG 3.31Å; T131-E134 PolarHBondContact OG1-N 3.43Å; T131-E134 PolarHBondContact OG1-OE2 2.8Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 2.99Å
132P87.1Confident90.8Very high74 Ų7478.8 Ų78.848%0.48141%0.414SS..Hα-helixtrans-51.6-38.9173.5-28.136.4000113.4I135 R136P132-I135 PolarHBondContact O-N 2.8Å; P132-R136 WeakPolarHBondContact O-CB 3.44Å; P132-R136 VanDerWaalsContact O-CG 3.27Å; P132-R136 WeakPolarHBondContact O-CG 3.22Å; P132-R136 PolarHBondContact O-N 3.04Å
133E88.1Confident90.3Very high108 Ų10880.1 Ų80.151%0.50542%0.424SS..Hα-helixtrans-67-42.2178.2-62.476.7-168.500112T131 R136 K137T131-E133 WeakPolarHBondContact CB-OE2 3.36Å; T131-E133 PolarHBondContact O-N 2.82Å; E133-R136 PolarHBondContact O-N 3.43Å; E133-K137 WeakPolarHBondContact O-CB 3.36Å; E133-K137 PolarHBondContact O-N 3.14Å
134E91.2Very high89.9Confident97 Ų9785.2 Ų85.245%0.45345%0.45SS..Hα-helixtrans-67.6-37.1176.2-74168.9137.400112.2K130 T131 K137 T138K130-E134 WeakPolarHBondContact CA-OE2 3.44Å; K130-E134 HydrophobicContact CB-CB 3.99Å; K130-E134 HydrophobicContact CD-CB 4.29Å; K130-E134 HydrophobicContact CG-CB 4.35Å; T131-E134 PolarHBondContact N-OE2 3.24Å; T131-E134 PolarHBondContact O-N 2.84Å; T131-E134 VanDerWaalsContact O-N 3.11Å; T131-E134 WeakPolarHBondContact OG1-CB 3.07Å; T131-E134 VanDerWaalsContact OG1-CD 3.27Å; T131-E134 WeakPolarHBondContact OG1-CG 3.31Å; T131-E134 PolarHBondContact OG1-N 3.43Å; T131-E134 PolarHBondContact OG1-OE2 2.8Å; E134-K137 PolarHBondContact O-N 3.37Å; E134-T138 VanDerWaalsContact O-CB 3.28Å; E134-T138 WeakPolarHBondContact O-CB 3.32Å; E134-T138 PolarHBondContact O-N 3.03Å; E134-T138 PolarHBondContact O-OG1 3.35Å
135I92.1Very high89.5Confident39 Ų3987.4 Ų87.420%0.245%0.453CS..Hα-helixtrans-63.9-50.4173.9-66.8161.5000109.3I127 K130 T131 P132 K137 T138 F139I127-I135 HydrophobicContact CG2-CD1 3.72Å; I127-I135 HydrophobicContact CG2-CG1 4.22Å; K130-I135 HydrophobicContact CB-CD1 4.32Å; K130-I135 HydrophobicContact CB-CG1 3.73Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 2.99Å; P132-I135 PolarHBondContact O-N 2.8Å; I135-K137 VanDerWaalsContact C-N 3.27Å; I135-K137 PolarHBondContact O-N 3.49Å; I135-T138 WeakPolarHBondContact O-CB 3.44Å; I135-T138 PolarHBondContact O-N 2.87Å; I135-F139 HydrophobicContact CG2-CD2 3.76Å; I135-F139 HydrophobicContact CG2-CE2 4.1Å; I135-F139 WeakPolarHBondContact O-CD2 3.26Å; I135-F139 PolarHBondContact O-N 3.42Å
136R90.7Very high89.3Confident43 Ų4387.3 Ų87.316%0.16246%0.455CS..Hα-helixtrans-53.8-46176.3-78.7171.7177.7167.2-4.7111.6P132 E133 N140 I141 C143 F145 E150P132-R136 WeakPolarHBondContact O-CB 3.44Å; P132-R136 VanDerWaalsContact O-CG 3.27Å; P132-R136 WeakPolarHBondContact O-CG 3.22Å; P132-R136 PolarHBondContact O-N 3.04Å; E133-R136 PolarHBondContact O-N 3.43Å; R136-N140 CarbonylContact O-C 3.55Å; R136-N140 WeakPolarHBondContact O-CA 3.5Å; R136-N140 PolarHBondContact O-N 3.19Å; R136-I141 HydrophobicContact CB-CB 4.44Å; R136-I141 WeakPolarHBondContact CB-O 3.44Å; R136-I141 HydrophobicContact CG-CB 4.29Å; R136-I141 HydrophobicContact CG-CG2 4.44Å; R136-I141 PolarHBondContact O-N 2.57Å; R136-C143 PolarHBondContact NH1-SG 3.48Å; R136-F145 VanDerWaalsContact NH2-CE2 3.32Å; R136-E150 IonicContact NH1-OE1 3.49Å; R136-E150 PolarHBondContact NH1-OE1 3.41Å
137K90.5Very high89.1Confident182 Ų18289 Ų8979%0.79147%0.47SS*.Hα-helixtrans-64.6-42.7175.6-173.3178.8178.6-177.40112.6E133 E134 I135 F139 N140E133-K137 WeakPolarHBondContact O-CB 3.36Å; E133-K137 PolarHBondContact O-N 3.14Å; E134-K137 PolarHBondContact O-N 3.37Å; I135-K137 VanDerWaalsContact C-N 3.27Å; I135-K137 PolarHBondContact O-N 3.49Å; K137-F139 PolarHBondContact O-N 2.97Å; K137-N140 PolarHBondContact O-N 2.92Å
138T88.2Confident89Confident40 Ų4092 Ų9225%0.24548%0.483CS..Hα-helixtrans-62.5-41.8-178.5-62.60000111.8Q97 K130 E134 I135Q97-T138 PolarHBondContact NE2-O 3.24Å; Q97-T138 PolarHBondContact OE1-O 3.01Å; K130-T138 PolarHBondContact NZ-OG1 3.25Å; E134-T138 VanDerWaalsContact O-CB 3.28Å; E134-T138 WeakPolarHBondContact O-CB 3.32Å; E134-T138 PolarHBondContact O-N 3.03Å; E134-T138 PolarHBondContact O-OG1 3.35Å; I135-T138 WeakPolarHBondContact O-CB 3.44Å; I135-T138 PolarHBondContact O-N 2.87Å
139F90.6Very high88.9Confident34 Ų3490.2 Ų90.215%0.14948%0.476CS..THydrogen-bonded Turntrans-101.410.8-176.1-65.2-76.5000113.2F101 V123 M126 I127 I135 K137 I141F101-F139 HydrophobicContact CE2-CD1 4.15Å; F101-F139 HydrophobicContact CE2-CE1 4.38Å; F101-F139 AromaticContact CZ-CD1 3.8Å; F101-F139 HydrophobicContact CZ-CD1 3.8Å; F101-F139 AromaticContact CZ-CE1 3.75Å; F101-F139 HydrophobicContact CZ-CE1 3.75Å; V123-F139 HydrophobicContact CG1-CE1 4.49Å; V123-F139 HydrophobicContact CG1-CZ 4.3Å; M126-F139 HydrophobicContact CB-CZ 4.17Å; I127-F139 HydrophobicContact CD1-CE2 4.36Å; I127-F139 HydrophobicContact CD1-CZ 4.43Å; I127-F139 HydrophobicContact CG1-CE2 3.67Å; I127-F139 HydrophobicContact CG1-CZ 3.95Å; I135-F139 HydrophobicContact CG2-CD2 3.76Å; I135-F139 HydrophobicContact CG2-CE2 4.1Å; I135-F139 WeakPolarHBondContact O-CD2 3.26Å; I135-F139 PolarHBondContact O-N 3.42Å; K137-F139 PolarHBondContact O-N 2.97Å; F139-I141 HydrophobicContact CB-CD1 3.78Å; F139-I141 HydrophobicContact CB-CG1 3.85Å; F139-I141 PolarHBondContact O-N 2.91Å
140N89.6Confident88.8Confident154 Ų15489.7 Ų89.782%0.82445%0.451SS*.THydrogen-bonded Turntrans52.139.9-178.3-166.943.2000113.5R136 K137R136-N140 CarbonylContact O-C 3.55Å; R136-N140 WeakPolarHBondContact O-CA 3.5Å; R136-N140 PolarHBondContact O-N 3.19Å; K137-N140 PolarHBondContact O-N 2.92Å
141I89.4Confident88.7Confident94 Ų9493.1 Ų93.148%0.48247%0.468SS..  trans-90.1123.3178.1-56.3169.7000108.2R136 F139R136-I141 HydrophobicContact CB-CB 4.44Å; R136-I141 WeakPolarHBondContact CB-O 3.44Å; R136-I141 HydrophobicContact CG-CB 4.29Å; R136-I141 HydrophobicContact CG-CG2 4.44Å; R136-I141 PolarHBondContact O-N 2.57Å; F139-I141 HydrophobicContact CB-CD1 3.78Å; F139-I141 HydrophobicContact CB-CG1 3.85Å; F139-I141 PolarHBondContact O-N 2.91Å
142K86.7Confident88.7Confident176 Ų17695 Ų9577%0.76547%0.473SS*.  trans-71.3134.4174.7-177.6-177.5173.9-170.60109.8D144K142-D144 PolarHBondContact O-N 3.05Å
143C84.3Confident88.7Confident48 Ų4893.9 Ų93.932%0.32447%0.465SS..  trans-69.9113.8164.1-175.40000108.8R136R136-C143 PolarHBondContact NH1-SG 3.48Å
144D87.2Confident88.6Confident129 Ų12996.2 Ų96.269%0.6947%0.473SS*.  trans-104-1.9177.359.2-19.9000112.9K142K142-D144 PolarHBondContact O-N 3.05Å
145F85.2Confident88.5Confident83 Ų8398.1 Ų98.136%0.36448%0.48SS..  trans-69.3138.8171.8-63.7-35.9000111.6R136 E149 E150 V153R136-F145 VanDerWaalsContact NH2-CE2 3.32Å; F145-E149 HydrophobicContact CB-CB 3.99Å; F145-E149 HydrophobicContact CD1-CB 4.23Å; F145-E149 HydrophobicContact CG-CB 4.28Å; F145-E150 HydrophobicContact CB-CB 4.27Å; F145-V153 HydrophobicContact CE2-CG2 4.39Å
146T89Confident88.4Confident61 Ų61101.9 Ų101.937%0.37450%0.497SS..  trans-65.1156.9160.860.50000110.1Q148 E149 E150T146-Q148 PolarHBondContact O-N 3.37Å; T146-Q148 VanDerWaalsContact O-N 3.14Å; T146-E149 WeakPolarHBondContact CB-OE2 3.47Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.49Å; T146-E149 PolarHBondContact N-OE2 3.17Å; T146-E149 PolarHBondContact O-N 2.8Å; T146-E149 WeakPolarHBondContact OG1-CB 3.25Å; T146-E149 VanDerWaalsContact OG1-CD 3.23Å; T146-E149 VanDerWaalsContact OG1-CG 3.25Å; T146-E149 WeakPolarHBondContact OG1-CG 3.43Å; T146-E149 PolarHBondContact OG1-N 2.81Å; T146-E149 PolarHBondContact OG1-OE2 3.36Å; T146-E150 PolarHBondContact O-N 2.93Å
147P88.9Confident88.1Confident90 Ų90103.1 Ų103.158%0.58451%0.507SS*.Hα-helixtrans-54.5-34.2175.8-27.235.6000113.3E151P147-E151 WeakPolarHBondContact O-CB 3.16Å; P147-E151 WeakPolarHBondContact O-CG 3.48Å; P147-E151 PolarHBondContact O-N 3.47Å
148Q89.9Confident87.8Confident132 Ų13299.7 Ų99.762%0.61749%0.493SS*.Hα-helixtrans-68.8-41.6176.8-63.682.94.200112.5T146 Q152T146-Q148 PolarHBondContact O-N 3.37Å; T146-Q148 VanDerWaalsContact O-N 3.14Å; Q148-Q152 WeakPolarHBondContact O-CB 3.26Å; Q148-Q152 PolarHBondContact O-N 3.24Å
149E90.2Very high87.6Confident94 Ų94106 Ų10644%0.43951%0.513SS..Hα-helixtrans-67.1-38.9175.7-73.1162.3148.700111.1F145 T146 Q152 V153F145-E149 HydrophobicContact CB-CB 3.99Å; F145-E149 HydrophobicContact CD1-CB 4.23Å; F145-E149 HydrophobicContact CG-CB 4.28Å; T146-E149 WeakPolarHBondContact CB-OE2 3.47Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.49Å; T146-E149 PolarHBondContact N-OE2 3.17Å; T146-E149 PolarHBondContact O-N 2.8Å; T146-E149 WeakPolarHBondContact OG1-CB 3.25Å; T146-E149 VanDerWaalsContact OG1-CD 3.23Å; T146-E149 VanDerWaalsContact OG1-CG 3.25Å; T146-E149 WeakPolarHBondContact OG1-CG 3.43Å; T146-E149 PolarHBondContact OG1-N 2.81Å; T146-E149 PolarHBondContact OG1-OE2 3.36Å; E149-Q152 PolarHBondContact O-N 3.45Å; E149-V153 WeakPolarHBondContact O-CB 3.33Å; E149-V153 VanDerWaalsContact O-CG2 3.24Å; E149-V153 WeakPolarHBondContact O-CG2 3.37Å; E149-V153 PolarHBondContact O-N 2.99Å
150E85.7Confident86.9Confident73 Ų73107.8 Ų107.834%0.34153%0.529SS..Hα-helixtrans-66.4-42.3176.9-171.4163.3-124.600111.9R136 F145 T146 K154R136-E150 IonicContact NH1-OE1 3.49Å; R136-E150 PolarHBondContact NH1-OE1 3.41Å; F145-E150 HydrophobicContact CB-CB 4.27Å; T146-E150 PolarHBondContact O-N 2.93Å; E150-K154 VanDerWaalsContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 PolarHBondContact O-N 3.5Å
151E87.6Confident86.1Confident147 Ų147107.6 Ų107.669%0.68752%0.523SS*.Hα-helixtrans-61.9-42171.9-79.5-178.7-175.200112.1P147 K154 K155P147-E151 WeakPolarHBondContact O-CB 3.16Å; P147-E151 WeakPolarHBondContact O-CG 3.48Å; P147-E151 PolarHBondContact O-N 3.47Å; E151-K154 PolarHBondContact O-N 2.93Å; E151-K155 WeakPolarHBondContact O-CB 3.4Å; E151-K155 PolarHBondContact O-N 3.15Å
152Q89.9Confident85Confident96 Ų96110.6 Ų110.645%0.44954%0.535SS..Hα-helixtrans-64.6-47.8177.9-177.764.622.200111.5Q148 E149 K154 K155 E156Q148-Q152 WeakPolarHBondContact O-CB 3.26Å; Q148-Q152 PolarHBondContact O-N 3.24Å; E149-Q152 PolarHBondContact O-N 3.45Å; Q152-K154 VanDerWaalsContact C-N 3.29Å; Q152-K154 PolarHBondContact O-N 2.62Å; Q152-K155 PolarHBondContact O-N 3.31Å; Q152-E156 PolarHBondContact NE2-OE1 3.47Å; Q152-E156 WeakPolarHBondContact O-CG 3.35Å; Q152-E156 PolarHBondContact O-N 3.06Å
153V87.8Confident83.6Confident52 Ų52115.1 Ų115.132%0.31556%0.555SS.*Hα-helixtrans-62-38.6176.9169.70000110.8F145 E149 E156 N157F145-V153 HydrophobicContact CE2-CG2 4.39Å; E149-V153 WeakPolarHBondContact O-CB 3.33Å; E149-V153 VanDerWaalsContact O-CG2 3.24Å; E149-V153 WeakPolarHBondContact O-CG2 3.37Å; E149-V153 PolarHBondContact O-N 2.99Å; V153-E156 PolarHBondContact O-N 3.11Å; V153-N157 WeakPolarHBondContact O-CB 3.25Å; V153-N157 PolarHBondContact O-N 2.88Å; V153-N157 VanDerWaalsContact O-N 3.08Å; V153-N157 PolarHBondContact O-ND2 3.34Å
154K86.2Confident83.6Confident156 Ų156118.5 Ų118.568%0.67857%0.566SS**Hα-helixtrans-63.7-45.6175.8-172.1173.2-176.5173.70111.2E150 E151 Q152 N157 E158E150-K154 VanDerWaalsContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 PolarHBondContact O-N 3.5Å; E151-K154 PolarHBondContact O-N 2.93Å; Q152-K154 VanDerWaalsContact C-N 3.29Å; Q152-K154 PolarHBondContact O-N 2.62Å; K154-N157 CarbonylContact O-C 3.53Å; K154-N157 PolarHBondContact O-N 3.07Å; K154-E158 WeakPolarHBondContact O-CG 3.45Å; K154-E158 PolarHBondContact O-N 3.15Å; K154-E158 VanDerWaalsContact O-N 3.1Å
155K88.5Confident83.4Confident138 Ų138117.9 Ų117.960%0.656%0.56SS**Hα-helixtrans-62.2-41.2177-170.2179.2179.7-1780112.5E151 Q152 N157 E158E151-K155 WeakPolarHBondContact O-CB 3.4Å; E151-K155 PolarHBondContact O-N 3.15Å; Q152-K155 PolarHBondContact O-N 3.31Å; K155-N157 VanDerWaalsContact C-N 3.28Å; K155-N157 PolarHBondContact O-N 3.08Å; K155-E158 WeakPolarHBondContact O-CG 3.32Å
156E89.8Confident83.3Confident117 Ų117119.9 Ų119.955%0.54757%0.571SS.*Hα-helixtrans-68.2-27.7178-74.3176.3-173.300113Q152 V153 W159Q152-E156 PolarHBondContact NE2-OE1 3.47Å; Q152-E156 WeakPolarHBondContact O-CG 3.35Å; Q152-E156 PolarHBondContact O-N 3.06Å; V153-E156 PolarHBondContact O-N 3.11Å; E156-W159 VanDerWaalsContact O-CD1 3.27Å; E156-W159 PolarHBondContact O-NE1 3.33Å
157N85.2Confident83Confident70 Ų70123.4 Ų123.437%0.37458%0.582SS.*THydrogen-bonded Turntrans-106.217.2-178.6-64.1-61.4000113.7V153 K154 K155 W159 C160V153-N157 WeakPolarHBondContact O-CB 3.25Å; V153-N157 PolarHBondContact O-N 2.88Å; V153-N157 VanDerWaalsContact O-N 3.08Å; V153-N157 PolarHBondContact O-ND2 3.34Å; K154-N157 CarbonylContact O-C 3.53Å; K154-N157 PolarHBondContact O-N 3.07Å; K155-N157 VanDerWaalsContact C-N 3.28Å; K155-N157 PolarHBondContact O-N 3.08Å; N157-W159 PolarHBondContact O-N 2.91Å; N157-C160 WeakPolarHBondContact O-CB 3.43Å; N157-C160 PolarHBondContact O-N 3.47Å
158E83.9Confident82.6Confident110 Ų110125.4 Ų125.451%0.51458%0.582SS.*G310 helixtrans-55-34.1175.9-77.3175.8172.200111.9K154 K155 C160 E161 E162K154-E158 WeakPolarHBondContact O-CG 3.45Å; K154-E158 PolarHBondContact O-N 3.15Å; K154-E158 VanDerWaalsContact O-N 3.1Å; K155-E158 WeakPolarHBondContact O-CG 3.32Å; E158-C160 PolarHBondContact O-N 3.4Å; E158-C160 VanDerWaalsContact O-N 3.15Å; E158-E161 PolarHBondContact O-N 3.1Å; E158-E162 PolarHBondContact O-N 3.42Å
159W85.1Confident82.1Confident171 Ų171125 Ų12565%0.64858%0.58SS**G310 helixtrans-61.6-20.4177.570.6-88000114.4E156 N157E156-W159 VanDerWaalsContact O-CD1 3.27Å; E156-W159 PolarHBondContact O-NE1 3.33Å; N157-W159 PolarHBondContact O-N 2.91Å
160C75.7Confident81.5Confident72 Ų72127.2 Ų127.249%0.48659%0.59SS.*G310 helixtrans-77-24.2174.7-69.50000112.5N157 E158N157-C160 WeakPolarHBondContact O-CB 3.43Å; N157-C160 PolarHBondContact O-N 3.47Å; E158-C160 PolarHBondContact O-N 3.4Å; E158-C160 VanDerWaalsContact O-N 3.15Å
161E72.3Confident81.2Confident151 Ų151131.4 Ų131.471%0.70661%0.609SS**THydrogen-bonded Turntrans-92.1-20.8179.9-64.6-68149.200112.1E158 K163E158-E161 PolarHBondContact O-N 3.1Å; E161-K163 PolarHBondContact O-N 3.49Å
162E67.1Low80.7Confident157 Ų157130.1 Ų130.173%0.73460%0.602SS**  trans-70.492.4171.3-67.1-174.9170.100109.9E158E158-E162 PolarHBondContact O-N 3.42Å
163K56.9Low79.9Confident271 Ų271133.2 Ų133.2100%1.17862%0.616SS**  trans-830172.6-79.3-174179.1174.40113.3E161E161-K163 PolarHBondContact O-N 3.49Å

Retrieved 163 of 163 residues in 48.3 ms (Link to these results)

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