A0A077ZC53_TRITR Loading...

Sepiapterin reductase

AlphaFold DB , UniProt , Accession A0A077ZC53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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
1M47Very low82.3Confident150 Ų15063 Ų6374%0.73929%0.291SS*.  0143.20-133178-113.400108.3R3 L32 A250M1-R3 PolarHBondContact O-N 3.19Å; M1-L32 HydrophobicContact CE-CD2 4.47Å; M1-L32 HydrophobicContact SD-CD1 4.16Å; M1-L32 HydrophobicContact SD-CD2 3.8Å; M1-A250 HydrophobicContact CG-CB 4.18Å; M1-A250 HydrophobicContact SD-CB 4.19Å
2N46.9Very low83.7Confident84 Ų8457.8 Ų57.845%0.44927%0.267SS..  trans-57.4122.4-176.3-159.6-7.6000110.3R4N2-R4 PolarHBondContact O-N 3.39Å
3R57.6Low84.8Confident221 Ų22153.5 Ų53.583%0.83425%0.247SC*.THydrogen-bonded Turntrans-72.112.5-178.5-76.7-170.4178-175.10.1113.8M1 W6M1-R3 PolarHBondContact O-N 3.19Å; R3-W6 CarbonylContact C-O 3.49Å; R3-W6 WeakPolarHBondContact CA-O 3.47Å
4R84Confident85.8Confident141 Ų14149.7 Ų49.753%0.53223%0.23SC..THydrogen-bonded Turntrans-67.7-41.4-178.3-75.8-176.2179.7-176.4-1.9112.4N2 N252N2-R4 PolarHBondContact O-N 3.39Å; R4-N252 HydrophobicContact CB-CB 3.77Å; R4-N252 PolarHBondContact O-ND2 2.8Å
5F94.8Very high86.6Confident0 Ų046.7 Ų46.70%022%0.216CC..THydrogen-bonded Turntrans-109.8-47.7179.7-167.3-84.2000112.8R8 L100 L102 V155 L249 N252 I254F5-R8 PolarHBondContact O-NE 3.31Å; F5-R8 PolarHBondContact O-NH2 3.02Å; F5-L100 HydrophobicContact CD1-CD2 4.22Å; F5-L100 HydrophobicContact CE1-CD2 3.62Å; F5-L100 HydrophobicContact CE2-CD1 4.37Å; F5-L100 HydrophobicContact CE2-CD2 4.39Å; F5-L100 HydrophobicContact CZ-CD1 4.21Å; F5-L100 HydrophobicContact CZ-CD2 3.72Å; F5-L102 HydrophobicContact CE1-CD2 4.42Å; F5-V155 HydrophobicContact CE2-CG2 4.08Å; F5-V155 HydrophobicContact CZ-CG2 4.45Å; F5-L249 WeakPolarHBondContact CB-O 3.24Å; F5-L249 HydrophobicContact CD1-CB 3.98Å; F5-L249 WeakPolarHBondContact CD2-O 3.18Å; F5-L249 HydrophobicContact CE1-CB 4Å; F5-L249 HydrophobicContact CE1-CD1 3.96Å; F5-L249 HydrophobicContact CE1-CG 4.41Å; F5-L249 HydrophobicContact CE2-CD2 4.31Å; F5-L249 HydrophobicContact CG-CB 4.31Å; F5-L249 WeakPolarHBondContact CG-O 3.39Å; F5-L249 HydrophobicContact CZ-CB 4.34Å; F5-L249 HydrophobicContact CZ-CD1 4.17Å; F5-L249 HydrophobicContact CZ-CD2 4.1Å; F5-L249 HydrophobicContact CZ-CG 4.45Å; F5-N252 HydrophobicContact CB-CB 4.08Å; F5-N252 HydrophobicContact CD2-CB 4.39Å; F5-N252 WeakPolarHBondContact CD2-OD1 3.45Å; F5-I254 HydrophobicContact CE2-CD1 4.03Å
6W95.2Very high87.1Confident7 Ų745 Ų453%0.02722%0.215CC..THydrogen-bonded Turntrans-86.5160.3-179.5-58.6124.9000111.6R3 R8 M29 L32 L33 L246 L249R3-W6 CarbonylContact C-O 3.49Å; R3-W6 WeakPolarHBondContact CA-O 3.47Å; W6-R8 VanDerWaalsContact C-N 3.3Å; W6-M29 HydrophobicContact CH2-CG 4.09Å; W6-M29 HydrophobicContact CZ3-CG 4.32Å; W6-L32 HydrophobicContact CB-CB 4.15Å; W6-L32 WeakPolarHBondContact CB-O 3.47Å; W6-L32 HydrophobicContact CD2-CB 3.95Å; W6-L32 HydrophobicContact CD2-CD1 4.27Å; W6-L32 HydrophobicContact CE3-CB 4.09Å; W6-L32 HydrophobicContact CG-CB 3.99Å; W6-L32 HydrophobicContact CG-CD1 4.37Å; W6-L33 HydrophobicContact CE3-CD2 4.05Å; W6-L33 HydrophobicContact CZ3-CD2 3.89Å; W6-L246 HydrophobicContact CH2-CD2 3.94Å; W6-L246 HydrophobicContact CZ2-CB 4.35Å; W6-L246 HydrophobicContact CZ2-CD2 3.61Å; W6-L246 PolarHBondContact NE1-O 3.23Å; W6-L249 HydrophobicContact CH2-CB 4.25Å; W6-L249 HydrophobicContact CH2-CD1 3.58Å; W6-L249 HydrophobicContact CZ2-CB 3.51Å; W6-L249 HydrophobicContact CZ2-CD1 3.61Å; W6-L249 HydrophobicContact CZ2-CG 4.19Å
7G94.2Very high87.4Confident40 Ų4042.4 Ų42.441%0.41220%0.203SC..THydrogen-bonded Turntrans84.4-0.2-177.100000114.9L32 G34G7-L32 PolarHBondContact N-O 2.99Å; G7-G34 VanDerWaalsContact O-CA 3.26Å; G7-G34 WeakPolarHBondContact O-CA 3.46Å
8R94.9Very high87.4Confident23 Ų2340.8 Ų40.89%0.08720%0.197CC..SBendtrans-84.5145.6177.1-66.5-171.7-65.5-176-7.1111.9F5 W6 S10 G34 S37 E99 E153F5-R8 PolarHBondContact O-NE 3.31Å; F5-R8 PolarHBondContact O-NH2 3.02Å; W6-R8 VanDerWaalsContact C-N 3.3Å; R8-S10 PolarHBondContact O-N 3.39Å; R8-S10 VanDerWaalsContact O-N 3.15Å; R8-S10 PolarHBondContact O-OG 2.99Å; R8-G34 WeakPolarHBondContact O-CA 3.19Å; R8-G34 PolarHBondContact O-N 2.94Å; R8-S37 PolarHBondContact O-OG 3.38Å; R8-E99 WeakPolarHBondContact CA-OE2 3.4Å; R8-E99 HydrophobicContact CB-CB 3.93Å; R8-E99 HydrophobicContact CG-CB 4.35Å; R8-E153 IonicContact CZ-OE2 2.87Å; R8-E153 IonicContact NH1-OE2 2.64Å; R8-E153 PolarHBondContact NH1-OE2 3.02Å; R8-E153 IonicContact NH2-OE2 3.8Å; R8-E153 PolarHBondContact NH2-OE2 2.7Å
9K95.7Very high87.5Confident27 Ų2743.3 Ų43.312%0.11721%0.208CC..  trans-64.7112.3169.1-177.8176.5-176.7166.30109Q36 E96 F98 E99 L100K9-Q36 HydrophobicContact CD-CB 4.24Å; K9-Q36 HydrophobicContact CG-CB 4.41Å; K9-E96 WeakPolarHBondContact CE-OE2 3.26Å; K9-E96 IonicContact NZ-OE1 2.79Å; K9-E96 PolarHBondContact NZ-OE1 3.31Å; K9-E96 IonicContact NZ-OE2 2.59Å; K9-E96 PolarHBondContact NZ-OE2 2.79Å; K9-F98 HydrophobicContact CG-CD1 4.04Å; K9-F98 HydrophobicContact CG-CE1 4.38Å; K9-E99 PolarHBondContact N-OE2 3.36Å; K9-E99 PolarHBondContact O-N 3.29Å; K9-L100 PolarHBondContact O-N 2.86Å
10S97.3Very high87.6Confident0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-128.1148.9-167-49.50000113.1R8 S37 V38 L100R8-S10 PolarHBondContact O-N 3.39Å; R8-S10 VanDerWaalsContact O-N 3.15Å; R8-S10 PolarHBondContact O-OG 2.99Å; S10-S37 PolarHBondContact N-OG 2.77Å; S10-S37 CarbonylContact O-C 3.42Å; S10-S37 WeakPolarHBondContact O-CA 3.44Å; S10-S37 WeakPolarHBondContact O-CB 3.33Å; S10-V38 PolarHBondContact O-N 2.78Å; S10-L100 CarbonylContact C-O 3.6Å; S10-L100 WeakPolarHBondContact CA-O 3.36Å; S10-L100 WeakPolarHBondContact CB-O 3.25Å
11I98.2Very high88Confident0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-109.2115.4163.7-179.465000107.5V38 I40 F98 L100 G101 L102 F144 F148I11-V38 HydrophobicContact CD1-CB 3.52Å; I11-V38 HydrophobicContact CD1-CG1 3.62Å; I11-V38 HydrophobicContact CD1-CG2 4.34Å; I11-I40 HydrophobicContact CD1-CD1 3.83Å; I11-I40 HydrophobicContact CD1-CG1 4.33Å; I11-F98 HydrophobicContact CB-CD1 3.87Å; I11-F98 HydrophobicContact CB-CD2 3.81Å; I11-F98 HydrophobicContact CB-CE1 3.86Å; I11-F98 HydrophobicContact CB-CE2 3.81Å; I11-F98 HydrophobicContact CB-CG 3.83Å; I11-F98 HydrophobicContact CB-CZ 3.82Å; I11-F98 HydrophobicContact CD1-CZ 4.41Å; I11-F98 HydrophobicContact CG1-CE2 4.43Å; I11-F98 HydrophobicContact CG1-CZ 4.48Å; I11-F98 HydrophobicContact CG2-CB 4.01Å; I11-F98 HydrophobicContact CG2-CD1 4.17Å; I11-F98 HydrophobicContact CG2-CD2 3.58Å; I11-F98 HydrophobicContact CG2-CE2 4.05Å; I11-F98 HydrophobicContact CG2-CG 3.64Å; I11-L100 PolarHBondContact N-O 3.49Å; I11-G101 WeakPolarHBondContact O-CA 3.39Å; I11-L102 PolarHBondContact O-N 2.91Å; I11-F144 HydrophobicContact CB-CZ 4.39Å; I11-F144 HydrophobicContact CG1-CE2 3.96Å; I11-F144 HydrophobicContact CG1-CZ 3.74Å; I11-F144 HydrophobicContact CG2-CZ 3.99Å; I11-F148 HydrophobicContact CD1-CD2 4.44Å; I11-F148 HydrophobicContact CD1-CE1 4.28Å; I11-F148 HydrophobicContact CD1-CE2 4.15Å; I11-F148 HydrophobicContact CD1-CZ 4.08Å; I11-F148 HydrophobicContact CG1-CB 4.49Å; I11-F148 HydrophobicContact CG1-CD1 4.15Å; I11-F148 HydrophobicContact CG1-CD2 3.88Å; I11-F148 HydrophobicContact CG1-CE1 4.37Å; I11-F148 HydrophobicContact CG1-CE2 4.09Å; I11-F148 HydrophobicContact CG1-CG 3.9Å; I11-F148 HydrophobicContact CG1-CZ 4.34Å; I11-F148 HydrophobicContact CG2-CB 4.28Å
12C98.4Very high90.2Very high1 Ų135.5 Ų35.51%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-122129-172.7-61.60000110.5M29 L33 V38 L39 I40 L102C12-M29 HydrophobicContact CB-CE 4.2Å; C12-L33 HydrophobicContact CB-CD1 4.43Å; C12-V38 PolarHBondContact N-O 3.41Å; C12-L39 HydrophobicContact CB-CD1 3.76Å; C12-I40 WeakPolarHBondContact O-CB 3.46Å; C12-I40 PolarHBondContact O-N 3.02Å; C12-L102 CarbonylContact C-O 3.52Å; C12-L102 VanDerWaalsContact CA-O 3.24Å; C12-L102 WeakPolarHBondContact CA-O 3.35Å; C12-L102 HydrophobicContact CB-CB 4.46Å
13L98.6Very high92.5Very high1 Ų133.9 Ų33.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-117.1125.8170.5-175.8151.3000110T15 I40 T42 W70 L84 L102 I103 V104 T140 F144L13-T15 HydrophobicContact CD2-CG2 3.64Å; L13-I40 CarbonylContact C-O 3.55Å; L13-I40 WeakPolarHBondContact CA-O 3.28Å; L13-I40 HydrophobicContact CB-CB 4.32Å; L13-I40 HydrophobicContact CD1-CG2 4.24Å; L13-I40 HydrophobicContact CG-CB 4.37Å; L13-I40 HydrophobicContact CG-CG2 4.32Å; L13-T42 HydrophobicContact CD2-CG2 4.36Å; L13-T42 HydrophobicContact CG-CG2 4.31Å; L13-W70 HydrophobicContact CD1-CH2 3.87Å; L13-W70 HydrophobicContact CD1-CZ3 4.09Å; L13-L84 HydrophobicContact CD1-CD2 3.8Å; L13-L102 PolarHBondContact N-O 3.48Å; L13-I103 HydrophobicContact CD2-CG2 4.15Å; L13-I103 CarbonylContact O-C 3.35Å; L13-I103 WeakPolarHBondContact O-CA 3.45Å; L13-V104 PolarHBondContact O-N 3.45Å; L13-T140 HydrophobicContact CD1-CG2 4.43Å; L13-T140 HydrophobicContact CD2-CG2 3.75Å; L13-F144 HydrophobicContact CB-CD2 3.83Å; L13-F144 HydrophobicContact CB-CE2 3.64Å; L13-F144 HydrophobicContact CD1-CD2 3.86Å; L13-F144 HydrophobicContact CD1-CE2 4.4Å; L13-F144 HydrophobicContact CG-CD2 4.48Å
14M98.2Very high94.3Very high1 Ų125.7 Ų25.71%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-121.1120.2175.7-176.5-178.8-63.200110.7A17 A22 M25 A26 M29 I40 L41 T42 V104M14-A17 HydrophobicContact CG-CB 4.21Å; M14-A17 HydrophobicContact SD-CB 4.09Å; M14-A22 HydrophobicContact SD-CB 3.81Å; M14-M25 HydrophobicContact CE-CB 3.89Å; M14-M25 HydrophobicContact CE-CE 4.34Å; M14-M25 HydrophobicContact SD-CB 4.48Å; M14-M25 HydrophobicContact SD-CE 4.26Å; M14-A26 HydrophobicContact CE-CB 4.44Å; M14-A26 HydrophobicContact SD-CB 4.17Å; M14-M29 HydrophobicContact CE-CE 4.41Å; M14-M29 HydrophobicContact CE-SD 3.39Å; M14-M29 WeakPolarHBondContact CE-SD 3.39Å; M14-I40 PolarHBondContact N-O 3.23Å; M14-L41 HydrophobicContact CB-CD2 4.1Å; M14-T42 PolarHBondContact O-N 2.63Å; M14-V104 WeakPolarHBondContact CA-O 3.47Å; M14-V104 HydrophobicContact CB-CB 4.27Å; M14-V104 HydrophobicContact CE-CB 4.36Å; M14-V104 HydrophobicContact CE-CG1 4.36Å; M14-V104 HydrophobicContact CE-CG2 4.42Å; M14-V104 HydrophobicContact CG-CB 4.06Å; M14-V104 HydrophobicContact CG-CG1 4.24Å
15T97.4Very high94.9Very high4 Ų419 Ų193%0.02511%0.105CC..EExtended strand (participates in β ladder)trans-84.9138.7176.866.30000111.8L13 T42 V104 H105 N106 A107 T140L13-T15 HydrophobicContact CD2-CG2 3.64Å; T15-T42 WeakPolarHBondContact CA-OG1 3.47Å; T15-V104 PolarHBondContact N-O 3.48Å; T15-H105 WeakPolarHBondContact OG1-CA 3.33Å; T15-N106 CarbonylContact O-C 3.59Å; T15-N106 VanDerWaalsContact O-CB 3.25Å; T15-N106 WeakPolarHBondContact O-CB 3.39Å; T15-N106 PolarHBondContact O-ND2 3.11Å; T15-N106 PolarHBondContact OG1-N 2.61Å; T15-N106 VanDerWaalsContact OG1-N 3.13Å; T15-A107 PolarHBondContact O-N 3.26Å; T15-A107 WeakPolarHBondContact OG1-CB 2.96Å; T15-A107 PolarHBondContact OG1-N 2.88Å; T15-T140 HydrophobicContact CG2-CG2 4.4Å
16G94.4Very high95Very high20 Ų2019 Ų1921%0.20611%0.105CC..THydrogen-bonded Turntrans68.142.2176.500000113.4S18 A22 T42 N106G16-S18 VanDerWaalsContact C-N 3.32Å; G16-S18 PolarHBondContact O-N 2.94Å; G16-A22 WeakPolarHBondContact O-CB 3.42Å; G16-T42 WeakPolarHBondContact CA-O 3.34Å; G16-T42 PolarHBondContact N-O 3.47Å; G16-N106 PolarHBondContact O-ND2 2.84Å
17A93.3Very high95Very high0 Ų020.1 Ų20.10%011%0.111CC..THydrogen-bonded Turntrans-77.5-8.3-170.100000115.6M14 Q19 R23 L41 T42 L49M14-A17 HydrophobicContact CG-CB 4.21Å; M14-A17 HydrophobicContact SD-CB 4.09Å; A17-Q19 PolarHBondContact O-N 3.4Å; A17-R23 WeakPolarHBondContact O-CA 3.33Å; A17-R23 PolarHBondContact O-N 2.97Å; A17-L41 HydrophobicContact CB-CB 3.94Å; A17-L41 HydrophobicContact CB-CD2 3.85Å; A17-L41 HydrophobicContact CB-CG 4.32Å; A17-T42 PolarHBondContact N-O 3.42Å; A17-L49 HydrophobicContact CB-CD2 4.02Å
18S87.4Confident95Very high15 Ų1521.2 Ų21.211%0.10511%0.105CC..THydrogen-bonded Turntrans-75.6-18.4-163.755.60000116G16G16-S18 VanDerWaalsContact C-N 3.32Å; G16-S18 PolarHBondContact O-N 2.94Å
19Q88.4Confident95Very high87 Ų8720.2 Ų20.241%0.40710%0.101SC..SBendtrans-140.3158.3-167.9-72.4171.587.200113.3A17 L21 A22 R23A17-Q19 PolarHBondContact O-N 3.4Å; Q19-L21 PolarHBondContact O-N 2.59Å; Q19-A22 PolarHBondContact O-N 3.02Å; Q19-R23 PolarHBondContact O-N 3.14Å
20N90.9Very high94.9Very high67 Ų6719.3 Ų19.336%0.35810%0.099SC..Hα-helixtrans51.1-123.1167.6-56.8-35.2000112.8A22 R23 H24 T207N20-A22 PolarHBondContact O-N 3.15Å; N20-R23 PolarHBondContact O-N 3.03Å; N20-H24 PolarHBondContact O-N 3.31Å; N20-H24 PolarHBondContact O-ND1 2.9Å; N20-T207 HydrophobicContact CB-CG2 4Å
21L94.3Very high94.6Very high6 Ų623.8 Ų23.83%0.03113%0.131CC..Hα-helixtrans-56.3-50.3-176.7178.264.4000112.2Q19 R23 H24 M25 M159 P202 L205 A238 V241 A242Q19-L21 PolarHBondContact O-N 2.59Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 2.79Å; L21-H24 PolarHBondContact O-N 2.73Å; L21-M25 HydrophobicContact CD1-CG 4.22Å; L21-M25 HydrophobicContact CD1-SD 4.41Å; L21-M25 HydrophobicContact CD2-CE 4.27Å; L21-M25 HydrophobicContact CD2-SD 4.37Å; L21-M25 HydrophobicContact CG-CE 3.97Å; L21-M25 HydrophobicContact CG-CG 4.23Å; L21-M25 HydrophobicContact CG-SD 4.05Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.27Å; L21-M159 HydrophobicContact CD2-SD 4.22Å; L21-P202 HydrophobicContact CD2-CB 3.69Å; L21-P202 HydrophobicContact CD2-CG 4.32Å; L21-L205 HydrophobicContact CB-CD1 3.78Å; L21-L205 HydrophobicContact CD2-CD1 4.05Å; L21-L205 HydrophobicContact CG-CD1 4.32Å; L21-A238 WeakPolarHBondContact CD1-O 3.24Å; L21-V241 HydrophobicContact CD1-CB 3.93Å; L21-V241 HydrophobicContact CD1-CG1 3.7Å; L21-V241 HydrophobicContact CD2-CG1 4.37Å; L21-A242 HydrophobicContact CD1-CB 3.96Å
22A94.7Very high94.4Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-69.3-28.2-173.800000113.8M14 G16 Q19 N20 M25 A26 N106M14-A22 HydrophobicContact SD-CB 3.81Å; G16-A22 WeakPolarHBondContact O-CB 3.42Å; Q19-A22 PolarHBondContact O-N 3.02Å; N20-A22 PolarHBondContact O-N 3.15Å; A22-M25 VanDerWaalsContact CA-CE 3.47Å; A22-M25 HydrophobicContact CB-CE 3.77Å; A22-M25 PolarHBondContact O-N 3.07Å; A22-A26 VanDerWaalsContact O-CB 3.22Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.09Å; A22-N106 HydrophobicContact CB-CB 4.24Å; A22-N106 WeakPolarHBondContact CB-ND2 3.24Å
23R94.7Very high94.3Very high50 Ų5026 Ų2619%0.18914%0.142CC..Hα-helixtrans-59.8-51.5170.5-170.1-172.9-178.887.10.6111.1A17 Q19 N20 L21 A26 Q27 L52 E55A17-R23 WeakPolarHBondContact O-CA 3.33Å; A17-R23 PolarHBondContact O-N 2.97Å; Q19-R23 PolarHBondContact O-N 3.14Å; N20-R23 PolarHBondContact O-N 3.03Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 2.79Å; R23-A26 PolarHBondContact O-N 3.3Å; R23-Q27 WeakPolarHBondContact O-CG 3.39Å; R23-Q27 PolarHBondContact O-N 3.31Å; R23-L52 HydrophobicContact CG-CD1 3.71Å; R23-L52 HydrophobicContact CG-CD2 4.28Å; R23-E55 IonicContact CZ-OE1 3.76Å; R23-E55 IonicContact CZ-OE2 2.71Å; R23-E55 IonicContact NE-OE2 3.66Å; R23-E55 IonicContact NH2-OE1 3.6Å; R23-E55 PolarHBondContact NH2-OE1 2.87Å; R23-E55 IonicContact NH2-OE2 3.17Å; R23-E55 PolarHBondContact NH2-OE2 3.04Å
24H95.5Very high94.1Very high50 Ų5026 Ų2623%0.23114%0.142CC..Hα-helixtrans-63.9-43.3178.4-65.888.3000111.5N20 L21 A26 Q27 H28 A242N20-H24 PolarHBondContact O-N 3.31Å; N20-H24 PolarHBondContact O-ND1 2.9Å; L21-H24 PolarHBondContact O-N 2.73Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-A26 PolarHBondContact O-N 3.46Å; H24-Q27 PolarHBondContact O-N 3.43Å; H24-H28 PolarHBondContact O-CD2 3.1Å; H24-H28 PolarHBondContact O-N 2.95Å; H24-A242 HydrophobicContact CB-CB 3.57Å
25M97.1Very high93.8Very high0 Ų030.9 Ų30.90%017%0.174CC..Hα-helixtrans-56.7-48.7175.2-67.8-170.5-60.900111M14 L21 A22 H28 M29 V104 N106 M159 A242 F245M14-M25 HydrophobicContact CE-CB 3.89Å; M14-M25 HydrophobicContact CE-CE 4.34Å; M14-M25 HydrophobicContact SD-CB 4.48Å; M14-M25 HydrophobicContact SD-CE 4.26Å; L21-M25 HydrophobicContact CD1-CG 4.22Å; L21-M25 HydrophobicContact CD1-SD 4.41Å; L21-M25 HydrophobicContact CD2-CE 4.27Å; L21-M25 HydrophobicContact CD2-SD 4.37Å; L21-M25 HydrophobicContact CG-CE 3.97Å; L21-M25 HydrophobicContact CG-CG 4.23Å; L21-M25 HydrophobicContact CG-SD 4.05Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.27Å; A22-M25 VanDerWaalsContact CA-CE 3.47Å; A22-M25 HydrophobicContact CB-CE 3.77Å; A22-M25 PolarHBondContact O-N 3.07Å; M25-H28 PolarHBondContact O-N 2.86Å; M25-M29 WeakPolarHBondContact O-CB 3.44Å; M25-M29 WeakPolarHBondContact O-CG 3.14Å; M25-M29 PolarHBondContact O-N 3.49Å; M25-V104 HydrophobicContact CE-CG1 4.34Å; M25-N106 HydrophobicContact CE-CB 4.33Å; M25-M159 HydrophobicContact CE-CE 3.73Å; M25-M159 HydrophobicContact CE-SD 4.32Å; M25-M159 HydrophobicContact SD-CE 3.53Å; M25-M159 VanDerWaalsContact SD-CE 3.53Å; M25-M159 HydrophobicContact SD-SD 4.34Å; M25-A242 HydrophobicContact CG-CB 3.82Å; M25-F245 HydrophobicContact CB-CD1 4.45Å; M25-F245 HydrophobicContact CG-CD1 3.81Å; M25-F245 HydrophobicContact CG-CE1 4.28Å; M25-F245 HydrophobicContact SD-CB 4.46Å; M25-F245 HydrophobicContact SD-CD1 3.4Å; M25-F245 WeakPolarHBondContact SD-CD1 3.44Å; M25-F245 HydrophobicContact SD-CE1 3.65Å; M25-F245 HydrophobicContact SD-CG 3.89Å; M25-F245 HydrophobicContact SD-CZ 4.33Å
26A96.4Very high93.6Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-62.4-46.4-179.300000111.7M14 A22 R23 H24 H28 M29 A30 L41 L52 M56M14-A26 HydrophobicContact CE-CB 4.44Å; M14-A26 HydrophobicContact SD-CB 4.17Å; A22-A26 VanDerWaalsContact O-CB 3.22Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.09Å; R23-A26 PolarHBondContact O-N 3.3Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-A26 PolarHBondContact O-N 3.46Å; A26-H28 PolarHBondContact O-N 3.38Å; A26-M29 PolarHBondContact O-N 3.17Å; A26-A30 PolarHBondContact O-N 3.47Å; A26-L41 HydrophobicContact CB-CD1 4.43Å; A26-L41 HydrophobicContact CB-CD2 4.06Å; A26-L52 HydrophobicContact CB-CD2 4.2Å; A26-M56 HydrophobicContact CB-CE 3.54Å; A26-M56 VanDerWaalsContact O-CE 3.26Å; A26-M56 WeakPolarHBondContact O-CE 2.96Å
27Q94.7Very high93.8Very high30 Ų3034.6 Ų34.614%0.1419%0.186CC..Hα-helixtrans-56.9-47.6177.9-74.9172.1-46.200111.7R23 H24 A30 L52 E55R23-Q27 WeakPolarHBondContact O-CG 3.39Å; R23-Q27 PolarHBondContact O-N 3.31Å; H24-Q27 PolarHBondContact O-N 3.43Å; Q27-A30 WeakPolarHBondContact O-CB 3.36Å; Q27-A30 PolarHBondContact O-N 3.08Å; Q27-L52 HydrophobicContact CG-CD1 3.5Å; Q27-E55 PolarHBondContact NE2-OE2 3.45Å
28H93.6Very high94Very high64 Ų6434.6 Ų34.630%0.29619%0.186SC..Hα-helixtrans-71-39.3178.9-64.7-57.1000112.4H24 M25 A26 A30 S31 L32 L246H24-H28 PolarHBondContact O-CD2 3.1Å; H24-H28 PolarHBondContact O-N 2.95Å; M25-H28 PolarHBondContact O-N 2.86Å; A26-H28 PolarHBondContact O-N 3.38Å; H28-A30 PolarHBondContact O-N 2.89Å; H28-S31 PolarHBondContact O-N 3.18Å; H28-S31 PolarHBondContact O-OG 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.32Å; H28-L32 PolarHBondContact O-N 3.23Å; H28-L246 HydrophobicContact CB-CD1 3.18Å; H28-L246 HydrophobicContact CB-CG 4.48Å
29M95Very high94.5Very high1 Ų133.9 Ų33.91%0.00518%0.181CC..Hα-helixtrans-56.7-36.8174.3-76.3175.868.300111.6W6 C12 M14 M25 A26 S31 L32 L33 L39 L102 L246W6-M29 HydrophobicContact CH2-CG 4.09Å; W6-M29 HydrophobicContact CZ3-CG 4.32Å; C12-M29 HydrophobicContact CB-CE 4.2Å; M14-M29 HydrophobicContact CE-CE 4.41Å; M14-M29 HydrophobicContact CE-SD 3.39Å; M14-M29 WeakPolarHBondContact CE-SD 3.39Å; M25-M29 WeakPolarHBondContact O-CB 3.44Å; M25-M29 WeakPolarHBondContact O-CG 3.14Å; M25-M29 PolarHBondContact O-N 3.49Å; A26-M29 PolarHBondContact O-N 3.17Å; M29-S31 PolarHBondContact O-N 3Å; M29-S31 VanDerWaalsContact O-N 3.15Å; M29-L32 PolarHBondContact O-N 2.64Å; M29-L33 HydrophobicContact CB-CD1 4.36Å; M29-L33 HydrophobicContact CE-CD1 4.38Å; M29-L33 VanDerWaalsContact O-CG 3.3Å; M29-L33 WeakPolarHBondContact O-CG 3.34Å; M29-L33 PolarHBondContact O-N 3Å; M29-L39 HydrophobicContact CE-CD1 4.28Å; M29-L102 HydrophobicContact CE-CD2 3.7Å; M29-L246 HydrophobicContact CG-CD2 3.71Å
30A93.3Very high94.9Very high9 Ų929.7 Ų29.77%0.07416%0.161CC..Hα-helixtrans-55.8-31.6176.400000113.3A26 Q27 H28 M56 C61A26-A30 PolarHBondContact O-N 3.47Å; Q27-A30 WeakPolarHBondContact O-CB 3.36Å; Q27-A30 PolarHBondContact O-N 3.08Å; H28-A30 PolarHBondContact O-N 2.89Å; A30-M56 HydrophobicContact CB-CB 4.28Å; A30-M56 HydrophobicContact CB-CE 4.3Å; A30-M56 HydrophobicContact CB-CG 3.9Å; A30-M56 HydrophobicContact CB-SD 4.11Å; A30-C61 HydrophobicContact CB-CB 4.25Å
31S92.3Very high95.3Very high94 Ų9426.5 Ų26.566%0.65714%0.144SC*.Hα-helixtrans-91.1-15.3177.671.90000114.7H28 M29H28-S31 PolarHBondContact O-N 3.18Å; H28-S31 PolarHBondContact O-OG 3.48Å; M29-S31 PolarHBondContact O-N 3Å; M29-S31 VanDerWaalsContact O-N 3.15Å
32L94.5Very high95.4Very high32 Ų3226.3 Ų26.317%0.16814%0.143CC..Hα-helixtrans-104.3-26.5-172.6-67.3175.8000113.4M1 W6 G7 H28 M29 L246M1-L32 HydrophobicContact CE-CD2 4.47Å; M1-L32 HydrophobicContact SD-CD1 4.16Å; M1-L32 HydrophobicContact SD-CD2 3.8Å; W6-L32 HydrophobicContact CB-CB 4.15Å; W6-L32 WeakPolarHBondContact CB-O 3.47Å; W6-L32 HydrophobicContact CD2-CB 3.95Å; W6-L32 HydrophobicContact CD2-CD1 4.27Å; W6-L32 HydrophobicContact CE3-CB 4.09Å; W6-L32 HydrophobicContact CG-CB 3.99Å; W6-L32 HydrophobicContact CG-CD1 4.37Å; G7-L32 PolarHBondContact N-O 2.99Å; H28-L32 WeakPolarHBondContact O-CG 3.32Å; H28-L32 PolarHBondContact O-N 3.23Å; M29-L32 PolarHBondContact O-N 2.64Å; L32-L246 HydrophobicContact CD1-CB 4.21Å; L32-L246 HydrophobicContact CD1-CD1 4.31Å; L32-L246 HydrophobicContact CD1-CD2 4.11Å; L32-L246 HydrophobicContact CD1-CG 4.43Å
33L95.6Very high95.5Very high14 Ų1426.5 Ų26.57%0.07315%0.145CC..SBendtrans-69.2151.7178.1-65.6169.9000111.2W6 C12 M29 L39 L63W6-L33 HydrophobicContact CE3-CD2 4.05Å; W6-L33 HydrophobicContact CZ3-CD2 3.89Å; C12-L33 HydrophobicContact CB-CD1 4.43Å; M29-L33 HydrophobicContact CB-CD1 4.36Å; M29-L33 HydrophobicContact CE-CD1 4.38Å; M29-L33 VanDerWaalsContact O-CG 3.3Å; M29-L33 WeakPolarHBondContact O-CG 3.34Å; M29-L33 PolarHBondContact O-N 3Å; L33-L39 HydrophobicContact CD1-CD1 4.46Å; L33-L63 HydrophobicContact CB-CD1 3.74Å; L33-L63 HydrophobicContact CB-CD2 4.17Å; L33-L63 HydrophobicContact CD1-CD1 3.66Å; L33-L63 HydrophobicContact CG-CD1 4.24Å
34G94Very high95.4Very high1 Ų131.6 Ų31.61%0.0116%0.164CC..PPolyproline II helixtrans-70.6165.3-179.200000113.2G7 R8 S37 L63G7-G34 VanDerWaalsContact O-CA 3.26Å; G7-G34 WeakPolarHBondContact O-CA 3.46Å; R8-G34 WeakPolarHBondContact O-CA 3.19Å; R8-G34 PolarHBondContact O-N 2.94Å; G34-S37 PolarHBondContact N-OG 3.34Å; G34-S37 VanDerWaalsContact O-CB 3.25Å; G34-S37 WeakPolarHBondContact O-CB 3.3Å; G34-S37 PolarHBondContact O-N 3.31Å; G34-S37 PolarHBondContact O-OG 2.98Å; G34-L63 WeakPolarHBondContact O-CD2 3.45Å
35P92.7Very high95Very high104 Ų10433.3 Ų33.368%0.67517%0.172SC*.THydrogen-bonded Turntrans-51.5150.6172.7-24.534000112.3S37P35-S37 PolarHBondContact O-N 3.25Å
36Q93.4Very high94.2Very high102 Ų10235.1 Ų35.148%0.47719%0.187SC..THydrogen-bonded Turntrans62.15.3-179.4-51.4178.4-36.400115.4K9 R64K9-Q36 HydrophobicContact CD-CB 4.24Å; K9-Q36 HydrophobicContact CG-CB 4.41Å; Q36-R64 PolarHBondContact O-NH1 2.96Å
37S97Very high93.7Very high0 Ų042 Ų420%022%0.224CC..  trans-63.9153.9173.2-55.90000111.3R8 S10 G34 P35 R64R8-S37 PolarHBondContact O-OG 3.38Å; S10-S37 PolarHBondContact N-OG 2.77Å; S10-S37 CarbonylContact O-C 3.42Å; S10-S37 WeakPolarHBondContact O-CA 3.44Å; S10-S37 WeakPolarHBondContact O-CB 3.33Å; G34-S37 PolarHBondContact N-OG 3.34Å; G34-S37 VanDerWaalsContact O-CB 3.25Å; G34-S37 WeakPolarHBondContact O-CB 3.3Å; G34-S37 PolarHBondContact O-N 3.31Å; G34-S37 PolarHBondContact O-OG 2.98Å; P35-S37 PolarHBondContact O-N 3.25Å; S37-R64 PolarHBondContact O-N 2.98Å
38V97.9Very high93.3Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-117.3123.6178.3-178.90000108S10 I11 C12 I40 R64 I87 Y91 L93 F98S10-V38 PolarHBondContact O-N 2.78Å; I11-V38 HydrophobicContact CD1-CB 3.52Å; I11-V38 HydrophobicContact CD1-CG1 3.62Å; I11-V38 HydrophobicContact CD1-CG2 4.34Å; C12-V38 PolarHBondContact N-O 3.41Å; V38-I40 HydrophobicContact CG1-CG1 4.04Å; V38-R64 CarbonylContact C-O 3.53Å; V38-R64 WeakPolarHBondContact CA-O 3.14Å; V38-R64 HydrophobicContact CG2-CB 4.16Å; V38-I87 HydrophobicContact CG1-CG2 4.21Å; V38-Y91 HydrophobicContact CG1-CD2 3.92Å; V38-Y91 HydrophobicContact CG1-CE2 3.94Å; V38-Y91 HydrophobicContact CG2-CD2 4.24Å; V38-L93 HydrophobicContact CG2-CD1 3.91Å; V38-L93 HydrophobicContact CG2-CD2 4.11Å; V38-F98 HydrophobicContact CG2-CE1 4.34Å; V38-F98 HydrophobicContact CG2-CZ 4.26Å
39L97.9Very high93.3Very high0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-112.6108.5176.9-179.360.8000109.2C12 M29 L33 L41 M56 L63 R64 V65 H66C12-L39 HydrophobicContact CB-CD1 3.76Å; M29-L39 HydrophobicContact CE-CD1 4.28Å; L33-L39 HydrophobicContact CD1-CD1 4.46Å; L39-L41 HydrophobicContact CD1-CD2 3.88Å; L39-L41 HydrophobicContact CD2-CD2 4.08Å; L39-L41 HydrophobicContact CG-CD2 3.73Å; L39-L41 HydrophobicContact CG-CG 4.14Å; L39-M56 HydrophobicContact CD2-CE 4.17Å; L39-M56 HydrophobicContact CD2-SD 4.48Å; L39-L63 HydrophobicContact CB-CD1 4.5Å; L39-R64 PolarHBondContact N-O 2.86Å; L39-V65 HydrophobicContact CB-CG2 4.48Å; L39-V65 CarbonylContact O-C 3.58Å; L39-V65 WeakPolarHBondContact O-CA 3.3Å; L39-H66 PolarHBondContact O-N 3.12Å
40I98.2Very high93.2Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-95.8116.5178.2-52174.4000108I11 C12 L13 M14 V38 T42 H66 L68 L84 I87 F148I11-I40 HydrophobicContact CD1-CD1 3.83Å; I11-I40 HydrophobicContact CD1-CG1 4.33Å; C12-I40 WeakPolarHBondContact O-CB 3.46Å; C12-I40 PolarHBondContact O-N 3.02Å; L13-I40 CarbonylContact C-O 3.55Å; L13-I40 WeakPolarHBondContact CA-O 3.28Å; L13-I40 HydrophobicContact CB-CB 4.32Å; L13-I40 HydrophobicContact CD1-CG2 4.24Å; L13-I40 HydrophobicContact CG-CB 4.37Å; L13-I40 HydrophobicContact CG-CG2 4.32Å; M14-I40 PolarHBondContact N-O 3.23Å; V38-I40 HydrophobicContact CG1-CG1 4.04Å; I40-T42 HydrophobicContact CG2-CG2 4.48Å; I40-H66 WeakPolarHBondContact CA-O 3.47Å; I40-L68 HydrophobicContact CG2-CD1 3.67Å; I40-L68 HydrophobicContact CG2-CG 4.02Å; I40-L84 HydrophobicContact CD1-CD2 3.89Å; I40-I87 HydrophobicContact CD1-CD1 3.73Å; I40-I87 HydrophobicContact CD1-CG2 4.21Å; I40-I87 HydrophobicContact CG1-CD1 3.97Å; I40-I87 HydrophobicContact CG2-CD1 3.89Å; I40-F148 HydrophobicContact CD1-CE2 4.12Å; I40-F148 HydrophobicContact CD1-CZ 4.49Å
41L98Very high93.3Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-109.9126.8179-57.6-177.6000109.2M14 A17 A26 L39 L49 L52 M56 V65 H66 L67 L68M14-L41 HydrophobicContact CB-CD2 4.1Å; A17-L41 HydrophobicContact CB-CB 3.94Å; A17-L41 HydrophobicContact CB-CD2 3.85Å; A17-L41 HydrophobicContact CB-CG 4.32Å; A26-L41 HydrophobicContact CB-CD1 4.43Å; A26-L41 HydrophobicContact CB-CD2 4.06Å; L39-L41 HydrophobicContact CD1-CD2 3.88Å; L39-L41 HydrophobicContact CD2-CD2 4.08Å; L39-L41 HydrophobicContact CG-CD2 3.73Å; L39-L41 HydrophobicContact CG-CG 4.14Å; L41-L49 HydrophobicContact CB-CD1 4.36Å; L41-L49 HydrophobicContact CB-CD2 4.15Å; L41-L49 WeakPolarHBondContact O-CD1 3.19Å; L41-L52 HydrophobicContact CD1-CD2 3.9Å; L41-L52 HydrophobicContact CD1-CG 4.38Å; L41-M56 HydrophobicContact CD1-CE 4.06Å; L41-M56 HydrophobicContact CD1-SD 4.46Å; L41-V65 HydrophobicContact CD1-CG1 4.01Å; L41-V65 HydrophobicContact CG-CG1 4.38Å; L41-H66 PolarHBondContact N-O 2.71Å; L41-L67 HydrophobicContact CB-CD2 4.05Å; L41-L67 HydrophobicContact CD1-CD2 4.26Å; L41-L67 WeakPolarHBondContact O-CA 3.14Å; L41-L68 PolarHBondContact O-N 3Å
42T97.4Very high93.4Very high1 Ų141.5 Ų41.51%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-113.2144.9177.892.50000112L13 M14 T15 G16 A17 I40 L68 W70L13-T42 HydrophobicContact CD2-CG2 4.36Å; L13-T42 HydrophobicContact CG-CG2 4.31Å; M14-T42 PolarHBondContact O-N 2.63Å; T15-T42 WeakPolarHBondContact CA-OG1 3.47Å; G16-T42 WeakPolarHBondContact CA-O 3.34Å; G16-T42 PolarHBondContact N-O 3.47Å; A17-T42 PolarHBondContact N-O 3.42Å; I40-T42 HydrophobicContact CG2-CG2 4.48Å; T42-L68 VanDerWaalsContact CA-O 3.28Å; T42-L68 WeakPolarHBondContact CA-O 3.43Å; T42-L68 HydrophobicContact CG2-CB 4.13Å; T42-W70 HydrophobicContact CG2-CD2 4.2Å; T42-W70 HydrophobicContact CG2-CE3 3.87Å; T42-W70 HydrophobicContact CG2-CZ3 4.12Å
43S95.7Very high93.4Very high5 Ų544.5 Ų44.54%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-155.8167.9168.688.10000110.4Q45 L68 E69 W70S43-Q45 PolarHBondContact O-N 2.94Å; S43-Q45 PolarHBondContact OG-N 3.33Å; S43-Q45 PolarHBondContact OG-O 2.91Å; S43-L68 PolarHBondContact N-O 3.27Å; S43-L68 VanDerWaalsContact N-O 3.13Å; S43-E69 CarbonylContact O-C 3.55Å; S43-E69 VanDerWaalsContact O-CA 3.27Å; S43-E69 WeakPolarHBondContact O-CA 3.18Å; S43-W70 PolarHBondContact O-N 3.39Å
44R92.9Very high93.4Very high156 Ų15649.3 Ų49.359%0.58925%0.248SC*.SBendtrans-72.2-15.5175.8-63.2-175.9-69.8166.9-1114
45Q87Confident93.4Very high87 Ų8752.2 Ų52.241%0.40726%0.262SS..  trans-136.6103.3-175-67.6178.221.400108.5S43 D47 R48S43-Q45 PolarHBondContact O-N 2.94Å; S43-Q45 PolarHBondContact OG-N 3.33Å; S43-Q45 PolarHBondContact OG-O 2.91Å; Q45-D47 PolarHBondContact O-N 2.89Å; Q45-D47 VanDerWaalsContact O-N 3.13Å; Q45-R48 HydrophobicContact CB-CG 4Å; Q45-R48 PolarHBondContact O-N 2.76Å
46A80.6Confident93.5Very high37 Ų3747.3 Ų47.331%0.30623%0.23SC..G310 helixtrans-51.3-38.3-177.800000112.7R48 L49 G50 E69A46-R48 PolarHBondContact O-N 3.15Å; A46-L49 WeakPolarHBondContact O-CB 3.26Å; A46-L49 PolarHBondContact O-N 2.85Å; A46-G50 PolarHBondContact O-N 3Å; A46-E69 HydrophobicContact CB-CB 4.24Å; A46-E69 WeakPolarHBondContact CB-OE2 3.33Å; A46-E69 PolarHBondContact N-OE2 3.19Å
47D85.4Confident93.6Very high146 Ų14647 Ų4778%0.78123%0.225SC*.G310 helixtrans-57.3-26.7-178.7-62.6-20.9000113.5Q45 L49 P51Q45-D47 PolarHBondContact O-N 2.89Å; Q45-D47 VanDerWaalsContact O-N 3.13Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact O-N 3.12Å; D47-P51 WeakPolarHBondContact O-CD 3.37Å
48R87.6Confident93.4Very high100 Ų10053 Ų5338%0.37725%0.253SS..G310 helixtrans-78.1-16.3178.1-57.6-172-175.4-161.1-2.8113.6Q45 A46Q45-R48 HydrophobicContact CB-CG 4Å; Q45-R48 PolarHBondContact O-N 2.76Å; A46-R48 PolarHBondContact O-N 3.15Å
49L93.1Very high93.1Very high0 Ų059 Ų590%028%0.281CS..THydrogen-bonded Turntrans-94.3-24.8-179.5-65.7175000112.8A17 L41 A46 D47 L52 R53 L67A17-L49 HydrophobicContact CB-CD2 4.02Å; L41-L49 HydrophobicContact CB-CD1 4.36Å; L41-L49 HydrophobicContact CB-CD2 4.15Å; L41-L49 WeakPolarHBondContact O-CD1 3.19Å; A46-L49 WeakPolarHBondContact O-CB 3.26Å; A46-L49 PolarHBondContact O-N 2.85Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact O-N 3.12Å; L49-L52 HydrophobicContact CD2-CD2 4.49Å; L49-L52 WeakPolarHBondContact O-CB 3.37Å; L49-L52 PolarHBondContact O-N 3.28Å; L49-R53 PolarHBondContact O-N 3.07Å; L49-L67 HydrophobicContact CB-CB 4.45Å; L49-L67 HydrophobicContact CB-CD1 3.83Å; L49-L67 HydrophobicContact CB-CD2 3.79Å; L49-L67 HydrophobicContact CB-CG 4.22Å; L49-L67 HydrophobicContact CD1-CB 4.28Å; L49-L67 HydrophobicContact CD1-CD2 4.3Å
50G93.5Very high92.7Very high25 Ų2565.4 Ų65.426%0.25832%0.315SS..Hα-helixtrans-53.4-55.2178.400000113.3A46 L52 R53 Q54A46-G50 PolarHBondContact O-N 3Å; G50-L52 VanDerWaalsContact C-N 3.3Å; G50-L52 PolarHBondContact O-N 3.43Å; G50-R53 PolarHBondContact O-N 3.43Å; G50-Q54 PolarHBondContact O-N 3.36Å
51P94Very high92.3Very high62 Ų6266 Ų6640%0.40332%0.319SS..Hα-helixtrans-59.5-38.4178.1-26.435.3000113.2D47 Q54 E55D47-P51 WeakPolarHBondContact O-CD 3.37Å; P51-Q54 PolarHBondContact O-N 2.87Å; P51-E55 WeakPolarHBondContact O-CG 3.28Å; P51-E55 PolarHBondContact O-N 3.42Å
52L94.6Very high91.9Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-61.9-46.9177.3174.656.6000111.6R23 A26 Q27 L41 L49 G50 Q54 E55 M56R23-L52 HydrophobicContact CG-CD1 3.71Å; R23-L52 HydrophobicContact CG-CD2 4.28Å; A26-L52 HydrophobicContact CB-CD2 4.2Å; Q27-L52 HydrophobicContact CG-CD1 3.5Å; L41-L52 HydrophobicContact CD1-CD2 3.9Å; L41-L52 HydrophobicContact CD1-CG 4.38Å; L49-L52 HydrophobicContact CD2-CD2 4.49Å; L49-L52 WeakPolarHBondContact O-CB 3.37Å; L49-L52 PolarHBondContact O-N 3.28Å; G50-L52 VanDerWaalsContact C-N 3.3Å; G50-L52 PolarHBondContact O-N 3.43Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-E55 PolarHBondContact O-N 3.37Å; L52-M56 HydrophobicContact CD1-CE 3.8Å; L52-M56 HydrophobicContact CD2-CE 4.33Å; L52-M56 HydrophobicContact CG-CE 3.86Å; L52-M56 VanDerWaalsContact O-CG 3.28Å; L52-M56 WeakPolarHBondContact O-CG 3.33Å; L52-M56 PolarHBondContact O-N 3.05Å; L52-M56 VanDerWaalsContact O-N 3.08Å
53R95.2Very high91.8Very high95 Ų9573.5 Ų73.536%0.35836%0.359SS..Hα-helixtrans-64-40.5177-178.9-178.769.1-175.2-1.2111.6L49 G50 M56 Y57 V65 L67L49-R53 PolarHBondContact O-N 3.07Å; G50-R53 PolarHBondContact O-N 3.43Å; R53-M56 WeakPolarHBondContact O-CB 3.43Å; R53-M56 PolarHBondContact O-N 2.84Å; R53-Y57 HydrophobicContact CG-CD2 3.93Å; R53-Y57 HydrophobicContact CG-CE2 3.43Å; R53-Y57 VanDerWaalsContact CG-CE2 3.43Å; R53-Y57 WeakPolarHBondContact O-CD2 3.37Å; R53-Y57 PolarHBondContact O-N 3.33Å; R53-Y57 VanDerWaalsContact O-N 3.09Å; R53-V65 HydrophobicContact CB-CG1 4.27Å; R53-V65 HydrophobicContact CG-CB 3.95Å; R53-V65 HydrophobicContact CG-CG1 3.86Å; R53-L67 HydrophobicContact CB-CD1 4.35Å; R53-L67 HydrophobicContact CB-CD2 4.31Å
54Q94.8Very high91.9Very high114 Ų11476.7 Ų76.753%0.53337%0.37SS..Hα-helixtrans-60.4-49.9177.5180177.3-11.900111G50 P51 L52 M56 Y57 E58G50-Q54 PolarHBondContact O-N 3.36Å; P51-Q54 PolarHBondContact O-N 2.87Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-M56 VanDerWaalsContact C-N 3.27Å; Q54-M56 PolarHBondContact O-N 2.88Å; Q54-Y57 PolarHBondContact O-N 3.06Å; Q54-E58 HydrophobicContact CG-CG 4.42Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.34Å; Q54-E58 PolarHBondContact NE2-OE1 3.24Å; Q54-E58 WeakPolarHBondContact O-CG 3.41Å; Q54-E58 PolarHBondContact O-N 3.09Å
55E94Very high92.1Very high62 Ų6269.3 Ų69.329%0.2934%0.343SS..Hα-helixtrans-57.5-39.2176.4-74.9169-155.800112.3R23 Q27 P51 L52 E58 Q59R23-E55 IonicContact CZ-OE1 3.76Å; R23-E55 IonicContact CZ-OE2 2.71Å; R23-E55 IonicContact NE-OE2 3.66Å; R23-E55 IonicContact NH2-OE1 3.6Å; R23-E55 PolarHBondContact NH2-OE1 2.87Å; R23-E55 IonicContact NH2-OE2 3.17Å; R23-E55 PolarHBondContact NH2-OE2 3.04Å; Q27-E55 PolarHBondContact NE2-OE2 3.45Å; P51-E55 WeakPolarHBondContact O-CG 3.28Å; P51-E55 PolarHBondContact O-N 3.42Å; L52-E55 PolarHBondContact O-N 3.37Å; E55-E58 PolarHBondContact O-N 2.96Å; E55-Q59 WeakPolarHBondContact O-CB 3.47Å; E55-Q59 VanDerWaalsContact O-CG 3.28Å; E55-Q59 WeakPolarHBondContact O-CG 3.44Å; E55-Q59 PolarHBondContact O-N 3.26Å
56M95.2Very high92.5Very high1 Ų167.4 Ų67.41%0.00533%0.334CS..Hα-helixtrans-60-47174.5-69.7169.117200111.7A26 A30 L39 L41 L52 R53 Q54 Q59 C61 V65A26-M56 HydrophobicContact CB-CE 3.54Å; A26-M56 VanDerWaalsContact O-CE 3.26Å; A26-M56 WeakPolarHBondContact O-CE 2.96Å; A30-M56 HydrophobicContact CB-CB 4.28Å; A30-M56 HydrophobicContact CB-CE 4.3Å; A30-M56 HydrophobicContact CB-CG 3.9Å; A30-M56 HydrophobicContact CB-SD 4.11Å; L39-M56 HydrophobicContact CD2-CE 4.17Å; L39-M56 HydrophobicContact CD2-SD 4.48Å; L41-M56 HydrophobicContact CD1-CE 4.06Å; L41-M56 HydrophobicContact CD1-SD 4.46Å; L52-M56 HydrophobicContact CD1-CE 3.8Å; L52-M56 HydrophobicContact CD2-CE 4.33Å; L52-M56 HydrophobicContact CG-CE 3.86Å; L52-M56 VanDerWaalsContact O-CG 3.28Å; L52-M56 WeakPolarHBondContact O-CG 3.33Å; L52-M56 PolarHBondContact O-N 3.05Å; L52-M56 VanDerWaalsContact O-N 3.08Å; R53-M56 WeakPolarHBondContact O-CB 3.43Å; R53-M56 PolarHBondContact O-N 2.84Å; Q54-M56 VanDerWaalsContact C-N 3.27Å; Q54-M56 PolarHBondContact O-N 2.88Å; M56-Q59 CarbonylContact O-C 3.53Å; M56-Q59 WeakPolarHBondContact O-CA 3.34Å; M56-Q59 PolarHBondContact O-N 2.98Å; M56-Q59 VanDerWaalsContact O-N 3.14Å; M56-C61 VanDerWaalsContact C-CB 3.42Å; M56-C61 HydrophobicContact CB-CB 3.85Å; M56-C61 WeakPolarHBondContact O-CB 3.25Å; M56-C61 PolarHBondContact O-N 3.32Å; M56-V65 HydrophobicContact SD-CG1 4.16Å; M56-V65 HydrophobicContact SD-CG2 4.17Å
57Y95.2Very high93.3Very high97 Ų9767.3 Ų67.338%0.3833%0.328SS..Hα-helixtrans-68.7-35.8179.9-66.6-35.4000112.6R53 Q54 Q59 N60 C61 V65R53-Y57 HydrophobicContact CG-CD2 3.93Å; R53-Y57 HydrophobicContact CG-CE2 3.43Å; R53-Y57 VanDerWaalsContact CG-CE2 3.43Å; R53-Y57 WeakPolarHBondContact O-CD2 3.37Å; R53-Y57 PolarHBondContact O-N 3.33Å; R53-Y57 VanDerWaalsContact O-N 3.09Å; Q54-Y57 PolarHBondContact O-N 3.06Å; Y57-Q59 PolarHBondContact O-N 3.13Å; Y57-N60 PolarHBondContact O-N 2.68Å; Y57-C61 HydrophobicContact CD1-CB 3.99Å; Y57-C61 WeakPolarHBondContact CD1-O 3.42Å; Y57-V65 HydrophobicContact CE1-CB 4.46Å; Y57-V65 HydrophobicContact CE1-CG2 4.07Å; Y57-V65 PolarHBondContact OH-N 3.22Å
58E94.2Very high93.9Very high125 Ų12561 Ų6158%0.58429%0.294SS*.Hα-helixtrans-62-28.4170.9-71.2171.2-178.300112Q54 E55 N60Q54-E58 HydrophobicContact CG-CG 4.42Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.34Å; Q54-E58 PolarHBondContact NE2-OE1 3.24Å; Q54-E58 WeakPolarHBondContact O-CG 3.41Å; Q54-E58 PolarHBondContact O-N 3.09Å; E55-E58 PolarHBondContact O-N 2.96Å; E58-N60 PolarHBondContact O-N 3.25Å
59Q91.4Very high94.3Very high126 Ų12660.8 Ų60.859%0.58930%0.297SS*.THydrogen-bonded Turntrans-87.121.3172.3-66.9176.11.200113.6E55 M56 Y57 C61E55-Q59 WeakPolarHBondContact O-CB 3.47Å; E55-Q59 VanDerWaalsContact O-CG 3.28Å; E55-Q59 WeakPolarHBondContact O-CG 3.44Å; E55-Q59 PolarHBondContact O-N 3.26Å; M56-Q59 CarbonylContact O-C 3.53Å; M56-Q59 WeakPolarHBondContact O-CA 3.34Å; M56-Q59 PolarHBondContact O-N 2.98Å; M56-Q59 VanDerWaalsContact O-N 3.14Å; Y57-Q59 PolarHBondContact O-N 3.13Å; Q59-C61 VanDerWaalsContact C-N 3.31Å; Q59-C61 PolarHBondContact O-N 2.72Å
60N88.1Confident94.5Very high135 Ų13560.8 Ų60.872%0.72230%0.297SS*.THydrogen-bonded Turntrans60.233.3179.8-54.4-67.4000114.2Y57 E58 N62Y57-N60 PolarHBondContact O-N 2.68Å; E58-N60 PolarHBondContact O-N 3.25Å; N60-N62 PolarHBondContact O-N 3.34Å
61C90.9Very high94.6Very high13 Ų1362.2 Ų62.29%0.08830%0.299CS..  trans-60.7118.4169.3175.10000110.3A30 M56 Y57 Q59 L63A30-C61 HydrophobicContact CB-CB 4.25Å; M56-C61 VanDerWaalsContact C-CB 3.42Å; M56-C61 HydrophobicContact CB-CB 3.85Å; M56-C61 WeakPolarHBondContact O-CB 3.25Å; M56-C61 PolarHBondContact O-N 3.32Å; Y57-C61 HydrophobicContact CD1-CB 3.99Å; Y57-C61 WeakPolarHBondContact CD1-O 3.42Å; Q59-C61 VanDerWaalsContact C-N 3.31Å; Q59-C61 PolarHBondContact O-N 2.72Å; C61-L63 PolarHBondContact SG-N 2.97Å
62N89.6Confident94.8Very high145 Ų14559.8 Ų59.878%0.77528%0.283SS*.  trans-98.516.5177-67.7-39.1000112.7N60N60-N62 PolarHBondContact O-N 3.34Å
63L95.7Very high94.9Very high12 Ų1260 Ų606%0.06329%0.285CS..SBendtrans-89159.3180-49.7-172000111.3L33 G34 L39 C61 V65L33-L63 HydrophobicContact CB-CD1 3.74Å; L33-L63 HydrophobicContact CB-CD2 4.17Å; L33-L63 HydrophobicContact CD1-CD1 3.66Å; L33-L63 HydrophobicContact CG-CD1 4.24Å; G34-L63 WeakPolarHBondContact O-CD2 3.45Å; L39-L63 HydrophobicContact CB-CD1 4.5Å; C61-L63 PolarHBondContact SG-N 2.97Å; L63-V65 HydrophobicContact CB-CG2 4.3Å; L63-V65 PolarHBondContact O-N 3.02Å
64R96.3Very high95.1Very high72 Ų7261.9 Ų61.927%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-82.9100.7166.8-57.1-179.6-174.3122.2-17.2108.3Q36 S37 V38 L39 Y91Q36-R64 PolarHBondContact O-NH1 2.96Å; S37-R64 PolarHBondContact O-N 2.98Å; V38-R64 CarbonylContact C-O 3.53Å; V38-R64 WeakPolarHBondContact CA-O 3.14Å; V38-R64 HydrophobicContact CG2-CB 4.16Å; L39-R64 PolarHBondContact N-O 2.86Å; R64-Y91 HydrophobicContact CB-CD1 4.42Å; R64-Y91 HydrophobicContact CB-CD2 4.14Å; R64-Y91 HydrophobicContact CB-CE1 4.17Å; R64-Y91 HydrophobicContact CB-CE2 3.87Å; R64-Y91 HydrophobicContact CB-CG 4.41Å; R64-Y91 HydrophobicContact CG-CD1 4.42Å; R64-Y91 HydrophobicContact CG-CE1 4.5Å
65V96.7Very high95.2Very high1 Ų157.7 Ų57.71%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-96.5110.4179.9-173.80000110.3L39 L41 R53 M56 Y57 L63 L67L39-V65 HydrophobicContact CB-CG2 4.48Å; L39-V65 CarbonylContact O-C 3.58Å; L39-V65 WeakPolarHBondContact O-CA 3.3Å; L41-V65 HydrophobicContact CD1-CG1 4.01Å; L41-V65 HydrophobicContact CG-CG1 4.38Å; R53-V65 HydrophobicContact CB-CG1 4.27Å; R53-V65 HydrophobicContact CG-CB 3.95Å; R53-V65 HydrophobicContact CG-CG1 3.86Å; M56-V65 HydrophobicContact SD-CG1 4.16Å; M56-V65 HydrophobicContact SD-CG2 4.17Å; Y57-V65 HydrophobicContact CE1-CB 4.46Å; Y57-V65 HydrophobicContact CE1-CG2 4.07Å; Y57-V65 PolarHBondContact OH-N 3.22Å; L63-V65 HydrophobicContact CB-CG2 4.3Å; L63-V65 PolarHBondContact O-N 3.02Å; V65-L67 HydrophobicContact CG1-CD2 4.25Å
66H97.2Very high95.4Very high47 Ų4757 Ų5722%0.21828%0.278CS..EExtended strand (participates in β ladder)trans-104.3140.4179.2-150.993.9000111.3L39 I40 L41 I87 Y91L39-H66 PolarHBondContact O-N 3.12Å; I40-H66 WeakPolarHBondContact CA-O 3.47Å; L41-H66 PolarHBondContact N-O 2.71Å; H66-I87 HydrophobicContact CB-CD1 4.13Å; H66-I87 HydrophobicContact CB-CG1 4.37Å; H66-I87 VanDerWaalsContact CD2-CG1 3.5Å; H66-I87 WeakPolarHBondContact CD2-CG1 3.47Å; H66-Y91 HydrophobicContact CB-CE2 4Å; H66-Y91 AromaticContact ND1-CE2 3.66Å; H66-Y91 AromaticContact ND1-CZ 3.54Å; H66-Y91 PolarHBondContact ND1-OH 3.4Å
67L97.1Very high95.5Very high36 Ų3659.8 Ų59.819%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-112.7128.4-178.2-52.4-176000109L41 L49 R53 V65L41-L67 HydrophobicContact CB-CD2 4.05Å; L41-L67 HydrophobicContact CD1-CD2 4.26Å; L41-L67 WeakPolarHBondContact O-CA 3.14Å; L49-L67 HydrophobicContact CB-CB 4.45Å; L49-L67 HydrophobicContact CB-CD1 3.83Å; L49-L67 HydrophobicContact CB-CD2 3.79Å; L49-L67 HydrophobicContact CB-CG 4.22Å; L49-L67 HydrophobicContact CD1-CB 4.28Å; L49-L67 HydrophobicContact CD1-CD2 4.3Å; R53-L67 HydrophobicContact CB-CD1 4.35Å; R53-L67 HydrophobicContact CB-CD2 4.31Å; V65-L67 HydrophobicContact CG1-CD2 4.25Å
68L97.2Very high95.7Very high13 Ų1360.4 Ų60.47%0.06830%0.3CS..EExtended strand (participates in β ladder)trans-120135174.1-66-179.9000110.5I40 L41 T42 S43 W70 D83 I87I40-L68 HydrophobicContact CG2-CD1 3.67Å; I40-L68 HydrophobicContact CG2-CG 4.02Å; L41-L68 PolarHBondContact O-N 3Å; T42-L68 VanDerWaalsContact CA-O 3.28Å; T42-L68 WeakPolarHBondContact CA-O 3.43Å; T42-L68 HydrophobicContact CG2-CB 4.13Å; S43-L68 PolarHBondContact N-O 3.27Å; S43-L68 VanDerWaalsContact N-O 3.13Å; L68-W70 HydrophobicContact CD1-CH2 4.3Å; L68-W70 HydrophobicContact CD1-CZ2 3.54Å; L68-D83 HydrophobicContact CD1-CB 4.09Å; L68-D83 HydrophobicContact CD2-CB 3.91Å; L68-I87 HydrophobicContact CD1-CD1 3.85Å; L68-I87 HydrophobicContact CD2-CD1 4.11Å; L68-I87 HydrophobicContact CG-CD1 4.08Å
69E96.3Very high95.9Very high95 Ų9558.9 Ų58.944%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-93.497.6172.2-173171.4111.200110S43 A46 R79S43-E69 CarbonylContact O-C 3.55Å; S43-E69 VanDerWaalsContact O-CA 3.27Å; S43-E69 WeakPolarHBondContact O-CA 3.18Å; A46-E69 HydrophobicContact CB-CB 4.24Å; A46-E69 WeakPolarHBondContact CB-OE2 3.33Å; A46-E69 PolarHBondContact N-OE2 3.19Å; E69-R79 PolarHBondContact O-NH1 3.34Å; E69-R79 VanDerWaalsContact O-NH1 3.1Å; E69-R79 PolarHBondContact O-NH2 3.24Å
70W97.2Very high96.2Very high1 Ų153 Ų530%0.00426%0.261CS..  trans-111.9116.6177-72.1-6.8000110.5L13 T42 S43 L68 L72 F80 D83 L84 T140L13-W70 HydrophobicContact CD1-CH2 3.87Å; L13-W70 HydrophobicContact CD1-CZ3 4.09Å; T42-W70 HydrophobicContact CG2-CD2 4.2Å; T42-W70 HydrophobicContact CG2-CE3 3.87Å; T42-W70 HydrophobicContact CG2-CZ3 4.12Å; S43-W70 PolarHBondContact O-N 3.39Å; L68-W70 HydrophobicContact CD1-CH2 4.3Å; L68-W70 HydrophobicContact CD1-CZ2 3.54Å; W70-L72 HydrophobicContact CB-CD2 3.82Å; W70-L72 HydrophobicContact CE3-CD2 4.25Å; W70-L72 PolarHBondContact O-N 3.42Å; W70-F80 HydrophobicContact CB-CE1 4.24Å; W70-F80 AromaticContact CD2-CD1 3.61Å; W70-F80 HydrophobicContact CD2-CD1 3.61Å; W70-F80 AromaticContact CD2-CE1 3.58Å; W70-F80 HydrophobicContact CD2-CE1 3.58Å; W70-F80 HydrophobicContact CD2-CG 4.4Å; W70-F80 HydrophobicContact CD2-CZ 4.34Å; W70-F80 AromaticContact CE2-CD1 3.46Å; W70-F80 VanDerWaalsContact CE2-CD1 3.46Å; W70-F80 AromaticContact CE2-CE1 3.95Å; W70-F80 AromaticContact CE3-CD1 3.96Å; W70-F80 HydrophobicContact CE3-CD1 3.96Å; W70-F80 AromaticContact CE3-CE1 3.85Å; W70-F80 HydrophobicContact CE3-CE1 3.85Å; W70-F80 HydrophobicContact CE3-CG 4.39Å; W70-F80 HydrophobicContact CE3-CZ 4.17Å; W70-F80 HydrophobicContact CG-CD1 4.1Å; W70-F80 AromaticContact CG-CE1 3.76Å; W70-F80 HydrophobicContact CG-CE1 3.76Å; W70-F80 HydrophobicContact CH2-CB 3.98Å; W70-F80 HydrophobicContact CH2-CD1 4.09Å; W70-F80 AromaticContact CH2-CG 3.96Å; W70-F80 HydrophobicContact CH2-CG 3.96Å; W70-F80 HydrophobicContact CZ2-CB 3.89Å; W70-F80 AromaticContact CZ2-CD1 3.73Å; W70-F80 HydrophobicContact CZ2-CD1 3.73Å; W70-F80 AromaticContact CZ2-CG 3.94Å; W70-F80 HydrophobicContact CZ2-CG 3.94Å; W70-F80 HydrophobicContact CZ3-CD1 4.19Å; W70-F80 HydrophobicContact CZ3-CD2 4.4Å; W70-F80 HydrophobicContact CZ3-CE1 4.44Å; W70-F80 HydrophobicContact CZ3-CG 4.18Å; W70-F80 AromaticContact NE1-CD1 3.81Å; W70-D83 HydrophobicContact CZ2-CB 4.37Å; W70-D83 PolarHBondContact NE1-OD2 3.27Å; W70-L84 HydrophobicContact CH2-CD1 4.42Å; W70-L84 HydrophobicContact CH2-CD2 4.44Å; W70-L84 HydrophobicContact CH2-CG 4.41Å; W70-L84 HydrophobicContact CZ2-CG 4.41Å; W70-T140 HydrophobicContact CZ3-CG2 4.1Å
71D96.6Very high96.7Very high55 Ų5546.9 Ų46.929%0.29423%0.229SC..  trans-82.7103.2162.4-164.8-8.5000109.7A73 Y74D71-A73 PolarHBondContact O-N 3.23Å; D71-A73 VanDerWaalsContact OD1-CB 3.32Å; D71-A73 WeakPolarHBondContact OD1-CB 3.39Å; D71-A73 PolarHBondContact OD1-N 3.35Å; D71-Y74 HydrophobicContact CB-CD2 4.32Å; D71-Y74 CarbonylContact O-C 3.58Å; D71-Y74 PolarHBondContact O-N 3.36Å; D71-Y74 WeakPolarHBondContact OD2-CD2 3.43Å; D71-Y74 WeakPolarHBondContact OD2-CE2 3.46Å
72L97.4Very high97.1Very high10 Ų1051 Ų515%0.05225%0.25CC..THydrogen-bonded Turntrans-75.3-7.3-177.8-54.8-177.4000112.8W70 F80 A107 N131 I132W70-L72 HydrophobicContact CB-CD2 3.82Å; W70-L72 HydrophobicContact CE3-CD2 4.25Å; W70-L72 PolarHBondContact O-N 3.42Å; L72-F80 HydrophobicContact CD2-CZ 3.95Å; L72-A107 HydrophobicContact CD1-CB 3.4Å; L72-A107 VanDerWaalsContact CD1-CB 3.4Å; L72-N131 CarbonylContact O-C 3.26Å; L72-N131 VanDerWaalsContact O-C 3.26Å; L72-I132 HydrophobicContact CB-CB 4.43Å; L72-I132 HydrophobicContact CB-CG1 4.23Å; L72-I132 HydrophobicContact CB-CG2 4.35Å; L72-I132 WeakPolarHBondContact O-CA 3.19Å; L72-I132 PolarHBondContact O-N 2.88Å
73A97.4Very high97.5Very high6 Ų646 Ų465%0.0522%0.223CC..THydrogen-bonded Turntrans-68.4-27.5168.600000111.9D71 P75 E128 N131 I132D71-A73 PolarHBondContact O-N 3.23Å; D71-A73 VanDerWaalsContact OD1-CB 3.32Å; D71-A73 WeakPolarHBondContact OD1-CB 3.39Å; D71-A73 PolarHBondContact OD1-N 3.35Å; A73-P75 VanDerWaalsContact O-CD 3.29Å; A73-P75 WeakPolarHBondContact O-CD 3.4Å; A73-E128 HydrophobicContact CB-CB 4.27Å; A73-E128 HydrophobicContact CB-CG 4.38Å; A73-N131 WeakPolarHBondContact O-CB 3.45Å; A73-N131 PolarHBondContact O-ND2 3.11Å; A73-I132 HydrophobicContact CB-CD1 4.03Å; A73-I132 HydrophobicContact CB-CG1 4Å
74Y97.9Very high97.7Very high133 Ų13345.5 Ų45.552%0.52222%0.22SC..SBendtrans-122.864.4-179.2-49.9-67000110.3D71 S76 E128D71-Y74 HydrophobicContact CB-CD2 4.32Å; D71-Y74 CarbonylContact O-C 3.58Å; D71-Y74 PolarHBondContact O-N 3.36Å; D71-Y74 WeakPolarHBondContact OD2-CD2 3.43Å; D71-Y74 WeakPolarHBondContact OD2-CE2 3.46Å; Y74-S76 PolarHBondContact O-N 3.07Å; Y74-E128 HydrophobicContact CE1-CG 4.3Å; Y74-E128 PolarHBondContact OH-OE1 3.2Å
75P97.7Very high97.8Very high27 Ų2747 Ų4718%0.17523%0.229CC..  trans-68.1132.9-17331.7-36.6000110.2A73 F80 N131 I135 L139A73-P75 VanDerWaalsContact O-CD 3.29Å; A73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-F80 HydrophobicContact CB-CE2 4.39Å; P75-F80 HydrophobicContact CB-CZ 4.2Å; P75-N131 HydrophobicContact CG-CB 3.97Å; P75-I135 HydrophobicContact CG-CB 4.38Å; P75-I135 HydrophobicContact CG-CG2 4.04Å; P75-L139 HydrophobicContact CB-CD1 3.99Å
76S97.9Very high97.9Very high48 Ų4849.7 Ų49.734%0.33625%0.251SS..  trans-132.8116.3178.9168.70000109.5Y74 D78 R79 F80Y74-S76 PolarHBondContact O-N 3.07Å; S76-D78 PolarHBondContact O-N 3.36Å; S76-R79 PolarHBondContact O-N 2.87Å; S76-R79 WeakPolarHBondContact OG-CB 3.48Å; S76-R79 PolarHBondContact OG-N 3.37Å; S76-F80 WeakPolarHBondContact O-CD1 3.39Å; S76-F80 VanDerWaalsContact O-CG 3.24Å; S76-F80 WeakPolarHBondContact O-CG 3.47Å; S76-F80 PolarHBondContact O-N 2.83Å
77F98.6Very high97.9Very high59 Ų5947.4 Ų47.426%0.25924%0.241SC..Hα-helixtrans-60.4-46179.1177.1-105000111.7R79 F80 V81 L139 A142 A143 K146F77-R79 VanDerWaalsContact C-N 3.31Å; F77-R79 PolarHBondContact O-N 2.84Å; F77-F80 PolarHBondContact O-N 3.23Å; F77-V81 HydrophobicContact CD1-CG2 4.29Å; F77-V81 HydrophobicContact CD2-CG2 4.27Å; F77-V81 HydrophobicContact CE1-CG2 3.89Å; F77-V81 HydrophobicContact CE2-CG2 3.87Å; F77-V81 HydrophobicContact CG-CG2 4.49Å; F77-V81 HydrophobicContact CZ-CG2 3.68Å; F77-V81 WeakPolarHBondContact O-CG2 3.37Å; F77-V81 PolarHBondContact O-N 2.89Å; F77-L139 HydrophobicContact CB-CD1 4.28Å; F77-L139 HydrophobicContact CB-CD2 4.41Å; F77-A142 HydrophobicContact CD2-CB 4.39Å; F77-A142 HydrophobicContact CE2-CB 3.86Å; F77-A143 HydrophobicContact CD2-CB 4.22Å; F77-A143 HydrophobicContact CE2-CB 4.1Å; F77-K146 HydrophobicContact CE1-CD 4.34Å; F77-K146 HydrophobicContact CZ-CD 3.65Å
78D98.7Very high97.9Very high110 Ų11047.6 Ų47.659%0.58824%0.241SC*.Hα-helixtrans-62.6-40.9-180-68.2-27.3000111.4S76 V81 N82S76-D78 PolarHBondContact O-N 3.36Å; D78-V81 PolarHBondContact O-N 3.18Å; D78-N82 VanDerWaalsContact O-CB 3.3Å; D78-N82 WeakPolarHBondContact O-CB 3.39Å; D78-N82 PolarHBondContact O-N 3.36Å; D78-N82 PolarHBondContact O-ND2 3.05Å
79R98.4Very high97.9Very high93 Ų9353.2 Ų53.235%0.35127%0.27SS..Hα-helixtrans-60-50.9174.2-175-179.7-176-144.9-1.3111.3E69 S76 F77 V81 N82 D83E69-R79 PolarHBondContact O-NH1 3.34Å; E69-R79 VanDerWaalsContact O-NH1 3.1Å; E69-R79 PolarHBondContact O-NH2 3.24Å; S76-R79 PolarHBondContact O-N 2.87Å; S76-R79 WeakPolarHBondContact OG-CB 3.48Å; S76-R79 PolarHBondContact OG-N 3.37Å; F77-R79 VanDerWaalsContact C-N 3.31Å; F77-R79 PolarHBondContact O-N 2.84Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.37Å; R79-N82 PolarHBondContact O-N 3.3Å; R79-D83 IonicContact NE-OD2 3.09Å; R79-D83 WeakPolarHBondContact O-CB 3.5Å; R79-D83 PolarHBondContact O-N 2.89Å
80F98.6Very high98Very high1 Ų151.9 Ų51.90%0.00428%0.275CS..Hα-helixtrans-60-43-179-63.7-9.4000111.3W70 L72 P75 S76 F77 L84 L139 A143W70-F80 HydrophobicContact CB-CE1 4.24Å; W70-F80 AromaticContact CD2-CD1 3.61Å; W70-F80 HydrophobicContact CD2-CD1 3.61Å; W70-F80 AromaticContact CD2-CE1 3.58Å; W70-F80 HydrophobicContact CD2-CE1 3.58Å; W70-F80 HydrophobicContact CD2-CG 4.4Å; W70-F80 HydrophobicContact CD2-CZ 4.34Å; W70-F80 AromaticContact CE2-CD1 3.46Å; W70-F80 VanDerWaalsContact CE2-CD1 3.46Å; W70-F80 AromaticContact CE2-CE1 3.95Å; W70-F80 AromaticContact CE3-CD1 3.96Å; W70-F80 HydrophobicContact CE3-CD1 3.96Å; W70-F80 AromaticContact CE3-CE1 3.85Å; W70-F80 HydrophobicContact CE3-CE1 3.85Å; W70-F80 HydrophobicContact CE3-CG 4.39Å; W70-F80 HydrophobicContact CE3-CZ 4.17Å; W70-F80 HydrophobicContact CG-CD1 4.1Å; W70-F80 AromaticContact CG-CE1 3.76Å; W70-F80 HydrophobicContact CG-CE1 3.76Å; W70-F80 HydrophobicContact CH2-CB 3.98Å; W70-F80 HydrophobicContact CH2-CD1 4.09Å; W70-F80 AromaticContact CH2-CG 3.96Å; W70-F80 HydrophobicContact CH2-CG 3.96Å; W70-F80 HydrophobicContact CZ2-CB 3.89Å; W70-F80 AromaticContact CZ2-CD1 3.73Å; W70-F80 HydrophobicContact CZ2-CD1 3.73Å; W70-F80 AromaticContact CZ2-CG 3.94Å; W70-F80 HydrophobicContact CZ2-CG 3.94Å; W70-F80 HydrophobicContact CZ3-CD1 4.19Å; W70-F80 HydrophobicContact CZ3-CD2 4.4Å; W70-F80 HydrophobicContact CZ3-CE1 4.44Å; W70-F80 HydrophobicContact CZ3-CG 4.18Å; W70-F80 AromaticContact NE1-CD1 3.81Å; L72-F80 HydrophobicContact CD2-CZ 3.95Å; P75-F80 HydrophobicContact CB-CE2 4.39Å; P75-F80 HydrophobicContact CB-CZ 4.2Å; S76-F80 WeakPolarHBondContact O-CD1 3.39Å; S76-F80 VanDerWaalsContact O-CG 3.24Å; S76-F80 WeakPolarHBondContact O-CG 3.47Å; S76-F80 PolarHBondContact O-N 2.83Å; F77-F80 PolarHBondContact O-N 3.23Å; F80-L84 WeakPolarHBondContact O-CB 3.22Å; F80-L84 WeakPolarHBondContact O-CD1 3.5Å; F80-L84 WeakPolarHBondContact O-CG 3.44Å; F80-L84 PolarHBondContact O-N 3.05Å; F80-L139 HydrophobicContact CD2-CB 3.98Å; F80-L139 HydrophobicContact CE2-CB 3.95Å; F80-A143 HydrophobicContact CB-CB 3.66Å
81V98.6Very high97.9Very high7 Ų754.3 Ų54.34%0.04229%0.285CS..Hα-helixtrans-64-44.7176.2170.80000111.7F77 D78 R79 L84 K85 A143 K146 V147F77-V81 HydrophobicContact CD1-CG2 4.29Å; F77-V81 HydrophobicContact CD2-CG2 4.27Å; F77-V81 HydrophobicContact CE1-CG2 3.89Å; F77-V81 HydrophobicContact CE2-CG2 3.87Å; F77-V81 HydrophobicContact CG-CG2 4.49Å; F77-V81 HydrophobicContact CZ-CG2 3.68Å; F77-V81 WeakPolarHBondContact O-CG2 3.37Å; F77-V81 PolarHBondContact O-N 2.89Å; D78-V81 PolarHBondContact O-N 3.18Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.37Å; V81-L84 PolarHBondContact O-N 2.87Å; V81-K85 HydrophobicContact CG1-CD 3.97Å; V81-K85 HydrophobicContact CG1-CG 4.35Å; V81-K85 WeakPolarHBondContact O-CB 3.4Å; V81-K85 VanDerWaalsContact O-CG 3.32Å; V81-K85 WeakPolarHBondContact O-CG 3.46Å; V81-K85 PolarHBondContact O-N 3.24Å; V81-A143 HydrophobicContact CG2-CB 3.74Å; V81-K146 HydrophobicContact CG2-CD 4.28Å; V81-V147 HydrophobicContact CG1-CG2 4.29Å
82N98.7Very high97.9Very high100 Ų10057.8 Ų57.854%0.53530%0.303SS..Hα-helixtrans-64.8-43-179.1-72-21.5000111.8D78 R79 K85 A86D78-N82 VanDerWaalsContact O-CB 3.3Å; D78-N82 WeakPolarHBondContact O-CB 3.39Å; D78-N82 PolarHBondContact O-N 3.36Å; D78-N82 PolarHBondContact O-ND2 3.05Å; R79-N82 PolarHBondContact O-N 3.3Å; N82-K85 PolarHBondContact O-N 2.89Å; N82-A86 WeakPolarHBondContact O-CB 3.47Å; N82-A86 PolarHBondContact O-N 2.92Å
83D98.5Very high97.8Very high41 Ų4157.5 Ų57.522%0.21930%0.302CS..Hα-helixtrans-62.5-44.6176.3-70.7-15.1000111.1L68 W70 R79 A86 I87L68-D83 HydrophobicContact CD1-CB 4.09Å; L68-D83 HydrophobicContact CD2-CB 3.91Å; W70-D83 HydrophobicContact CZ2-CB 4.37Å; W70-D83 PolarHBondContact NE1-OD2 3.27Å; R79-D83 IonicContact NE-OD2 3.09Å; R79-D83 WeakPolarHBondContact O-CB 3.5Å; R79-D83 PolarHBondContact O-N 2.89Å; D83-A86 WeakPolarHBondContact O-CB 3.48Å; D83-A86 PolarHBondContact O-N 3.33Å; D83-I87 WeakPolarHBondContact O-CG1 3.49Å; D83-I87 PolarHBondContact O-N 3.18Å; D83-I87 VanDerWaalsContact O-N 3.1Å
84L98.5Very high97.5Very high0 Ų065.7 Ų65.70%033%0.331CS..Hα-helixtrans-67.5-36.7178.4-66.4168.9000112.5L13 I40 W70 F80 V81 I87 E88 A143 F144 V147 F148L13-L84 HydrophobicContact CD1-CD2 3.8Å; I40-L84 HydrophobicContact CD1-CD2 3.89Å; W70-L84 HydrophobicContact CH2-CD1 4.42Å; W70-L84 HydrophobicContact CH2-CD2 4.44Å; W70-L84 HydrophobicContact CH2-CG 4.41Å; W70-L84 HydrophobicContact CZ2-CG 4.41Å; F80-L84 WeakPolarHBondContact O-CB 3.22Å; F80-L84 WeakPolarHBondContact O-CD1 3.5Å; F80-L84 WeakPolarHBondContact O-CG 3.44Å; F80-L84 PolarHBondContact O-N 3.05Å; V81-L84 PolarHBondContact O-N 2.87Å; L84-I87 WeakPolarHBondContact O-CB 3.47Å; L84-I87 PolarHBondContact O-N 3.35Å; L84-E88 PolarHBondContact O-N 3.47Å; L84-A143 HydrophobicContact CD1-CB 3.97Å; L84-F144 HydrophobicContact CD1-CB 4.3Å; L84-F144 HydrophobicContact CD2-CD2 4.33Å; L84-V147 HydrophobicContact CB-CB 4.2Å; L84-V147 HydrophobicContact CB-CG1 4.21Å; L84-V147 HydrophobicContact CB-CG2 3.92Å; L84-F148 HydrophobicContact CB-CE2 4.16Å; L84-F148 HydrophobicContact CD2-CE2 3.93Å
85K98.2Very high97.1Very high104 Ų10466.4 Ų66.445%0.45234%0.344SS..Hα-helixtrans-66.9-35.6172.1-77.4179.1174.7-177.70112.6V81 N82 I87 E88 L89 V147V81-K85 HydrophobicContact CG1-CD 3.97Å; V81-K85 HydrophobicContact CG1-CG 4.35Å; V81-K85 WeakPolarHBondContact O-CB 3.4Å; V81-K85 VanDerWaalsContact O-CG 3.32Å; V81-K85 WeakPolarHBondContact O-CG 3.46Å; V81-K85 PolarHBondContact O-N 3.24Å; N82-K85 PolarHBondContact O-N 2.89Å; K85-I87 VanDerWaalsContact C-N 3.26Å; K85-I87 PolarHBondContact O-N 2.91Å; K85-E88 WeakPolarHBondContact O-CB 3.18Å; K85-E88 PolarHBondContact O-N 2.85Å; K85-L89 WeakPolarHBondContact O-CB 3.4Å; K85-L89 PolarHBondContact O-N 2.73Å; K85-V147 HydrophobicContact CG-CG1 4.42Å; K85-V147 HydrophobicContact CG-CG2 3.98Å
86A98.3Very high96.8Very high57 Ų5767.6 Ų67.647%0.47135%0.348SS..Hα-helixtrans-63.1-37.3174.100000110.9N82 D83 L89 A90N82-A86 WeakPolarHBondContact O-CB 3.47Å; N82-A86 PolarHBondContact O-N 2.92Å; D83-A86 WeakPolarHBondContact O-CB 3.48Å; D83-A86 PolarHBondContact O-N 3.33Å; A86-L89 PolarHBondContact O-N 3.19Å; A86-A90 WeakPolarHBondContact O-CB 3.19Å; A86-A90 PolarHBondContact O-N 3.29Å
87I98Very high96.5Very high0 Ų073.9 Ų73.90%036%0.364CS..Hα-helixtrans-66.8-45.7172.9-64.5170.4000111.5V38 I40 H66 L68 D83 L84 K85 L89 A90 Y91 L93V38-I87 HydrophobicContact CG1-CG2 4.21Å; I40-I87 HydrophobicContact CD1-CD1 3.73Å; I40-I87 HydrophobicContact CD1-CG2 4.21Å; I40-I87 HydrophobicContact CG1-CD1 3.97Å; I40-I87 HydrophobicContact CG2-CD1 3.89Å; H66-I87 HydrophobicContact CB-CD1 4.13Å; H66-I87 HydrophobicContact CB-CG1 4.37Å; H66-I87 VanDerWaalsContact CD2-CG1 3.5Å; H66-I87 WeakPolarHBondContact CD2-CG1 3.47Å; L68-I87 HydrophobicContact CD1-CD1 3.85Å; L68-I87 HydrophobicContact CD2-CD1 4.11Å; L68-I87 HydrophobicContact CG-CD1 4.08Å; D83-I87 WeakPolarHBondContact O-CG1 3.49Å; D83-I87 PolarHBondContact O-N 3.18Å; D83-I87 VanDerWaalsContact O-N 3.1Å; L84-I87 WeakPolarHBondContact O-CB 3.47Å; L84-I87 PolarHBondContact O-N 3.35Å; K85-I87 VanDerWaalsContact C-N 3.26Å; K85-I87 PolarHBondContact O-N 2.91Å; I87-L89 VanDerWaalsContact C-N 3.26Å; I87-L89 PolarHBondContact O-N 3.31Å; I87-A90 PolarHBondContact O-N 2.87Å; I87-Y91 HydrophobicContact CG2-CD2 3.68Å; I87-Y91 HydrophobicContact CG2-CE2 3.88Å; I87-Y91 PolarHBondContact O-N 2.82Å; I87-Y91 VanDerWaalsContact O-N 3.09Å; I87-L93 HydrophobicContact CG2-CD1 4.37Å
88E97.4Very high96.4Very high40 Ų4071.5 Ų71.519%0.18735%0.353CS..Hα-helixtrans-53.8-46175-176.6-170.1-115.600111L84 K85 D92 L93 V147 F148L84-E88 PolarHBondContact O-N 3.47Å; K85-E88 WeakPolarHBondContact O-CB 3.18Å; K85-E88 PolarHBondContact O-N 2.85Å; E88-D92 PolarHBondContact O-N 3.35Å; E88-D92 VanDerWaalsContact O-N 3.13Å; E88-L93 HydrophobicContact CG-CB 4.07Å; E88-L93 PolarHBondContact O-N 3.34Å; E88-V147 HydrophobicContact CB-CG1 4.28Å; E88-F148 HydrophobicContact CB-CE1 4.15Å
89L97.6Very high96.3Very high130 Ų13070.9 Ų70.968%0.68135%0.347SS*.Hα-helixtrans-68.5-47.1177.5-178.463.4000112.5K85 A86 I87 Y91 D92K85-L89 WeakPolarHBondContact O-CB 3.4Å; K85-L89 PolarHBondContact O-N 2.73Å; A86-L89 PolarHBondContact O-N 3.19Å; I87-L89 VanDerWaalsContact C-N 3.26Å; I87-L89 PolarHBondContact O-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.44Å; L89-D92 PolarHBondContact O-N 3.42Å
90A97.3Very high96.2Very high68 Ų6866.4 Ų66.456%0.56233%0.33SS*.Hα-helixtrans-64-27.1-174.900000113.3A86 I87A86-A90 WeakPolarHBondContact O-CB 3.19Å; A86-A90 PolarHBondContact O-N 3.29Å; I87-A90 PolarHBondContact O-N 2.87Å
91Y96.4Very high96.2Very high52 Ų5266.4 Ų66.420%0.20433%0.33CS..THydrogen-bonded Turntrans-111.29179.5-61-36.2000114.1V38 R64 H66 I87 L89 L93V38-Y91 HydrophobicContact CG1-CD2 3.92Å; V38-Y91 HydrophobicContact CG1-CE2 3.94Å; V38-Y91 HydrophobicContact CG2-CD2 4.24Å; R64-Y91 HydrophobicContact CB-CD1 4.42Å; R64-Y91 HydrophobicContact CB-CD2 4.14Å; R64-Y91 HydrophobicContact CB-CE1 4.17Å; R64-Y91 HydrophobicContact CB-CE2 3.87Å; R64-Y91 HydrophobicContact CB-CG 4.41Å; R64-Y91 HydrophobicContact CG-CD1 4.42Å; R64-Y91 HydrophobicContact CG-CE1 4.5Å; H66-Y91 HydrophobicContact CB-CE2 4Å; H66-Y91 AromaticContact ND1-CE2 3.66Å; H66-Y91 AromaticContact ND1-CZ 3.54Å; H66-Y91 PolarHBondContact ND1-OH 3.4Å; I87-Y91 HydrophobicContact CG2-CD2 3.68Å; I87-Y91 HydrophobicContact CG2-CE2 3.88Å; I87-Y91 PolarHBondContact O-N 2.82Å; I87-Y91 VanDerWaalsContact O-N 3.09Å; L89-Y91 PolarHBondContact O-N 3.44Å; Y91-L93 HydrophobicContact CD2-CD1 4.37Å; Y91-L93 WeakPolarHBondContact O-CD2 3.4Å
92D95.5Very high96.2Very high127 Ų12766 Ų6668%0.67933%0.328SS*.THydrogen-bonded Turntrans53.551.4180-164.332.2000113.1E88 L89E88-D92 PolarHBondContact O-N 3.35Å; E88-D92 VanDerWaalsContact O-N 3.13Å; L89-D92 PolarHBondContact O-N 3.42Å
93L95.8Very high96.2Very high4 Ų461.3 Ų61.32%0.02130%0.303CS..  trans-94.82.4-171.5-50.9177.1000114.4V38 I87 E88 Y91 D95 E96 F98 F148V38-L93 HydrophobicContact CG2-CD1 3.91Å; V38-L93 HydrophobicContact CG2-CD2 4.11Å; I87-L93 HydrophobicContact CG2-CD1 4.37Å; E88-L93 HydrophobicContact CG-CB 4.07Å; E88-L93 PolarHBondContact O-N 3.34Å; Y91-L93 HydrophobicContact CD2-CD1 4.37Å; Y91-L93 WeakPolarHBondContact O-CD2 3.4Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 2.87Å; L93-E96 HydrophobicContact CB-CB 4.32Å; L93-E96 HydrophobicContact CB-CG 4.45Å; L93-E96 HydrophobicContact CD2-CB 4.45Å; L93-E96 HydrophobicContact CD2-CG 4.07Å; L93-E96 WeakPolarHBondContact O-CB 3.17Å; L93-E96 PolarHBondContact O-N 2.87Å; L93-E96 VanDerWaalsContact O-N 3.12Å; L93-F98 HydrophobicContact CD1-CZ 4.17Å; L93-F98 HydrophobicContact CD2-CZ 4.03Å; L93-F148 HydrophobicContact CD1-CE1 4.01Å
94R91.2Very high96.2Very high178 Ų17859.4 Ų59.467%0.67229%0.292SS*.THydrogen-bonded Turntrans-59.5-42.5-171.4-179.1179.3-66.4169.83.5112.9
95D89.5Confident96.2Very high148 Ų14859.5 Ų59.579%0.79129%0.293SS*.THydrogen-bonded Turntrans-99.95.1180-60.4-48.4000112.1L93L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 2.87Å
96E90.9Very high96Very high53 Ų5355.9 Ų55.925%0.24828%0.279CS..  trans-76.5131.8-177.4-74.6-76.2-145.500111.3K9 L93 F98K9-E96 WeakPolarHBondContact CE-OE2 3.26Å; K9-E96 IonicContact NZ-OE1 2.79Å; K9-E96 PolarHBondContact NZ-OE1 3.31Å; K9-E96 IonicContact NZ-OE2 2.59Å; K9-E96 PolarHBondContact NZ-OE2 2.79Å; L93-E96 HydrophobicContact CB-CB 4.32Å; L93-E96 HydrophobicContact CB-CG 4.45Å; L93-E96 HydrophobicContact CD2-CB 4.45Å; L93-E96 HydrophobicContact CD2-CG 4.07Å; L93-E96 WeakPolarHBondContact O-CB 3.17Å; L93-E96 PolarHBondContact O-N 2.87Å; L93-E96 VanDerWaalsContact O-N 3.12Å; E96-F98 HydrophobicContact CB-CE2 4.29Å; E96-F98 HydrophobicContact CB-CZ 4.49Å
97R92.5Very high95.9Very high180 Ų18053.9 Ų53.968%0.67926%0.262SS*.  trans-102.9115.8173.1-66.6-172.2-179.8-89.6-2.3109.3E150R97-E150 IonicContact CZ-OE2 3.83Å; R97-E150 IonicContact NH1-OE2 3.18Å; R97-E150 PolarHBondContact NH1-OE2 3.31Å
98F96.4Very high95.5Very high8 Ų857.4 Ų57.44%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-86.3139.5173.7-65.6-79.9000110.4K9 I11 V38 L93 E96 L100 E150 S151 H152K9-F98 HydrophobicContact CG-CD1 4.04Å; K9-F98 HydrophobicContact CG-CE1 4.38Å; I11-F98 HydrophobicContact CB-CD1 3.87Å; I11-F98 HydrophobicContact CB-CD2 3.81Å; I11-F98 HydrophobicContact CB-CE1 3.86Å; I11-F98 HydrophobicContact CB-CE2 3.81Å; I11-F98 HydrophobicContact CB-CG 3.83Å; I11-F98 HydrophobicContact CB-CZ 3.82Å; I11-F98 HydrophobicContact CD1-CZ 4.41Å; I11-F98 HydrophobicContact CG1-CE2 4.43Å; I11-F98 HydrophobicContact CG1-CZ 4.48Å; I11-F98 HydrophobicContact CG2-CB 4.01Å; I11-F98 HydrophobicContact CG2-CD1 4.17Å; I11-F98 HydrophobicContact CG2-CD2 3.58Å; I11-F98 HydrophobicContact CG2-CE2 4.05Å; I11-F98 HydrophobicContact CG2-CG 3.64Å; V38-F98 HydrophobicContact CG2-CE1 4.34Å; V38-F98 HydrophobicContact CG2-CZ 4.26Å; L93-F98 HydrophobicContact CD1-CZ 4.17Å; L93-F98 HydrophobicContact CD2-CZ 4.03Å; E96-F98 HydrophobicContact CB-CE2 4.29Å; E96-F98 HydrophobicContact CB-CZ 4.49Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-E150 PolarHBondContact N-O 2.95Å; F98-S151 WeakPolarHBondContact O-CA 3.31Å; F98-H152 PolarHBondContact O-N 3.31Å
99E96.4Very high95.2Very high97 Ų9756.4 Ų56.445%0.45329%0.285SS..EExtended strand (participates in β ladder)trans-73.9-28.5171.1-65.8176.192.500110.8R8 K9 E153R8-E99 WeakPolarHBondContact CA-OE2 3.4Å; R8-E99 HydrophobicContact CB-CB 3.93Å; R8-E99 HydrophobicContact CG-CB 4.35Å; K9-E99 PolarHBondContact N-OE2 3.36Å; K9-E99 PolarHBondContact O-N 3.29Å; E99-E153 PolarHBondContact O-N 3.4Å
100L96.9Very high94.7Very high0 Ų052.3 Ų52.30%026%0.264CS..EExtended strand (participates in β ladder)trans-139.7122.8179.6173.965.9000111.7F5 K9 S10 I11 F98 L102 E153 V155F5-L100 HydrophobicContact CD1-CD2 4.22Å; F5-L100 HydrophobicContact CE1-CD2 3.62Å; F5-L100 HydrophobicContact CE2-CD1 4.37Å; F5-L100 HydrophobicContact CE2-CD2 4.39Å; F5-L100 HydrophobicContact CZ-CD1 4.21Å; F5-L100 HydrophobicContact CZ-CD2 3.72Å; K9-L100 PolarHBondContact O-N 2.86Å; S10-L100 CarbonylContact C-O 3.6Å; S10-L100 WeakPolarHBondContact CA-O 3.36Å; S10-L100 WeakPolarHBondContact CB-O 3.25Å; I11-L100 PolarHBondContact N-O 3.49Å; F98-L100 VanDerWaalsContact C-N 3.29Å; L100-L102 HydrophobicContact CD2-CB 4.38Å; L100-L102 HydrophobicContact CG-CB 4.25Å; L100-E153 CarbonylContact C-O 3.52Å; L100-E153 WeakPolarHBondContact CA-O 2.98Å; L100-E153 HydrophobicContact CD1-CB 4.36Å; L100-E153 HydrophobicContact CD1-CG 4.36Å; L100-V155 HydrophobicContact CD1-CB 4.29Å; L100-V155 HydrophobicContact CD1-CG2 3.75Å
101G97.8Very high94.2Very high0 Ų049.5 Ų49.50%024%0.24CC..EExtended strand (participates in β ladder)trans-97.6125160.300000109.6I11 E153 K154 V155I11-G101 WeakPolarHBondContact O-CA 3.39Å; G101-E153 PolarHBondContact N-O 2.8Å; G101-K154 WeakPolarHBondContact O-CA 3.27Å; G101-V155 PolarHBondContact O-N 2.93Å
102L98.4Very high93.8Very high0 Ų048.3 Ų48.30%024%0.238CC..EExtended strand (participates in β ladder)trans-131.1124.5-176.5174.362.6000111.2F5 I11 C12 L13 M29 L100 V104 V155 V157F5-L102 HydrophobicContact CE1-CD2 4.42Å; I11-L102 PolarHBondContact O-N 2.91Å; C12-L102 CarbonylContact C-O 3.52Å; C12-L102 VanDerWaalsContact CA-O 3.24Å; C12-L102 WeakPolarHBondContact CA-O 3.35Å; C12-L102 HydrophobicContact CB-CB 4.46Å; L13-L102 PolarHBondContact N-O 3.48Å; M29-L102 HydrophobicContact CE-CD2 3.7Å; L100-L102 HydrophobicContact CD2-CB 4.38Å; L100-L102 HydrophobicContact CG-CB 4.25Å; L102-V104 HydrophobicContact CD1-CG2 4.11Å; L102-V104 HydrophobicContact CD2-CG2 4.18Å; L102-V104 HydrophobicContact CG-CG2 3.99Å; L102-V155 WeakPolarHBondContact CA-O 3.41Å; L102-V155 HydrophobicContact CD1-CB 3.91Å; L102-V155 HydrophobicContact CD1-CG1 3.85Å; L102-V157 HydrophobicContact CD1-CG2 3.9Å
103I98.7Very high93.6Very high0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-112.4126.7168.9-52.5174.3000108.9L13 H105 T140 N141 F144 W145 V155 I156 V157L13-I103 HydrophobicContact CD2-CG2 4.15Å; L13-I103 CarbonylContact O-C 3.35Å; L13-I103 WeakPolarHBondContact O-CA 3.45Å; I103-H105 VanDerWaalsContact CG2-CE1 3.48Å; I103-H105 WeakPolarHBondContact CG2-CE1 3.2Å; I103-H105 WeakPolarHBondContact CG2-NE2 3.47Å; I103-T140 HydrophobicContact CG2-CG2 4.34Å; I103-N141 WeakPolarHBondContact CD1-OD1 2.96Å; I103-F144 HydrophobicContact CD1-CB 3.71Å; I103-F144 HydrophobicContact CD1-CD1 3.51Å; I103-F144 HydrophobicContact CD1-CE1 4.23Å; I103-F144 HydrophobicContact CD1-CG 3.68Å; I103-F144 HydrophobicContact CG1-CB 4.41Å; I103-F144 HydrophobicContact CG1-CD1 3.64Å; I103-F144 HydrophobicContact CG1-CD2 4.37Å; I103-F144 HydrophobicContact CG1-CE1 3.87Å; I103-F144 HydrophobicContact CG1-CG 3.88Å; I103-F144 HydrophobicContact CG1-CZ 4.32Å; I103-W145 HydrophobicContact CD1-CD2 4.46Å; I103-W145 HydrophobicContact CD1-CZ2 3.79Å; I103-W145 HydrophobicContact CG1-CZ2 4.03Å; I103-V155 PolarHBondContact N-O 2.94Å; I103-I156 CarbonylContact O-C 3.54Å; I103-I156 WeakPolarHBondContact O-CA 3.38Å; I103-V157 PolarHBondContact O-N 2.79Å
104V98.4Very high93.5Very high1 Ų146.7 Ų46.71%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-113101.2174.1-175.40000109L13 M14 T15 M25 L102 N106 V157 M159 F245L13-V104 PolarHBondContact O-N 3.45Å; M14-V104 WeakPolarHBondContact CA-O 3.47Å; M14-V104 HydrophobicContact CB-CB 4.27Å; M14-V104 HydrophobicContact CE-CB 4.36Å; M14-V104 HydrophobicContact CE-CG1 4.36Å; M14-V104 HydrophobicContact CE-CG2 4.42Å; M14-V104 HydrophobicContact CG-CB 4.06Å; M14-V104 HydrophobicContact CG-CG1 4.24Å; T15-V104 PolarHBondContact N-O 3.48Å; M25-V104 HydrophobicContact CE-CG1 4.34Å; L102-V104 HydrophobicContact CD1-CG2 4.11Å; L102-V104 HydrophobicContact CD2-CG2 4.18Å; L102-V104 HydrophobicContact CG-CG2 3.99Å; V104-N106 HydrophobicContact CG1-CB 4.48Å; V104-N106 PolarHBondContact O-N 2.94Å; V104-N106 VanDerWaalsContact O-N 3.11Å; V104-V157 HydrophobicContact CG1-CB 4.45Å; V104-V157 HydrophobicContact CG2-CB 4.32Å; V104-M159 HydrophobicContact CG1-CE 3.47Å; V104-M159 VanDerWaalsContact CG1-CE 3.47Å; V104-F245 HydrophobicContact CG2-CZ 4.4Å
105H97.7Very high93.6Very high2 Ų241 Ų411%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-79.289.9174.3-65.8-65.6000109.6T15 I103 M137 N141 V157 M159 R181T15-H105 WeakPolarHBondContact OG1-CA 3.33Å; I103-H105 VanDerWaalsContact CG2-CE1 3.48Å; I103-H105 WeakPolarHBondContact CG2-CE1 3.2Å; I103-H105 WeakPolarHBondContact CG2-NE2 3.47Å; H105-M137 HydrophobicContact CB-CG 4.25Å; H105-N141 PolarHBondContact NE2-ND2 3.41Å; H105-N141 PolarHBondContact NE2-OD1 3.41Å; H105-N141 VanDerWaalsContact NE2-OD1 3.13Å; H105-V157 PolarHBondContact N-O 2.8Å; H105-M159 WeakPolarHBondContact O-CB 3.1Å; H105-M159 PolarHBondContact O-N 3.07Å; H105-R181 VanDerWaalsContact CB-NH2 3.29Å; H105-R181 PolarHBondContact O-NH2 3.38Å
106N95.8Very high93.7Very high29 Ų2935.5 Ų35.516%0.15518%0.182CC..  trans-104.2-28.6175.3169.288.3000112.9T15 G16 A22 M25 V104 S108 M159T15-N106 CarbonylContact O-C 3.59Å; T15-N106 VanDerWaalsContact O-CB 3.25Å; T15-N106 WeakPolarHBondContact O-CB 3.39Å; T15-N106 PolarHBondContact O-ND2 3.11Å; T15-N106 PolarHBondContact OG1-N 2.61Å; T15-N106 VanDerWaalsContact OG1-N 3.13Å; G16-N106 PolarHBondContact O-ND2 2.84Å; A22-N106 HydrophobicContact CB-CB 4.24Å; A22-N106 WeakPolarHBondContact CB-ND2 3.24Å; M25-N106 HydrophobicContact CE-CB 4.33Å; V104-N106 HydrophobicContact CG1-CB 4.48Å; V104-N106 PolarHBondContact O-N 2.94Å; V104-N106 VanDerWaalsContact O-N 3.11Å; N106-S108 PolarHBondContact O-N 3.43Å; N106-M159 HydrophobicContact CB-CG 3.75Å
107A94.3Very high93.7Very high15 Ų1537.1 Ų37.112%0.12420%0.195CC..  trans-56.6134.2178.500000111.2T15 L72 R181T15-A107 PolarHBondContact O-N 3.26Å; T15-A107 WeakPolarHBondContact OG1-CB 2.96Å; T15-A107 PolarHBondContact OG1-N 2.88Å; L72-A107 HydrophobicContact CD1-CB 3.4Å; L72-A107 VanDerWaalsContact CD1-CB 3.4Å; A107-R181 PolarHBondContact O-NH1 2.9Å
108S91.6Very high93.8Very high74 Ų7436.1 Ų36.152%0.51720%0.201SC..  trans-157.6158.3172.257.20000109.4N106 N133N106-S108 PolarHBondContact O-N 3.43Å; S108-N133 VanDerWaalsContact CA-OD1 3.25Å; S108-N133 WeakPolarHBondContact CA-OD1 3.33Å; S108-N133 WeakPolarHBondContact CB-OD1 3.39Å
109A91.1Very high93.8Very high19 Ų1940.7 Ų40.716%0.15722%0.223CC..  trans-113.6142.1169.600000109.8S111 L129 I132 N133A109-S111 PolarHBondContact O-N 2.89Å; A109-L129 HydrophobicContact CB-CD2 3.78Å; A109-I132 HydrophobicContact CB-CB 4.24Å; A109-I132 HydrophobicContact CB-CD1 3.76Å; A109-I132 HydrophobicContact CB-CG2 3.83Å; A109-N133 PolarHBondContact N-OD1 2.89Å; A109-N133 PolarHBondContact O-ND2 3.36Å; A109-N133 VanDerWaalsContact O-ND2 3.16Å; A109-N133 PolarHBondContact O-OD1 2.95Å
110L87Confident93.6Very high44 Ų4437.8 Ų37.823%0.2321%0.21CC..  trans-59.5129.1165.7-176.156.4000108.2I113 L129 W209 T212 V213L110-I113 HydrophobicContact CD1-CD1 4.26Å; L110-I113 HydrophobicContact CD1-CG2 3.89Å; L110-I113 HydrophobicContact CD2-CD1 3.9Å; L110-I113 HydrophobicContact CD2-CG1 4.45Å; L110-I113 HydrophobicContact CG-CD1 4.4Å; L110-I113 HydrophobicContact CG-CG2 4.5Å; L110-L129 VanDerWaalsContact O-CD2 3.24Å; L110-L129 WeakPolarHBondContact O-CD2 3.13Å; L110-W209 VanDerWaalsContact CB-NE1 3.31Å; L110-W209 HydrophobicContact CD1-CD2 4.31Å; L110-W209 VanDerWaalsContact CD1-CE2 3.43Å; L110-W209 HydrophobicContact CD1-CH2 3.95Å; L110-W209 HydrophobicContact CD1-CZ2 3.23Å; L110-W209 HydrophobicContact CG-CZ2 4.42Å; L110-T212 HydrophobicContact CD2-CG2 3.49Å; L110-T212 VanDerWaalsContact CD2-CG2 3.49Å; L110-V213 HydrophobicContact CD1-CG2 3.65Å; L110-V213 HydrophobicContact CD2-CG2 4.31Å
111S85Confident93.6Very high8 Ų844 Ų446%0.05624%0.243CC..  trans-80.3-179.2178.7-159.60000111.6A109 I113 L173 L174A109-S111 PolarHBondContact O-N 2.89Å; S111-I113 PolarHBondContact O-N 2.89Å; S111-L173 VanDerWaalsContact OG-C 3.31Å; S111-L173 WeakPolarHBondContact OG-CB 3.42Å; S111-L173 WeakPolarHBondContact OG-CD2 3.46Å; S111-L173 WeakPolarHBondContact OG-CG 3.43Å; S111-L174 PolarHBondContact OG-N 3.32Å
112V89.6Confident93.5Very high27 Ų2747.6 Ų47.616%0.16426%0.262CS..  trans-64.6118.1169.7-176.70000108.5D114 K115 M120 L126 L129 L173V112-D114 WeakPolarHBondContact CG1-OD1 3.24Å; V112-K115 HydrophobicContact CG1-CD 4.12Å; V112-K115 HydrophobicContact CG1-CG 3.51Å; V112-M120 HydrophobicContact CB-CE 3.79Å; V112-M120 HydrophobicContact CB-SD 4.34Å; V112-M120 HydrophobicContact CG1-CE 3.81Å; V112-M120 HydrophobicContact CG1-CG 4.26Å; V112-M120 HydrophobicContact CG1-SD 4.48Å; V112-L126 HydrophobicContact CG2-CD2 3.98Å; V112-L129 HydrophobicContact CG2-CD1 3.89Å; V112-L173 HydrophobicContact CG2-CD2 4.39Å
113I90.8Very high93.3Very high7 Ų751.3 Ų51.34%0.03629%0.293CS..  trans-125.8-13.9-177.358.4160.3000113.4L110 S111 L171 V213 N216 A217 K218L110-I113 HydrophobicContact CD1-CD1 4.26Å; L110-I113 HydrophobicContact CD1-CG2 3.89Å; L110-I113 HydrophobicContact CD2-CD1 3.9Å; L110-I113 HydrophobicContact CD2-CG1 4.45Å; L110-I113 HydrophobicContact CG-CD1 4.4Å; L110-I113 HydrophobicContact CG-CG2 4.5Å; S111-I113 PolarHBondContact O-N 2.89Å; I113-L171 HydrophobicContact CB-CD2 4.13Å; I113-L171 HydrophobicContact CG2-CD2 3.66Å; I113-V213 HydrophobicContact CD1-CB 4.29Å; I113-V213 HydrophobicContact CD1-CG1 4.42Å; I113-V213 HydrophobicContact CD1-CG2 4.1Å; I113-N216 HydrophobicContact CD1-CB 4.39Å; I113-A217 HydrophobicContact CD1-CB 4.38Å; I113-A217 CarbonylContact O-C 3.58Å; I113-A217 WeakPolarHBondContact O-CA 3.24Å; I113-K218 PolarHBondContact O-N 3.43Å
114D93Very high93.3Very high90 Ų9057.5 Ų57.548%0.48132%0.322SS..SBendtrans-90-8-170.963.4-36.7000113.3V112 N216 K218V112-D114 WeakPolarHBondContact CG1-OD1 3.24Å; D114-N216 WeakPolarHBondContact CA-O 3.38Å; D114-K218 WeakPolarHBondContact O-CB 3.47Å
115K93.3Very high93.1Very high60 Ų6059.8 Ų59.826%0.26134%0.338SS..SBendtrans-141.1154.9176.564.3176.877.4-178.80112.2V112 E119 M120 D121 S170V112-K115 HydrophobicContact CG1-CD 4.12Å; V112-K115 HydrophobicContact CG1-CG 3.51Å; K115-E119 HydrophobicContact CB-CB 4.25Å; K115-E119 HydrophobicContact CD-CB 4.12Å; K115-E119 VanDerWaalsContact CD-O 3.24Å; K115-E119 WeakPolarHBondContact CD-O 3.25Å; K115-E119 HydrophobicContact CG-CB 4.5Å; K115-M120 HydrophobicContact CD-CG 4.43Å; K115-M120 HydrophobicContact CG-CG 4.4Å; K115-D121 IonicContact NZ-OD1 2.89Å; K115-S170 WeakPolarHBondContact O-CB 3.41Å
116P92.4Very high93Very high31 Ų3161.4 Ų61.420%0.20135%0.347CS..  trans-67.9161.417331.2-36.5000111.8I118 E119 S170P116-I118 HydrophobicContact CB-CG2 4.26Å; P116-I118 HydrophobicContact CG-CG2 4.06Å; P116-I118 PolarHBondContact O-N 2.88Å; P116-E119 VanDerWaalsContact CD-CD 3.47Å; P116-E119 WeakPolarHBondContact CD-OE2 3.46Å; P116-E119 HydrophobicContact CG-CB 4.15Å; P116-E119 HydrophobicContact CG-CG 3.78Å; P116-E119 WeakPolarHBondContact CG-OE1 3.13Å; P116-E119 PolarHBondContact O-N 3.17Å; P116-S170 WeakPolarHBondContact CA-OG 3.47Å
117V91.4Very high93Very high87 Ų8764.9 Ų64.953%0.52736%0.362SS..G310 helixtrans-58.2-35.3-178.71760000112.4E119 M120V117-E119 PolarHBondContact O-N 2.81Å; V117-M120 HydrophobicContact CB-SD 4.48Å; V117-M120 HydrophobicContact CG2-CE 3.99Å; V117-M120 HydrophobicContact CG2-SD 4.35Å; V117-M120 WeakPolarHBondContact O-CB 3.37Å; V117-M120 PolarHBondContact O-N 3.12Å; V117-M120 VanDerWaalsContact O-N 3.15Å
118I94Very high93.1Very high159 Ų15966.2 Ų66.282%0.81537%0.365SS*.G310 helixtrans-65.6-16.7179.5-162.1167.9000113.6P116P116-I118 HydrophobicContact CB-CG2 4.26Å; P116-I118 HydrophobicContact CG-CG2 4.06Å; P116-I118 PolarHBondContact O-N 2.88Å
119E95.4Very high93.3Very high104 Ų10463.9 Ų63.949%0.48635%0.347SS..G310 helixtrans-103.65.6179-67.3171.7-147.500112.5K115 P116 V117 D121K115-E119 HydrophobicContact CB-CB 4.25Å; K115-E119 HydrophobicContact CD-CB 4.12Å; K115-E119 VanDerWaalsContact CD-O 3.24Å; K115-E119 WeakPolarHBondContact CD-O 3.25Å; K115-E119 HydrophobicContact CG-CB 4.5Å; P116-E119 VanDerWaalsContact CD-CD 3.47Å; P116-E119 WeakPolarHBondContact CD-OE2 3.46Å; P116-E119 HydrophobicContact CG-CB 4.15Å; P116-E119 HydrophobicContact CG-CG 3.78Å; P116-E119 WeakPolarHBondContact CG-OE1 3.13Å; P116-E119 PolarHBondContact O-N 3.17Å; V117-E119 PolarHBondContact O-N 2.81Å; E119-D121 PolarHBondContact O-N 2.77Å
120M94Very high93.5Very high37 Ų3765.4 Ų65.418%0.18235%0.352CS..  trans-80.5105.9177.9-64-177.7-176.700110.1V112 K115 V117 L126 L173V112-M120 HydrophobicContact CB-CE 3.79Å; V112-M120 HydrophobicContact CB-SD 4.34Å; V112-M120 HydrophobicContact CG1-CE 3.81Å; V112-M120 HydrophobicContact CG1-CG 4.26Å; V112-M120 HydrophobicContact CG1-SD 4.48Å; K115-M120 HydrophobicContact CD-CG 4.43Å; K115-M120 HydrophobicContact CG-CG 4.4Å; V117-M120 HydrophobicContact CB-SD 4.48Å; V117-M120 HydrophobicContact CG2-CE 3.99Å; V117-M120 HydrophobicContact CG2-SD 4.35Å; V117-M120 WeakPolarHBondContact O-CB 3.37Å; V117-M120 PolarHBondContact O-N 3.12Å; V117-M120 VanDerWaalsContact O-N 3.15Å; M120-L126 HydrophobicContact CB-CD1 4.13Å; M120-L126 HydrophobicContact CB-CD2 4.18Å; M120-L126 HydrophobicContact CG-CD2 4.43Å; M120-L126 HydrophobicContact SD-CD2 4.04Å; M120-L173 HydrophobicContact CE-CB 4.31Å; M120-L173 HydrophobicContact SD-CB 4.25Å
121D94.9Very high94Very high131 Ų13164.5 Ų64.570%0.70135%0.347SS*.  trans-120.3-11.8-171.357.6-11.1000114.6K115 E119 A123K115-D121 IonicContact NZ-OD1 2.89Å; E119-D121 PolarHBondContact O-N 2.77Å; D121-A123 PolarHBondContact O-N 2.83Å
122D95.7Very high94.6Very high75 Ų7565 Ų6540%0.40135%0.35SS..  trans-88.588178.8-176-13.2000112.1Q124 S125 L126D122-Q124 PolarHBondContact O-N 3.28Å; D122-Q124 PolarHBondContact OD1-N 2.76Å; D122-Q124 VanDerWaalsContact OD1-N 3.11Å; D122-S125 VanDerWaalsContact CG-CB 3.44Å; D122-S125 VanDerWaalsContact CG-OG 3.23Å; D122-S125 PolarHBondContact O-N 2.94Å; D122-S125 PolarHBondContact OD1-N 3.07Å; D122-S125 VanDerWaalsContact OD2-CB 3.25Å; D122-S125 WeakPolarHBondContact OD2-CB 3.4Å; D122-S125 PolarHBondContact OD2-OG 3.08Å; D122-L126 WeakPolarHBondContact O-CG 3.48Å; D122-L126 PolarHBondContact O-N 3.39Å; D122-L126 VanDerWaalsContact O-N 3.08Å
123A96.2Very high94.8Very high78 Ų7864.2 Ų64.265%0.64534%0.344SS*.Hα-helixtrans-55.9-35.8-179.800000113.9D121 Q127D121-A123 PolarHBondContact O-N 2.83Å; A123-Q127 WeakPolarHBondContact O-CB 3.36Å; A123-Q127 PolarHBondContact O-N 2.77Å
124Q97.2Very high95Very high130 Ų13064.7 Ų64.761%0.60735%0.348SS*.Hα-helixtrans-69-50.3-178.3-178.6179.8-18.100110.6D122 L126 Q127 E128D122-Q124 PolarHBondContact O-N 3.28Å; D122-Q124 PolarHBondContact OD1-N 2.76Å; D122-Q124 VanDerWaalsContact OD1-N 3.11Å; Q124-L126 VanDerWaalsContact C-N 3.28Å; Q124-L126 PolarHBondContact O-N 3.27Å; Q124-Q127 PolarHBondContact O-N 2.84Å; Q124-Q127 VanDerWaalsContact O-N 3.16Å; Q124-E128 PolarHBondContact NE2-OE1 3.36Å; Q124-E128 VanDerWaalsContact NE2-OE1 3.07Å; Q124-E128 WeakPolarHBondContact O-CG 3.28Å; Q124-E128 PolarHBondContact O-N 2.82Å
125S94.6Very high95.3Very high48 Ų4863.8 Ų63.834%0.33634%0.342SS..Hα-helixtrans-59.9-40.1177.8-700000111.8D122 E128 L129D122-S125 VanDerWaalsContact CG-CB 3.44Å; D122-S125 VanDerWaalsContact CG-OG 3.23Å; D122-S125 PolarHBondContact O-N 2.94Å; D122-S125 PolarHBondContact OD1-N 3.07Å; D122-S125 VanDerWaalsContact OD2-CB 3.25Å; D122-S125 WeakPolarHBondContact OD2-CB 3.4Å; D122-S125 PolarHBondContact OD2-OG 3.08Å; S125-E128 PolarHBondContact O-N 3.4Å; S125-L129 VanDerWaalsContact O-CG 3.29Å; S125-L129 WeakPolarHBondContact O-CG 3.48Å; S125-L129 PolarHBondContact O-N 3.15Å
126L95.2Very high95.5Very high37 Ų3761.1 Ų61.119%0.19433%0.331CS..Hα-helixtrans-64.6-41.3176.9-60.1169.2000111.5V112 M120 D122 Q124 L129 L130 L173V112-L126 HydrophobicContact CG2-CD2 3.98Å; M120-L126 HydrophobicContact CB-CD1 4.13Å; M120-L126 HydrophobicContact CB-CD2 4.18Å; M120-L126 HydrophobicContact CG-CD2 4.43Å; M120-L126 HydrophobicContact SD-CD2 4.04Å; D122-L126 WeakPolarHBondContact O-CG 3.48Å; D122-L126 PolarHBondContact O-N 3.39Å; D122-L126 VanDerWaalsContact O-N 3.08Å; Q124-L126 VanDerWaalsContact C-N 3.28Å; Q124-L126 PolarHBondContact O-N 3.27Å; L126-L129 PolarHBondContact O-N 2.81Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 2.81Å; L126-L130 VanDerWaalsContact O-N 3.07Å; L126-L173 HydrophobicContact CD2-CD2 3.38Å
127Q96.6Very high95.8Very high101 Ų10159.8 Ų59.847%0.47232%0.322SS..Hα-helixtrans-64.4-45176.6-177.164.664.200111.8A123 Q124 L129 L130 N131A123-Q127 WeakPolarHBondContact O-CB 3.36Å; A123-Q127 PolarHBondContact O-N 2.77Å; Q124-Q127 PolarHBondContact O-N 2.84Å; Q124-Q127 VanDerWaalsContact O-N 3.16Å; Q127-L129 VanDerWaalsContact C-N 3.3Å; Q127-L129 PolarHBondContact O-N 2.97Å; Q127-L130 PolarHBondContact O-N 3.49Å; Q127-N131 PolarHBondContact NE2-OD1 3.01Å; Q127-N131 WeakPolarHBondContact O-CB 3.32Å; Q127-N131 PolarHBondContact O-N 3.32Å; Q127-N131 PolarHBondContact O-OD1 3.21Å
128E97Very high96.1Very high43 Ų4358.4 Ų58.420%0.20131%0.314CS..Hα-helixtrans-61.4-39.4177.3-71.3177.6-177.600111.4A73 Y74 Q124 S125 N131 I132A73-E128 HydrophobicContact CB-CB 4.27Å; A73-E128 HydrophobicContact CB-CG 4.38Å; Y74-E128 HydrophobicContact CE1-CG 4.3Å; Y74-E128 PolarHBondContact OH-OE1 3.2Å; Q124-E128 PolarHBondContact NE2-OE1 3.36Å; Q124-E128 VanDerWaalsContact NE2-OE1 3.07Å; Q124-E128 WeakPolarHBondContact O-CG 3.28Å; Q124-E128 PolarHBondContact O-N 2.82Å; S125-E128 PolarHBondContact O-N 3.4Å; E128-N131 WeakPolarHBondContact O-CB 3.39Å; E128-N131 PolarHBondContact O-N 3.45Å; E128-I132 VanDerWaalsContact O-CG1 3.31Å; E128-I132 WeakPolarHBondContact O-CG1 3.34Å; E128-I132 PolarHBondContact O-N 2.71Å
129L95.2Very high96.3Very high25 Ų2552.8 Ų52.813%0.13129%0.285CS..Hα-helixtrans-63.8-41.2174.4-73.8170.7000112.9A109 L110 V112 S125 L126 Q127 N131 N133 L173A109-L129 HydrophobicContact CB-CD2 3.78Å; L110-L129 VanDerWaalsContact O-CD2 3.24Å; L110-L129 WeakPolarHBondContact O-CD2 3.13Å; V112-L129 HydrophobicContact CG2-CD1 3.89Å; S125-L129 VanDerWaalsContact O-CG 3.29Å; S125-L129 WeakPolarHBondContact O-CG 3.48Å; S125-L129 PolarHBondContact O-N 3.15Å; L126-L129 PolarHBondContact O-N 2.81Å; Q127-L129 VanDerWaalsContact C-N 3.3Å; Q127-L129 PolarHBondContact O-N 2.97Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N133 VanDerWaalsContact O-CB 3.3Å; L129-N133 WeakPolarHBondContact O-CB 3.42Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-N133 PolarHBondContact O-ND2 3.02Å; L129-N133 VanDerWaalsContact O-ND2 3.15Å; L129-L173 HydrophobicContact CB-CD2 4.39Å; L129-L173 HydrophobicContact CD1-CD2 3.81Å
130L95.7Very high96.5Very high52 Ų5247.9 Ų47.927%0.27226%0.262SS..Hα-helixtrans-68.2-35.6174.5-71.1175.3000111.7L126 Q127 V134 I135 L173 V176L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 2.81Å; L126-L130 VanDerWaalsContact O-N 3.07Å; Q127-L130 PolarHBondContact O-N 3.49Å; L130-V134 WeakPolarHBondContact O-CA 3.37Å; L130-V134 WeakPolarHBondContact O-CB 3.49Å; L130-V134 PolarHBondContact O-N 2.91Å; L130-I135 PolarHBondContact O-N 3.1Å; L130-I135 VanDerWaalsContact O-N 3.13Å; L130-L173 HydrophobicContact CD2-CD1 4.05Å; L130-L173 HydrophobicContact CG-CD1 4.38Å; L130-V176 HydrophobicContact CD2-CG1 3.8Å
131N97.8Very high96.7Very high24 Ų2446.4 Ų46.413%0.12826%0.255CS..Iπ-helixtrans-61.3-51.2174.9-74.4-5.7000111.2L72 A73 P75 Q127 E128 L129 I135 S136L72-N131 CarbonylContact O-C 3.26Å; L72-N131 VanDerWaalsContact O-C 3.26Å; A73-N131 WeakPolarHBondContact O-CB 3.45Å; A73-N131 PolarHBondContact O-ND2 3.11Å; P75-N131 HydrophobicContact CG-CB 3.97Å; Q127-N131 PolarHBondContact NE2-OD1 3.01Å; Q127-N131 WeakPolarHBondContact O-CB 3.32Å; Q127-N131 PolarHBondContact O-N 3.32Å; Q127-N131 PolarHBondContact O-OD1 3.21Å; E128-N131 WeakPolarHBondContact O-CB 3.39Å; E128-N131 PolarHBondContact O-N 3.45Å; L129-N131 VanDerWaalsContact C-N 3.34Å; N131-I135 PolarHBondContact O-N 3.46Å; N131-S136 WeakPolarHBondContact O-CB 3.44Å; N131-S136 PolarHBondContact O-N 2.98Å; N131-S136 PolarHBondContact O-OG 2.88Å
132I96.2Very high96.9Very high20 Ų2042.6 Ų42.610%0.10324%0.241CC..Iπ-helixtrans-62.2-50.1179.2-64.4163.9000110.4L72 A73 A109 E128 S136L72-I132 HydrophobicContact CB-CB 4.43Å; L72-I132 HydrophobicContact CB-CG1 4.23Å; L72-I132 HydrophobicContact CB-CG2 4.35Å; L72-I132 WeakPolarHBondContact O-CA 3.19Å; L72-I132 PolarHBondContact O-N 2.88Å; A73-I132 HydrophobicContact CB-CD1 4.03Å; A73-I132 HydrophobicContact CB-CG1 4Å; A109-I132 HydrophobicContact CB-CB 4.24Å; A109-I132 HydrophobicContact CB-CD1 3.76Å; A109-I132 HydrophobicContact CB-CG2 3.83Å; E128-I132 VanDerWaalsContact O-CG1 3.31Å; E128-I132 WeakPolarHBondContact O-CG1 3.34Å; E128-I132 PolarHBondContact O-N 2.71Å; I132-S136 PolarHBondContact O-OG 3.37Å
133N94.2Very high97Very high10 Ų1039 Ų395%0.05322%0.222CC..Iπ-helixtrans-82.7-24.6-168.7-70.6-43.1000113.7S108 A109 L129 R181S108-N133 VanDerWaalsContact CA-OD1 3.25Å; S108-N133 WeakPolarHBondContact CA-OD1 3.33Å; S108-N133 WeakPolarHBondContact CB-OD1 3.39Å; A109-N133 PolarHBondContact N-OD1 2.89Å; A109-N133 PolarHBondContact O-ND2 3.36Å; A109-N133 VanDerWaalsContact O-ND2 3.16Å; A109-N133 PolarHBondContact O-OD1 2.95Å; L129-N133 VanDerWaalsContact O-CB 3.3Å; L129-N133 WeakPolarHBondContact O-CB 3.42Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-N133 PolarHBondContact O-ND2 3.02Å; L129-N133 VanDerWaalsContact O-ND2 3.15Å; N133-R181 WeakPolarHBondContact O-CD 3.26Å; N133-R181 WeakPolarHBondContact O-CG 3.25Å
134V95.7Very high97.1Very high17 Ų1735.3 Ų35.310%0.10319%0.192CC..Iπ-helixtrans-127.5-61.7-172.8-172.30000111.9L130 S136 M137 V138L130-V134 WeakPolarHBondContact O-CA 3.37Å; L130-V134 WeakPolarHBondContact O-CB 3.49Å; L130-V134 PolarHBondContact O-N 2.91Å; V134-S136 PolarHBondContact O-N 3.29Å; V134-M137 WeakPolarHBondContact O-CB 3.36Å; V134-M137 PolarHBondContact O-N 2.89Å; V134-V138 PolarHBondContact O-N 2.87Å
135I98Very high97.1Very high71 Ų7130.6 Ų30.636%0.36417%0.168SC..Iπ-helixtrans-63.9-44.3-168.5-53.8-56.6000111.5P75 L130 N131 M137 V138 L139P75-I135 HydrophobicContact CG-CB 4.38Å; P75-I135 HydrophobicContact CG-CG2 4.04Å; L130-I135 PolarHBondContact O-N 3.1Å; L130-I135 VanDerWaalsContact O-N 3.13Å; N131-I135 PolarHBondContact O-N 3.46Å; I135-M137 VanDerWaalsContact C-N 3.27Å; I135-M137 PolarHBondContact O-N 3.4Å; I135-V138 WeakPolarHBondContact O-CB 3.49Å; I135-V138 PolarHBondContact O-N 3.13Å; I135-V138 VanDerWaalsContact O-N 3.14Å; I135-L139 HydrophobicContact CG2-CD1 4.35Å; I135-L139 HydrophobicContact CG2-CG 4.26Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.03Å
136S98.2Very high97.2Very high3 Ų333.6 Ų33.62%0.02118%0.175CC..Hα-helixtrans-61.6-35.5-179.773.20000112.7N131 I132 V134 L139 T140N131-S136 WeakPolarHBondContact O-CB 3.44Å; N131-S136 PolarHBondContact O-N 2.98Å; N131-S136 PolarHBondContact O-OG 2.88Å; I132-S136 PolarHBondContact O-OG 3.37Å; V134-S136 PolarHBondContact O-N 3.29Å; S136-L139 PolarHBondContact O-N 3.13Å; S136-T140 VanDerWaalsContact O-CB 3.24Å; S136-T140 WeakPolarHBondContact O-CB 3.26Å; S136-T140 PolarHBondContact O-N 3.25Å; S136-T140 PolarHBondContact O-OG1 3.47Å
137M97.7Very high97.3Very high4 Ų432.6 Ų32.62%0.0217%0.171CC..Hα-helixtrans-65-44175.5173.6-80.3-61.500110.6H105 V134 I135 T140 N141 R181 V184 L185H105-M137 HydrophobicContact CB-CG 4.25Å; V134-M137 WeakPolarHBondContact O-CB 3.36Å; V134-M137 PolarHBondContact O-N 2.89Å; I135-M137 VanDerWaalsContact C-N 3.27Å; I135-M137 PolarHBondContact O-N 3.4Å; M137-T140 PolarHBondContact O-N 3.05Å; M137-N141 PolarHBondContact O-N 3.04Å; M137-N141 VanDerWaalsContact O-N 3.12Å; M137-N141 PolarHBondContact O-ND2 2.94Å; M137-N141 PolarHBondContact SD-ND2 3.22Å; M137-N141 VanDerWaalsContact SD-ND2 3.44Å; M137-R181 HydrophobicContact CE-CB 4.01Å; M137-R181 HydrophobicContact CE-CG 3.81Å; M137-V184 HydrophobicContact CE-CB 4.47Å; M137-V184 HydrophobicContact CE-CG1 4.48Å; M137-L185 HydrophobicContact CE-CG 4.36Å; M137-L185 HydrophobicContact SD-CD1 4.09Å; M137-L185 HydrophobicContact SD-CD2 3.7Å; M137-L185 HydrophobicContact SD-CG 3.83Å
138V98.4Very high97.3Very high58 Ų5828.2 Ų28.235%0.35215%0.15SC..Hα-helixtrans-60.6-51.4174.9178.60000111.1V134 I135 T140 N141 A142 V184V134-V138 PolarHBondContact O-N 2.87Å; I135-V138 WeakPolarHBondContact O-CB 3.49Å; I135-V138 PolarHBondContact O-N 3.13Å; I135-V138 VanDerWaalsContact O-N 3.14Å; V138-T140 VanDerWaalsContact C-N 3.29Å; V138-T140 PolarHBondContact O-N 3.07Å; V138-N141 PolarHBondContact O-N 2.93Å; V138-A142 PolarHBondContact O-N 2.87Å; V138-A142 VanDerWaalsContact O-N 3.09Å; V138-V184 HydrophobicContact CG2-CG1 3.86Å
139L98.7Very high97Very high41 Ų4132 Ų3222%0.21517%0.166CC..Hα-helixtrans-64-34.7-179.9-62.8-167.5000112.4P75 F77 F80 I135 S136 A142 A143P75-L139 HydrophobicContact CB-CD1 3.99Å; F77-L139 HydrophobicContact CB-CD1 4.28Å; F77-L139 HydrophobicContact CB-CD2 4.41Å; F80-L139 HydrophobicContact CD2-CB 3.98Å; F80-L139 HydrophobicContact CE2-CB 3.95Å; I135-L139 HydrophobicContact CG2-CD1 4.35Å; I135-L139 HydrophobicContact CG2-CG 4.26Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.03Å; S136-L139 PolarHBondContact O-N 3.13Å; L139-A142 PolarHBondContact O-N 2.66Å; L139-A143 VanDerWaalsContact O-CB 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.19Å; L139-A143 PolarHBondContact O-N 2.92Å
140T98.7Very high96.6Very high1 Ų136 Ų361%0.00618%0.184CC..Hα-helixtrans-62.5-45.8176.3-63.40000110.9L13 T15 W70 I103 S136 M137 V138 A143 F144L13-T140 HydrophobicContact CD1-CG2 4.43Å; L13-T140 HydrophobicContact CD2-CG2 3.75Å; T15-T140 HydrophobicContact CG2-CG2 4.4Å; W70-T140 HydrophobicContact CZ3-CG2 4.1Å; I103-T140 HydrophobicContact CG2-CG2 4.34Å; S136-T140 VanDerWaalsContact O-CB 3.24Å; S136-T140 WeakPolarHBondContact O-CB 3.26Å; S136-T140 PolarHBondContact O-N 3.25Å; S136-T140 PolarHBondContact O-OG1 3.47Å; M137-T140 PolarHBondContact O-N 3.05Å; V138-T140 VanDerWaalsContact C-N 3.29Å; V138-T140 PolarHBondContact O-N 3.07Å; T140-A143 PolarHBondContact O-N 2.87Å; T140-F144 WeakPolarHBondContact O-CB 3.26Å; T140-F144 PolarHBondContact O-N 3.31Å
141N98.6Very high96.5Very high6 Ų634.2 Ų34.23%0.03218%0.176CC..Hα-helixtrans-61.4-48.3176-70.3-64.8000111.1I103 H105 M137 V138 A143 F144 W145 I156 L188I103-N141 WeakPolarHBondContact CD1-OD1 2.96Å; H105-N141 PolarHBondContact NE2-ND2 3.41Å; H105-N141 PolarHBondContact NE2-OD1 3.41Å; H105-N141 VanDerWaalsContact NE2-OD1 3.13Å; M137-N141 PolarHBondContact O-N 3.04Å; M137-N141 VanDerWaalsContact O-N 3.12Å; M137-N141 PolarHBondContact O-ND2 2.94Å; M137-N141 PolarHBondContact SD-ND2 3.22Å; M137-N141 VanDerWaalsContact SD-ND2 3.44Å; V138-N141 PolarHBondContact O-N 2.93Å; N141-A143 VanDerWaalsContact C-N 3.34Å; N141-A143 PolarHBondContact O-N 2.94Å; N141-F144 PolarHBondContact O-N 2.8Å; N141-W145 PolarHBondContact O-N 2.86Å; N141-I156 VanDerWaalsContact OD1-CD1 3.26Å; N141-I156 WeakPolarHBondContact OD1-CD1 3.48Å; N141-L188 HydrophobicContact CB-CD1 4.22Å
142A98.4Very high96.2Very high50 Ų5041.5 Ų41.541%0.41321%0.209SC..Hα-helixtrans-60.1-43.3179.800000112.1F77 V138 L139 K146F77-A142 HydrophobicContact CD2-CB 4.39Å; F77-A142 HydrophobicContact CE2-CB 3.86Å; V138-A142 PolarHBondContact O-N 2.87Å; V138-A142 VanDerWaalsContact O-N 3.09Å; L139-A142 PolarHBondContact O-N 2.66Å; A142-K146 WeakPolarHBondContact O-CB 3.33Å; A142-K146 PolarHBondContact O-N 3.36Å; A142-K146 VanDerWaalsContact O-N 3.13Å
143A98.7Very high96.1Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-70-46.6179.800000111.8F77 F80 V81 L84 L139 T140 N141 K146 V147F77-A143 HydrophobicContact CD2-CB 4.22Å; F77-A143 HydrophobicContact CE2-CB 4.1Å; F80-A143 HydrophobicContact CB-CB 3.66Å; V81-A143 HydrophobicContact CG2-CB 3.74Å; L84-A143 HydrophobicContact CD1-CB 3.97Å; L139-A143 VanDerWaalsContact O-CB 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.19Å; L139-A143 PolarHBondContact O-N 2.92Å; T140-A143 PolarHBondContact O-N 2.87Å; N141-A143 VanDerWaalsContact C-N 3.34Å; N141-A143 PolarHBondContact O-N 2.94Å; A143-K146 PolarHBondContact O-N 3.29Å; A143-V147 PolarHBondContact O-N 3.43Å; A143-V147 VanDerWaalsContact O-N 3.17Å
144F98.5Very high96.3Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-61.2-51.3-178.9-173.1-89000111.8I11 L13 L84 I103 T140 N141 K146 V147 F148I11-F144 HydrophobicContact CB-CZ 4.39Å; I11-F144 HydrophobicContact CG1-CE2 3.96Å; I11-F144 HydrophobicContact CG1-CZ 3.74Å; I11-F144 HydrophobicContact CG2-CZ 3.99Å; L13-F144 HydrophobicContact CB-CD2 3.83Å; L13-F144 HydrophobicContact CB-CE2 3.64Å; L13-F144 HydrophobicContact CD1-CD2 3.86Å; L13-F144 HydrophobicContact CD1-CE2 4.4Å; L13-F144 HydrophobicContact CG-CD2 4.48Å; L84-F144 HydrophobicContact CD1-CB 4.3Å; L84-F144 HydrophobicContact CD2-CD2 4.33Å; I103-F144 HydrophobicContact CD1-CB 3.71Å; I103-F144 HydrophobicContact CD1-CD1 3.51Å; I103-F144 HydrophobicContact CD1-CE1 4.23Å; I103-F144 HydrophobicContact CD1-CG 3.68Å; I103-F144 HydrophobicContact CG1-CB 4.41Å; I103-F144 HydrophobicContact CG1-CD1 3.64Å; I103-F144 HydrophobicContact CG1-CD2 4.37Å; I103-F144 HydrophobicContact CG1-CE1 3.87Å; I103-F144 HydrophobicContact CG1-CG 3.88Å; I103-F144 HydrophobicContact CG1-CZ 4.32Å; T140-F144 WeakPolarHBondContact O-CB 3.26Å; T140-F144 PolarHBondContact O-N 3.31Å; N141-F144 PolarHBondContact O-N 2.8Å; F144-K146 VanDerWaalsContact C-N 3.27Å; F144-K146 PolarHBondContact O-N 2.8Å; F144-V147 PolarHBondContact O-N 2.66Å; F144-F148 AromaticContact CD2-CD2 3.82Å; F144-F148 HydrophobicContact CD2-CD2 3.82Å; F144-F148 HydrophobicContact CD2-CE2 4.3Å; F144-F148 HydrophobicContact CE1-CB 4.33Å; F144-F148 HydrophobicContact CE1-CD2 4.45Å; F144-F148 AromaticContact CE2-CD2 3.67Å; F144-F148 HydrophobicContact CE2-CD2 3.67Å; F144-F148 HydrophobicContact CE2-CE2 4.16Å; F144-F148 HydrophobicContact CG-CD2 4.29Å; F144-F148 HydrophobicContact CZ-CB 4.49Å; F144-F148 HydrophobicContact CZ-CD2 4.03Å; F144-F148 PolarHBondContact O-N 3.05Å
145W97.1Very high96.4Very high32 Ų3241.9 Ų41.912%0.12121%0.208CC..Hα-helixtrans-72.6-19.7179.8-59.9128.1000113.3I103 N141 K149 K154 I156I103-W145 HydrophobicContact CD1-CD2 4.46Å; I103-W145 HydrophobicContact CD1-CZ2 3.79Å; I103-W145 HydrophobicContact CG1-CZ2 4.03Å; N141-W145 PolarHBondContact O-N 2.86Å; W145-K149 WeakPolarHBondContact O-CG 3.41Å; W145-K154 HydrophobicContact CE3-CD 4.03Å; W145-K154 HydrophobicContact CE3-CG 4.33Å; W145-K154 HydrophobicContact CH2-CB 3.69Å; W145-K154 HydrophobicContact CH2-CD 4.27Å; W145-K154 HydrophobicContact CH2-CG 3.79Å; W145-K154 HydrophobicContact CZ2-CB 4.12Å; W145-K154 HydrophobicContact CZ3-CB 4.11Å; W145-K154 HydrophobicContact CZ3-CD 3.88Å; W145-K154 HydrophobicContact CZ3-CG 3.67Å; W145-I156 HydrophobicContact CZ2-CG1 4.14Å
146K96.6Very high96.5Very high110 Ų11038.5 Ų38.548%0.47819%0.191SC..Hα-helixtrans-70.3-34.4170.5179.6170.8-175.7172.50112.6F77 V81 A142 A143 F144 K149F77-K146 HydrophobicContact CE1-CD 4.34Å; F77-K146 HydrophobicContact CZ-CD 3.65Å; V81-K146 HydrophobicContact CG2-CD 4.28Å; A142-K146 WeakPolarHBondContact O-CB 3.33Å; A142-K146 PolarHBondContact O-N 3.36Å; A142-K146 VanDerWaalsContact O-N 3.13Å; A143-K146 PolarHBondContact O-N 3.29Å; F144-K146 VanDerWaalsContact C-N 3.27Å; F144-K146 PolarHBondContact O-N 2.8Å; K146-K149 WeakPolarHBondContact O-CE 3.47Å
147V97.4Very high96.5Very high16 Ų1638.3 Ų38.310%0.09719%0.19CC..Hα-helixtrans-88.1-57.6179.4178.60000110.2V81 L84 K85 E88 A143 F144 K149V81-V147 HydrophobicContact CG1-CG2 4.29Å; L84-V147 HydrophobicContact CB-CB 4.2Å; L84-V147 HydrophobicContact CB-CG1 4.21Å; L84-V147 HydrophobicContact CB-CG2 3.92Å; K85-V147 HydrophobicContact CG-CG1 4.42Å; K85-V147 HydrophobicContact CG-CG2 3.98Å; E88-V147 HydrophobicContact CB-CG1 4.28Å; A143-V147 PolarHBondContact O-N 3.43Å; A143-V147 VanDerWaalsContact O-N 3.17Å; F144-V147 PolarHBondContact O-N 2.66Å; V147-K149 PolarHBondContact O-N 3.11Å
148F96Very high96.5Very high9 Ų938.2 Ų38.24%0.03919%0.189CC..  trans-96.165.8-175.9-54.7-64.3000111.7I11 I40 L84 E88 L93 F144I11-F148 HydrophobicContact CD1-CD2 4.44Å; I11-F148 HydrophobicContact CD1-CE1 4.28Å; I11-F148 HydrophobicContact CD1-CE2 4.15Å; I11-F148 HydrophobicContact CD1-CZ 4.08Å; I11-F148 HydrophobicContact CG1-CB 4.49Å; I11-F148 HydrophobicContact CG1-CD1 4.15Å; I11-F148 HydrophobicContact CG1-CD2 3.88Å; I11-F148 HydrophobicContact CG1-CE1 4.37Å; I11-F148 HydrophobicContact CG1-CE2 4.09Å; I11-F148 HydrophobicContact CG1-CG 3.9Å; I11-F148 HydrophobicContact CG1-CZ 4.34Å; I11-F148 HydrophobicContact CG2-CB 4.28Å; I40-F148 HydrophobicContact CD1-CE2 4.12Å; I40-F148 HydrophobicContact CD1-CZ 4.49Å; L84-F148 HydrophobicContact CB-CE2 4.16Å; L84-F148 HydrophobicContact CD2-CE2 3.93Å; E88-F148 HydrophobicContact CB-CE1 4.15Å; L93-F148 HydrophobicContact CD1-CE1 4.01Å; F144-F148 AromaticContact CD2-CD2 3.82Å; F144-F148 HydrophobicContact CD2-CD2 3.82Å; F144-F148 HydrophobicContact CD2-CE2 4.3Å; F144-F148 HydrophobicContact CE1-CB 4.33Å; F144-F148 HydrophobicContact CE1-CD2 4.45Å; F144-F148 AromaticContact CE2-CD2 3.67Å; F144-F148 HydrophobicContact CE2-CD2 3.67Å; F144-F148 HydrophobicContact CE2-CE2 4.16Å; F144-F148 HydrophobicContact CG-CD2 4.29Å; F144-F148 HydrophobicContact CZ-CB 4.49Å; F144-F148 HydrophobicContact CZ-CD2 4.03Å; F144-F148 PolarHBondContact O-N 3.05Å
149K91.1Very high96.3Very high124 Ų12436.4 Ų36.454%0.53918%0.177SC..  trans-67.6-39.5-176.5-66.6176.3-176.6-1770113.2W145 K146 V147 S151 K154W145-K149 WeakPolarHBondContact O-CG 3.41Å; K146-K149 WeakPolarHBondContact O-CE 3.47Å; V147-K149 PolarHBondContact O-N 3.11Å; K149-S151 PolarHBondContact O-N 3.3Å; K149-K154 WeakPolarHBondContact O-CE 3.43Å; K149-K154 PolarHBondContact O-NZ 2.72Å
150E87.3Confident95.8Very high108 Ų10835 Ų3551%0.50517%0.171SC..  trans-88.685.3-170.4-59.9-63.7125.700110.2R97 F98R97-E150 IonicContact CZ-OE2 3.83Å; R97-E150 IonicContact NH1-OE2 3.18Å; R97-E150 PolarHBondContact NH1-OE2 3.31Å; F98-E150 PolarHBondContact N-O 2.95Å
151S92.2Very high94.8Very high14 Ų1435.7 Ų35.710%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-133.2130.9168-650000109.3F98 K149F98-S151 WeakPolarHBondContact O-CA 3.31Å; K149-S151 PolarHBondContact O-N 3.3Å
152H92.6Very high93.3Very high177 Ų17736 Ų3682%0.81918%0.18SC*.EExtended strand (participates in β ladder)trans-63.2-46.5-178.1177.6-97.5000111.7F98F98-H152 PolarHBondContact O-N 3.31Å
153E95.1Very high91.3Very high21 Ų2136.9 Ų36.910%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-113.5136.7168.7-172.9169.6-174.400110.3R8 E99 L100 G101 V155 K196 N252R8-E153 IonicContact CZ-OE2 2.87Å; R8-E153 IonicContact NH1-OE2 2.64Å; R8-E153 PolarHBondContact NH1-OE2 3.02Å; R8-E153 IonicContact NH2-OE2 3.8Å; R8-E153 PolarHBondContact NH2-OE2 2.7Å; E99-E153 PolarHBondContact O-N 3.4Å; L100-E153 CarbonylContact C-O 3.52Å; L100-E153 WeakPolarHBondContact CA-O 2.98Å; L100-E153 HydrophobicContact CD1-CB 4.36Å; L100-E153 HydrophobicContact CD1-CG 4.36Å; G101-E153 PolarHBondContact N-O 2.8Å; E153-V155 HydrophobicContact CG-CG2 4.02Å; E153-K196 WeakPolarHBondContact OE1-CD 3.45Å; E153-K196 WeakPolarHBondContact OE1-CE 3.45Å; E153-K196 IonicContact OE1-NZ 2.72Å; E153-K196 PolarHBondContact OE1-NZ 2.82Å; E153-N252 PolarHBondContact OE1-OD1 3.41Å
154K97.5Very high89.2Confident34 Ų3442.3 Ų42.315%0.14821%0.21CC..EExtended strand (participates in β ladder)trans-119.2126.7177.5-64.6178.1-176172.80109.5G101 W145 K149 E194 I195 K196G101-K154 WeakPolarHBondContact O-CA 3.27Å; W145-K154 HydrophobicContact CE3-CD 4.03Å; W145-K154 HydrophobicContact CE3-CG 4.33Å; W145-K154 HydrophobicContact CH2-CB 3.69Å; W145-K154 HydrophobicContact CH2-CD 4.27Å; W145-K154 HydrophobicContact CH2-CG 3.79Å; W145-K154 HydrophobicContact CZ2-CB 4.12Å; W145-K154 HydrophobicContact CZ3-CB 4.11Å; W145-K154 HydrophobicContact CZ3-CD 3.88Å; W145-K154 HydrophobicContact CZ3-CG 3.67Å; K149-K154 WeakPolarHBondContact O-CE 3.43Å; K149-K154 PolarHBondContact O-NZ 2.72Å; K154-E194 HydrophobicContact CD-CG 4.47Å; K154-I195 HydrophobicContact CB-CB 4.34Å; K154-I195 HydrophobicContact CB-CG1 3.91Å; K154-I195 HydrophobicContact CB-CG2 4.31Å; K154-I195 HydrophobicContact CD-CD1 4.38Å; K154-I195 HydrophobicContact CD-CG1 3.96Å; K154-K196 PolarHBondContact O-N 3.41Å
155V98.3Very high87.3Confident0 Ų044.7 Ų44.70%022%0.223CC..EExtended strand (participates in β ladder)trans-131.8131.9-177.3-176.50000110.1F5 L100 G101 L102 I103 E153 V157 K196 I254F5-V155 HydrophobicContact CE2-CG2 4.08Å; F5-V155 HydrophobicContact CZ-CG2 4.45Å; L100-V155 HydrophobicContact CD1-CB 4.29Å; L100-V155 HydrophobicContact CD1-CG2 3.75Å; G101-V155 PolarHBondContact O-N 2.93Å; L102-V155 WeakPolarHBondContact CA-O 3.41Å; L102-V155 HydrophobicContact CD1-CB 3.91Å; L102-V155 HydrophobicContact CD1-CG1 3.85Å; I103-V155 PolarHBondContact N-O 2.94Å; E153-V155 HydrophobicContact CG-CG2 4.02Å; V155-V157 HydrophobicContact CG1-CG2 4.18Å; V155-K196 CarbonylContact C-O 3.49Å; V155-K196 VanDerWaalsContact CA-O 3.31Å; V155-K196 WeakPolarHBondContact CA-O 3.45Å; V155-K196 HydrophobicContact CG2-CB 4.41Å; V155-I254 HydrophobicContact CG1-CD1 3.74Å; V155-I254 HydrophobicContact CG2-CD1 4.45Å
156I98.7Very high85.5Confident0 Ų043.3 Ų43.30%022%0.218CC..EExtended strand (participates in β ladder)trans-115.5123.1169.1-59.6166.3000107.9I103 N141 W145 L185 L188 I195 K196 V197 L198I103-I156 CarbonylContact O-C 3.54Å; I103-I156 WeakPolarHBondContact O-CA 3.38Å; N141-I156 VanDerWaalsContact OD1-CD1 3.26Å; N141-I156 WeakPolarHBondContact OD1-CD1 3.48Å; W145-I156 HydrophobicContact CZ2-CG1 4.14Å; I156-L185 HydrophobicContact CD1-CD2 4.35Å; I156-L185 HydrophobicContact CG2-CD1 4.25Å; I156-L185 HydrophobicContact CG2-CD2 3.97Å; I156-L188 HydrophobicContact CD1-CD1 4.14Å; I156-L188 HydrophobicContact CD1-CD2 3.62Å; I156-I195 HydrophobicContact CD1-CG2 3.62Å; I156-I195 HydrophobicContact CG1-CG2 3.87Å; I156-K196 PolarHBondContact N-O 3.44Å; I156-V197 HydrophobicContact CB-CG2 4.26Å; I156-V197 HydrophobicContact CD1-CG2 4.41Å; I156-V197 CarbonylContact O-C 3.5Å; I156-V197 WeakPolarHBondContact O-CA 3.5Å; I156-L198 PolarHBondContact O-N 3Å
157V98.5Very high84.3Confident0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-105.2122.7170.6-177.50000108.8L102 I103 V104 H105 V155 M159 L198 F200 F245 L249L102-V157 HydrophobicContact CD1-CG2 3.9Å; I103-V157 PolarHBondContact O-N 2.79Å; V104-V157 HydrophobicContact CG1-CB 4.45Å; V104-V157 HydrophobicContact CG2-CB 4.32Å; H105-V157 PolarHBondContact N-O 2.8Å; V155-V157 HydrophobicContact CG1-CG2 4.18Å; V157-M159 HydrophobicContact CG1-CE 3.65Å; V157-L198 WeakPolarHBondContact CA-O 3.18Å; V157-L198 HydrophobicContact CG1-CD2 4.36Å; V157-L198 HydrophobicContact CG2-CB 4.34Å; V157-L198 HydrophobicContact CG2-CD2 4.24Å; V157-F200 HydrophobicContact CG1-CB 4.08Å; V157-F245 HydrophobicContact CB-CE2 4.41Å; V157-F245 HydrophobicContact CG1-CE2 3.66Å; V157-F245 HydrophobicContact CG1-CZ 4.22Å; V157-F245 HydrophobicContact CG2-CE2 4.14Å; V157-F245 HydrophobicContact CG2-CZ 4.3Å; V157-L249 HydrophobicContact CG2-CD2 4.36Å
158N97.5Very high83.5Confident2 Ų244.3 Ų44.31%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-97.3119.3168-176.741.4000109.1A160 R181 L185 L198 H199 F200N158-A160 VanDerWaalsContact C-N 3.31Å; N158-A160 PolarHBondContact O-N 3.02Å; N158-R181 PolarHBondContact OD1-NE 3.13Å; N158-R181 PolarHBondContact OD1-NH2 3.1Å; N158-L185 HydrophobicContact CB-CD1 3.63Å; N158-L198 PolarHBondContact N-O 3.14Å; N158-H199 WeakPolarHBondContact CB-ND1 3.3Å; N158-H199 PolarHBondContact ND2-ND1 3.22Å; N158-F200 PolarHBondContact O-N 3.09Å
159M95Very high82.9Confident19 Ų1947.9 Ų47.99%0.09425%0.254CS..EExtended strand (participates in β ladder)trans-70.594.2164.8-63.3-61.6150.600108.3L21 M25 V104 H105 N106 V157 F200 F245L21-M159 HydrophobicContact CD2-SD 4.22Å; M25-M159 HydrophobicContact CE-CE 3.73Å; M25-M159 HydrophobicContact CE-SD 4.32Å; M25-M159 HydrophobicContact SD-CE 3.53Å; M25-M159 VanDerWaalsContact SD-CE 3.53Å; M25-M159 HydrophobicContact SD-SD 4.34Å; V104-M159 HydrophobicContact CG1-CE 3.47Å; V104-M159 VanDerWaalsContact CG1-CE 3.47Å; H105-M159 WeakPolarHBondContact O-CB 3.1Å; H105-M159 PolarHBondContact O-N 3.07Å; N106-M159 HydrophobicContact CB-CG 3.75Å; V157-M159 HydrophobicContact CG1-CE 3.65Å; M159-F200 CarbonylContact C-O 3.57Å; M159-F200 WeakPolarHBondContact CA-O 3.09Å; M159-F200 HydrophobicContact SD-CB 4.41Å; M159-F200 HydrophobicContact SD-CD1 4.02Å; M159-F245 HydrophobicContact CE-CD2 4.01Å; M159-F245 HydrophobicContact CE-CE1 4.45Å; M159-F245 HydrophobicContact CE-CE2 3.73Å; M159-F245 HydrophobicContact CE-CG 4.49Å; M159-F245 HydrophobicContact CE-CZ 3.93Å
160A87.5Confident82.7Confident11 Ų1142.6 Ų42.69%0.09123%0.233CC..  trans-86.5171.2-176.400000110.9N158 H199 F200 Q201 P202N158-A160 VanDerWaalsContact C-N 3.31Å; N158-A160 PolarHBondContact O-N 3.02Å; A160-H199 HydrophobicContact CB-CB 3.97Å; A160-F200 PolarHBondContact N-O 3.4Å; A160-Q201 HydrophobicContact CB-CG 3.91Å; A160-P202 WeakPolarHBondContact O-CD 3.19Å
161A77.3Confident82.7Confident17 Ų1737.7 Ų37.714%0.1421%0.21CC..  trans-131.7152.5165.900000109L163 R178A161-L163 PolarHBondContact O-N 3.25Å; A161-R178 VanDerWaalsContact CB-CZ 3.48Å
162P67.6Low82.4Confident12 Ų1238.3 Ų38.38%0.07822%0.218CC..  trans-57.2127.2176.118.8-30.3000112T164 D165P162-T164 VanDerWaalsContact C-N 3.27Å; P162-T164 PolarHBondContact O-N 3.41Å; P162-D165 HydrophobicContact CB-CB 4.28Å; P162-D165 HydrophobicContact CG-CB 3.91Å; P162-D165 WeakPolarHBondContact CG-OD2 3.15Å; P162-D165 PolarHBondContact O-N 3.45Å
163L56.6Low82.1Confident68 Ų6831 Ų3136%0.35619%0.185SC..SBendtrans-65.7-30.9178.5-64.1179.3000112.4A161 D165 T166 T179A161-L163 PolarHBondContact O-N 3.25Å; L163-D165 VanDerWaalsContact C-N 3.28Å; L163-D165 PolarHBondContact O-N 3.28Å; L163-T166 PolarHBondContact O-N 3.12Å; L163-T166 PolarHBondContact O-OG1 3.17Å; L163-T179 HydrophobicContact CD2-CG2 3.48Å; L163-T179 VanDerWaalsContact CD2-CG2 3.48Å
164T54.2Low81.7Confident115 Ų11530.4 Ų30.471%0.70618%0.183SC*.THydrogen-bonded Turntrans-66.2-32177.351.80000112.4P162 T166P162-T164 VanDerWaalsContact C-N 3.27Å; P162-T164 PolarHBondContact O-N 3.41Å; T164-T166 PolarHBondContact O-N 3.13Å
165D58.2Low81.1Confident50 Ų5029.6 Ų29.627%0.26718%0.181SC..THydrogen-bonded Turntrans-82.2-6.9-176.4-60.7-5.8000111.6P162 L163 H204P162-D165 HydrophobicContact CB-CB 4.28Å; P162-D165 HydrophobicContact CG-CB 3.91Å; P162-D165 WeakPolarHBondContact CG-OD2 3.15Å; P162-D165 PolarHBondContact O-N 3.45Å; L163-D165 VanDerWaalsContact C-N 3.28Å; L163-D165 PolarHBondContact O-N 3.28Å; D165-H204 IonicContact OD2-CE1 3.73Å; D165-H204 PolarHBondContact OD2-CE1 2.87Å; D165-H204 IonicContact OD2-NE2 2.82Å
166T60.2Low80.6Confident2 Ų232.5 Ų32.51%0.01220%0.199CC..THydrogen-bonded Turntrans-104.4-17.1-176.454.20000114.2L163 T164 A168 C175L163-T166 PolarHBondContact O-N 3.12Å; L163-T166 PolarHBondContact O-OG1 3.17Å; T164-T166 PolarHBondContact O-N 3.13Å; T166-A168 PolarHBondContact O-N 3.07Å; T166-C175 VanDerWaalsContact C-SG 3.58Å; T166-C175 VanDerWaalsContact CB-SG 3.5Å; T166-C175 PolarHBondContact O-SG 3.08Å
167N70.8Confident80.1Confident133 Ų13332.7 Ų32.771%0.71120%0.201SC*.  trans-7963.2-178.2-69.8-7.3000111.9
168A80.5Confident79.5Confident15 Ų1535.7 Ų35.712%0.12421%0.212CC..SBendtrans-127.5154.8175.800000110.7T166 L171 V222T166-A168 PolarHBondContact O-N 3.07Å; A168-L171 HydrophobicContact CB-CD1 4.11Å; A168-L171 HydrophobicContact CB-CG 4.39Å; A168-L171 PolarHBondContact O-N 3.12Å; A168-V222 HydrophobicContact CB-CG2 3.33Å
169P85.4Confident79.1Confident83 Ų8338.4 Ų38.454%0.53923%0.229SC..THydrogen-bonded Turntrans-49.4145.1173.7-27.835.4000112.1L171 S219P169-L171 PolarHBondContact O-N 3.47Å; P169-S219 VanDerWaalsContact O-CB 3.24Å; P169-S219 WeakPolarHBondContact O-CB 3.47Å
170S86.2Confident79.1Confident13 Ų1339.1 Ų39.19%0.09124%0.236CC..THydrogen-bonded Turntrans63.92.5178.6-53.20000116.6K115 P116 K218K115-S170 WeakPolarHBondContact O-CB 3.41Å; P116-S170 WeakPolarHBondContact CA-OG 3.47Å; S170-K218 WeakPolarHBondContact OG-CB 3.37Å
171L86.7Confident79.4Confident6 Ų639.2 Ų39.23%0.03123%0.234CC..  trans-98.812171.6-59-169.4000113.1I113 A168 P169 L173 L174 C175 V222I113-L171 HydrophobicContact CB-CD2 4.13Å; I113-L171 HydrophobicContact CG2-CD2 3.66Å; A168-L171 HydrophobicContact CB-CD1 4.11Å; A168-L171 HydrophobicContact CB-CG 4.39Å; A168-L171 PolarHBondContact O-N 3.12Å; P169-L171 PolarHBondContact O-N 3.47Å; L171-L173 PolarHBondContact O-N 3.02Å; L171-L174 HydrophobicContact CB-CB 4.49Å; L171-L174 HydrophobicContact CD1-CD2 4.49Å; L171-L174 HydrophobicContact CD2-CD2 4.27Å; L171-L174 WeakPolarHBondContact O-CB 3.28Å; L171-L174 PolarHBondContact O-N 2.87Å; L171-L174 VanDerWaalsContact O-N 3.13Å; L171-C175 PolarHBondContact O-N 2.68Å; L171-C175 PolarHBondContact O-SG 2.96Å; L171-V222 HydrophobicContact CD1-CG1 4.22Å; L171-V222 HydrophobicContact CD1-CG2 3.66Å; L171-V222 HydrophobicContact CG-CG2 4.14Å
172G85.7Confident80.2Confident26 Ų2639.9 Ų39.927%0.26823%0.234SC..Hα-helixtrans-55-51.2-171.700000114L174 C175 V176G172-L174 VanDerWaalsContact C-N 3.33Å; G172-L174 PolarHBondContact O-N 3.05Å; G172-C175 VanDerWaalsContact O-CB 3.24Å; G172-C175 WeakPolarHBondContact O-CB 3.35Å; G172-C175 PolarHBondContact O-N 2.88Å; G172-C175 VanDerWaalsContact O-N 3.14Å; G172-V176 PolarHBondContact O-N 3.09Å; G172-V176 VanDerWaalsContact O-N 3.12Å
173L87.4Confident81.6Confident23 Ų2345 Ų4512%0.1226%0.258CS..Hα-helixtrans-70.2-30.9179.5-173.468.2000112.6S111 V112 M120 L126 L129 L130 L171 C175 V176 G177S111-L173 VanDerWaalsContact OG-C 3.31Å; S111-L173 WeakPolarHBondContact OG-CB 3.42Å; S111-L173 WeakPolarHBondContact OG-CD2 3.46Å; S111-L173 WeakPolarHBondContact OG-CG 3.43Å; V112-L173 HydrophobicContact CG2-CD2 4.39Å; M120-L173 HydrophobicContact CE-CB 4.31Å; M120-L173 HydrophobicContact SD-CB 4.25Å; L126-L173 HydrophobicContact CD2-CD2 3.38Å; L129-L173 HydrophobicContact CB-CD2 4.39Å; L129-L173 HydrophobicContact CD1-CD2 3.81Å; L130-L173 HydrophobicContact CD2-CD1 4.05Å; L130-L173 HydrophobicContact CG-CD1 4.38Å; L171-L173 PolarHBondContact O-N 3.02Å; L173-C175 VanDerWaalsContact C-N 3.27Å; L173-C175 PolarHBondContact O-N 3.45Å; L173-V176 HydrophobicContact CD1-CB 4.39Å; L173-V176 PolarHBondContact O-N 2.75Å; L173-G177 PolarHBondContact O-N 3.2Å
174L85.3Confident83.5Confident9 Ų944.3 Ų44.35%0.04726%0.257CS..Hα-helixtrans-60.6-40.5170.7-176.968.1000110.8S111 L171 G172 R178 W209S111-L174 PolarHBondContact OG-N 3.32Å; L171-L174 HydrophobicContact CB-CB 4.49Å; L171-L174 HydrophobicContact CD1-CD2 4.49Å; L171-L174 HydrophobicContact CD2-CD2 4.27Å; L171-L174 WeakPolarHBondContact O-CB 3.28Å; L171-L174 PolarHBondContact O-N 2.87Å; L171-L174 VanDerWaalsContact O-N 3.13Å; G172-L174 VanDerWaalsContact C-N 3.33Å; G172-L174 PolarHBondContact O-N 3.05Å; L174-R178 WeakPolarHBondContact O-CD 3.36Å; L174-R178 WeakPolarHBondContact O-CG 3.41Å; L174-R178 PolarHBondContact O-N 3.13Å; L174-W209 HydrophobicContact CD1-CH2 4.49Å; L174-W209 HydrophobicContact CD1-CZ2 3.95Å; L174-W209 HydrophobicContact CD2-CH2 4.13Å; L174-W209 HydrophobicContact CD2-CZ2 4.36Å
175C84.9Confident85.6Confident18 Ų1838.9 Ų38.912%0.12222%0.224CC..Hα-helixtrans-60.6-49.6174.8-58.90000110.9T166 L171 G172 L173 G177 R178 T179T166-C175 VanDerWaalsContact C-SG 3.58Å; T166-C175 VanDerWaalsContact CB-SG 3.5Å; T166-C175 PolarHBondContact O-SG 3.08Å; L171-C175 PolarHBondContact O-N 2.68Å; L171-C175 PolarHBondContact O-SG 2.96Å; G172-C175 VanDerWaalsContact O-CB 3.24Å; G172-C175 WeakPolarHBondContact O-CB 3.35Å; G172-C175 PolarHBondContact O-N 2.88Å; G172-C175 VanDerWaalsContact O-N 3.14Å; L173-C175 VanDerWaalsContact C-N 3.27Å; L173-C175 PolarHBondContact O-N 3.45Å; C175-G177 VanDerWaalsContact C-N 3.28Å; C175-G177 PolarHBondContact O-N 3.12Å; C175-R178 PolarHBondContact O-N 3.1Å; C175-T179 PolarHBondContact O-N 3.3Å; C175-T179 PolarHBondContact O-OG1 2.95Å
176V88.3Confident87.5Confident61 Ų6138.5 Ų38.537%0.3722%0.222SC..Hα-helixtrans-53.4-46.6-178.6172.80000111.1L130 G172 L173 R178 T179 S180L130-V176 HydrophobicContact CD2-CG1 3.8Å; G172-V176 PolarHBondContact O-N 3.09Å; G172-V176 VanDerWaalsContact O-N 3.12Å; L173-V176 HydrophobicContact CD1-CB 4.39Å; L173-V176 PolarHBondContact O-N 2.75Å; V176-R178 VanDerWaalsContact C-N 3.29Å; V176-R178 PolarHBondContact O-N 2.88Å; V176-T179 PolarHBondContact O-OG1 2.96Å; V176-S180 WeakPolarHBondContact O-CB 3.46Å; V176-S180 PolarHBondContact O-N 3.4Å; V176-S180 PolarHBondContact O-OG 2.91Å
177G87.6Confident89.3Confident4 Ų441.3 Ų41.34%0.04124%0.239CC..Hα-helixtrans-59.9-38.917800000113L173 C175 R181L173-G177 PolarHBondContact O-N 3.2Å; C175-G177 VanDerWaalsContact C-N 3.28Å; C175-G177 PolarHBondContact O-N 3.12Å; G177-R181 VanDerWaalsContact O-CD 3.3Å; G177-R181 WeakPolarHBondContact O-CD 3.34Å; G177-R181 WeakPolarHBondContact O-CG 3.38Å
178R86.3Confident90.6Very high62 Ų6236.2 Ų36.223%0.23421%0.211CC..Hα-helixtrans-79.1-49.1-176.1-67.2167.4174-154.8-0.6112.3A161 L174 C175 V176 R181 Q182A161-R178 VanDerWaalsContact CB-CZ 3.48Å; L174-R178 WeakPolarHBondContact O-CD 3.36Å; L174-R178 WeakPolarHBondContact O-CG 3.41Å; L174-R178 PolarHBondContact O-N 3.13Å; C175-R178 PolarHBondContact O-N 3.1Å; V176-R178 VanDerWaalsContact C-N 3.29Å; V176-R178 PolarHBondContact O-N 2.88Å; R178-R181 PolarHBondContact O-N 3.37Å; R178-Q182 PolarHBondContact O-N 2.62Å
179T90.3Very high91.5Very high59 Ų5936.1 Ų36.136%0.36221%0.211SC..Hα-helixtrans-66.3-39.2-179.553.90000111.7L163 C175 V176 R181 Q182 M183L163-T179 HydrophobicContact CD2-CG2 3.48Å; L163-T179 VanDerWaalsContact CD2-CG2 3.48Å; C175-T179 PolarHBondContact O-N 3.3Å; C175-T179 PolarHBondContact O-OG1 2.95Å; V176-T179 PolarHBondContact O-OG1 2.96Å; T179-R181 VanDerWaalsContact C-N 3.35Å; T179-R181 PolarHBondContact O-N 3.44Å; T179-Q182 PolarHBondContact O-N 2.92Å; T179-M183 WeakPolarHBondContact O-CB 3.24Å; T179-M183 PolarHBondContact O-N 2.92Å
180S93.3Very high92.1Very high35 Ų3539.1 Ų39.125%0.24522%0.221CC..Hα-helixtrans-63.6-41.7179.5-58.40000111.5V176 Q182 M183 V184V176-S180 WeakPolarHBondContact O-CB 3.46Å; V176-S180 PolarHBondContact O-N 3.4Å; V176-S180 PolarHBondContact O-OG 2.91Å; S180-Q182 PolarHBondContact O-N 3.23Å; S180-M183 PolarHBondContact O-N 2.93Å; S180-V184 WeakPolarHBondContact O-CB 3.44Å; S180-V184 VanDerWaalsContact O-CG2 3.27Å; S180-V184 WeakPolarHBondContact O-CG2 3.3Å; S180-V184 PolarHBondContact O-N 3.12Å
181R94.5Very high92.6Very high12 Ų1245 Ų455%0.04525%0.247CC..Hα-helixtrans-60.4-47177-69.6167.468.2147-5.6111.8H105 A107 N133 M137 N158 G177 R178 T179 L185H105-R181 VanDerWaalsContact CB-NH2 3.29Å; H105-R181 PolarHBondContact O-NH2 3.38Å; A107-R181 PolarHBondContact O-NH1 2.9Å; N133-R181 WeakPolarHBondContact O-CD 3.26Å; N133-R181 WeakPolarHBondContact O-CG 3.25Å; M137-R181 HydrophobicContact CE-CB 4.01Å; M137-R181 HydrophobicContact CE-CG 3.81Å; N158-R181 PolarHBondContact OD1-NE 3.13Å; N158-R181 PolarHBondContact OD1-NH2 3.1Å; G177-R181 VanDerWaalsContact O-CD 3.3Å; G177-R181 WeakPolarHBondContact O-CD 3.34Å; G177-R181 WeakPolarHBondContact O-CG 3.38Å; R178-R181 PolarHBondContact O-N 3.37Å; T179-R181 VanDerWaalsContact C-N 3.35Å; T179-R181 PolarHBondContact O-N 3.44Å; R181-L185 VanDerWaalsContact O-CB 3.31Å; R181-L185 WeakPolarHBondContact O-CB 3.49Å; R181-L185 VanDerWaalsContact O-CG 3.25Å; R181-L185 WeakPolarHBondContact O-CG 3.27Å; R181-L185 PolarHBondContact O-N 3.28Å; R181-L185 VanDerWaalsContact O-N 3.08Å
182Q94.9Very high93.1Very high31 Ų3147.3 Ų47.315%0.14526%0.259CS..Hα-helixtrans-62-48.2179.3-177.6169.3-4.500111.1R178 T179 S180 L185 N186R178-Q182 PolarHBondContact O-N 2.62Å; T179-Q182 PolarHBondContact O-N 2.92Å; S180-Q182 PolarHBondContact O-N 3.23Å; Q182-L185 PolarHBondContact O-N 3.3Å; Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 VanDerWaalsContact O-CG 3.27Å; Q182-N186 PolarHBondContact O-N 2.96Å
183M96.1Very high93.6Very high119 Ų11951.2 Ų51.259%0.58628%0.28SS*.Hα-helixtrans-61.9-50.2-179.5-175.756.668.600112.3T179 S180 L185 N186 V187T179-M183 WeakPolarHBondContact O-CB 3.24Å; T179-M183 PolarHBondContact O-N 2.92Å; S180-M183 PolarHBondContact O-N 2.93Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-L185 PolarHBondContact O-N 3.04Å; M183-N186 PolarHBondContact O-N 2.94Å; M183-V187 WeakPolarHBondContact O-CG2 3.48Å; M183-V187 PolarHBondContact O-N 2.92Å; M183-V187 HydrophobicContact SD-CG2 4.46Å
184V97.7Very high94Very high55 Ų5555.1 Ų55.133%0.33330%0.298SS..Hα-helixtrans-62-41-178.41720000111.3M137 V138 S180 V187 L188M137-V184 HydrophobicContact CE-CB 4.47Å; M137-V184 HydrophobicContact CE-CG1 4.48Å; V138-V184 HydrophobicContact CG2-CG1 3.86Å; S180-V184 WeakPolarHBondContact O-CB 3.44Å; S180-V184 VanDerWaalsContact O-CG2 3.27Å; S180-V184 WeakPolarHBondContact O-CG2 3.3Å; S180-V184 PolarHBondContact O-N 3.12Å; V184-V187 PolarHBondContact O-N 3.36Å; V184-L188 WeakPolarHBondContact O-CB 3.38Å; V184-L188 PolarHBondContact O-N 2.91Å
185L98.1Very high94.5Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-72.3-32.2178.6-70.6176.4000112.9M137 I156 N158 R181 Q182 M183 L188 A189 V197M137-L185 HydrophobicContact CE-CG 4.36Å; M137-L185 HydrophobicContact SD-CD1 4.09Å; M137-L185 HydrophobicContact SD-CD2 3.7Å; M137-L185 HydrophobicContact SD-CG 3.83Å; I156-L185 HydrophobicContact CD1-CD2 4.35Å; I156-L185 HydrophobicContact CG2-CD1 4.25Å; I156-L185 HydrophobicContact CG2-CD2 3.97Å; N158-L185 HydrophobicContact CB-CD1 3.63Å; R181-L185 VanDerWaalsContact O-CB 3.31Å; R181-L185 WeakPolarHBondContact O-CB 3.49Å; R181-L185 VanDerWaalsContact O-CG 3.25Å; R181-L185 WeakPolarHBondContact O-CG 3.27Å; R181-L185 PolarHBondContact O-N 3.28Å; R181-L185 VanDerWaalsContact O-N 3.08Å; Q182-L185 PolarHBondContact O-N 3.3Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-L185 PolarHBondContact O-N 3.04Å; L185-L188 HydrophobicContact CD2-CD1 4.3Å; L185-L188 PolarHBondContact O-N 2.92Å; L185-A189 PolarHBondContact O-N 3.33Å; L185-V197 HydrophobicContact CB-CG1 3.87Å
186N97.9Very high95.2Very high43 Ų4357.1 Ų57.123%0.2330%0.304CS..Hα-helixtrans-63.3-44.2170.9-79.7-12.8000111.5Q182 M183 A189 L190 H199 G257Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 VanDerWaalsContact O-CG 3.27Å; Q182-N186 PolarHBondContact O-N 2.96Å; M183-N186 PolarHBondContact O-N 2.94Å; N186-A189 PolarHBondContact O-N 3.29Å; N186-L190 WeakPolarHBondContact O-CG 2.93Å; N186-L190 PolarHBondContact O-N 3.34Å; N186-L190 VanDerWaalsContact O-N 3.12Å; N186-H199 PolarHBondContact OD1-NE2 3.38Å; N186-G257 WeakPolarHBondContact OD1-CA 3.39Å
187V98.5Very high95.6Very high61 Ų6154.2 Ų54.237%0.3729%0.287SS..Hα-helixtrans-62.4-44.8174.61740000110.5M183 V184 A189 L190 E191M183-V187 WeakPolarHBondContact O-CG2 3.48Å; M183-V187 PolarHBondContact O-N 2.92Å; M183-V187 HydrophobicContact SD-CG2 4.46Å; V184-V187 PolarHBondContact O-N 3.36Å; V187-A189 VanDerWaalsContact C-N 3.27Å; V187-A189 PolarHBondContact O-N 3.44Å; V187-L190 WeakPolarHBondContact O-CB 3.38Å; V187-L190 PolarHBondContact O-N 3.33Å; V187-E191 HydrophobicContact CG1-CG 4.21Å; V187-E191 WeakPolarHBondContact O-CG 3.46Å; V187-E191 PolarHBondContact O-N 3.39Å
188L98.2Very high96.1Very high26 Ų2654 Ų5414%0.13629%0.285CS..Hα-helixtrans-55.6-42.4175.9-177.1158000111.9N141 I156 V184 L185 E191 N192 I195 V197N141-L188 HydrophobicContact CB-CD1 4.22Å; I156-L188 HydrophobicContact CD1-CD1 4.14Å; I156-L188 HydrophobicContact CD1-CD2 3.62Å; V184-L188 WeakPolarHBondContact O-CB 3.38Å; V184-L188 PolarHBondContact O-N 2.91Å; L185-L188 HydrophobicContact CD2-CD1 4.3Å; L185-L188 PolarHBondContact O-N 2.92Å; L188-E191 PolarHBondContact O-N 3.4Å; L188-N192 WeakPolarHBondContact O-CB 3.25Å; L188-N192 PolarHBondContact O-N 2.99Å; L188-N192 PolarHBondContact O-ND2 3.09Å; L188-I195 HydrophobicContact CD2-CB 4.38Å; L188-I195 HydrophobicContact CD2-CD1 4.12Å; L188-I195 HydrophobicContact CD2-CG2 4.1Å; L188-V197 HydrophobicContact CD2-CG2 4.45Å
189A97.6Very high96.7Very high13 Ų1351 Ų5111%0.10727%0.274CS..Hα-helixtrans-65.3-35.8176.900000113.1L185 N186 V187 N192 V197L185-A189 PolarHBondContact O-N 3.33Å; N186-A189 PolarHBondContact O-N 3.29Å; V187-A189 VanDerWaalsContact C-N 3.27Å; V187-A189 PolarHBondContact O-N 3.44Å; A189-N192 CarbonylContact O-C 3.55Å; A189-V197 HydrophobicContact CB-CB 4.1Å; A189-V197 HydrophobicContact CB-CG2 3.74Å
190L98.1Very high97Very high145 Ų14548.2 Ų48.276%0.75926%0.256SS*.Hα-helixtrans-69.9-38.1175.3-67.3172.9000111.7N186 V187N186-L190 WeakPolarHBondContact O-CG 2.93Å; N186-L190 PolarHBondContact O-N 3.34Å; N186-L190 VanDerWaalsContact O-N 3.12Å; V187-L190 WeakPolarHBondContact O-CB 3.38Å; V187-L190 PolarHBondContact O-N 3.33Å
191E98Very high97Very high138 Ų13847.7 Ų47.765%0.64525%0.25SC*.Hα-helixtrans-73.2-27.3177.6-68.9172.5160.400112.8V187 L188V187-E191 HydrophobicContact CG1-CG 4.21Å; V187-E191 WeakPolarHBondContact O-CG 3.46Å; V187-E191 PolarHBondContact O-N 3.39Å; L188-E191 PolarHBondContact O-N 3.4Å
192N96.8Very high97Very high53 Ų5348 Ų4828%0.28325%0.253SS..  trans-133.175.8-175.4-52.4-96.9000110.1L188 A189 E194 I195L188-N192 WeakPolarHBondContact O-CB 3.25Å; L188-N192 PolarHBondContact O-N 2.99Å; L188-N192 PolarHBondContact O-ND2 3.09Å; A189-N192 CarbonylContact O-C 3.55Å; N192-E194 WeakPolarHBondContact CA-OE2 3.31Å; N192-E194 PolarHBondContact O-N 3.46Å; N192-I195 HydrophobicContact CB-CB 4.37Å; N192-I195 HydrophobicContact CB-CD1 3.78Å; N192-I195 HydrophobicContact CB-CG1 3.95Å; N192-I195 WeakPolarHBondContact O-CB 3.43Å; N192-I195 PolarHBondContact O-N 3.08Å
193P95.9Very high96.8Very high108 Ų10847.3 Ų47.370%0.70125%0.254SS*.THydrogen-bonded Turntrans-60.4-17.8-174.1-25.435.8000115.1I195P193-I195 PolarHBondContact O-N 3.47Å
194E94.9Very high96.6Very high105 Ų10543 Ų4349%0.49123%0.233SC..THydrogen-bonded Turntrans-74.3-12.3173.378.2-75.4-176.200113.6K154 N192K154-E194 HydrophobicContact CD-CG 4.47Å; N192-E194 WeakPolarHBondContact CA-OE2 3.31Å; N192-E194 PolarHBondContact O-N 3.46Å
195I97.6Very high96.3Very high6 Ų641.2 Ų41.23%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-100.3116.2177.5-53.9-177.5000109.5K154 I156 L188 N192 P193 S256K154-I195 HydrophobicContact CB-CB 4.34Å; K154-I195 HydrophobicContact CB-CG1 3.91Å; K154-I195 HydrophobicContact CB-CG2 4.31Å; K154-I195 HydrophobicContact CD-CD1 4.38Å; K154-I195 HydrophobicContact CD-CG1 3.96Å; I156-I195 HydrophobicContact CD1-CG2 3.62Å; I156-I195 HydrophobicContact CG1-CG2 3.87Å; L188-I195 HydrophobicContact CD2-CB 4.38Å; L188-I195 HydrophobicContact CD2-CD1 4.12Å; L188-I195 HydrophobicContact CD2-CG2 4.1Å; N192-I195 HydrophobicContact CB-CB 4.37Å; N192-I195 HydrophobicContact CB-CD1 3.78Å; N192-I195 HydrophobicContact CB-CG1 3.95Å; N192-I195 WeakPolarHBondContact O-CB 3.43Å; N192-I195 PolarHBondContact O-N 3.08Å; P193-I195 PolarHBondContact O-N 3.47Å; I195-S256 PolarHBondContact O-OG 3.35Å
196K97.9Very high95.9Very high63 Ų6345.4 Ų45.427%0.27424%0.244SC..EExtended strand (participates in β ladder)trans-82.7127.6172.9-62-178.7-173.7168.80110.3E153 K154 V155 I156 I254E153-K196 WeakPolarHBondContact OE1-CD 3.45Å; E153-K196 WeakPolarHBondContact OE1-CE 3.45Å; E153-K196 IonicContact OE1-NZ 2.72Å; E153-K196 PolarHBondContact OE1-NZ 2.82Å; K154-K196 PolarHBondContact O-N 3.41Å; V155-K196 CarbonylContact C-O 3.49Å; V155-K196 VanDerWaalsContact CA-O 3.31Å; V155-K196 WeakPolarHBondContact CA-O 3.45Å; V155-K196 HydrophobicContact CG2-CB 4.41Å; I156-K196 PolarHBondContact N-O 3.44Å; K196-I254 HydrophobicContact CB-CG2 4.14Å; K196-I254 HydrophobicContact CD-CB 4.25Å
197V98.4Very high95.4Very high0 Ų044.1 Ų44.10%024%0.238CC..EExtended strand (participates in β ladder)trans-108.1128.6175.8172.40000109.9I156 L185 L188 A189 H199 S256 G257I156-V197 HydrophobicContact CB-CG2 4.26Å; I156-V197 HydrophobicContact CD1-CG2 4.41Å; I156-V197 CarbonylContact O-C 3.5Å; I156-V197 WeakPolarHBondContact O-CA 3.5Å; L185-V197 HydrophobicContact CB-CG1 3.87Å; L188-V197 HydrophobicContact CD2-CG2 4.45Å; A189-V197 HydrophobicContact CB-CB 4.1Å; A189-V197 HydrophobicContact CB-CG2 3.74Å; V197-H199 VanDerWaalsContact CG1-CE1 3.49Å; V197-H199 WeakPolarHBondContact CG1-CE1 3.39Å; V197-S256 PolarHBondContact N-OG 3.46Å; V197-S256 CarbonylContact O-C 3.46Å; V197-S256 WeakPolarHBondContact O-CA 3.47Å; V197-G257 PolarHBondContact O-N 3.22Å
198L98.2Very high94.9Very high0 Ų044.9 Ų44.90%025%0.246CC..EExtended strand (participates in β ladder)trans-117.1129173.9175.663.3000110.2I156 V157 N158 F200 Y248 L249 I254 V260I156-L198 PolarHBondContact O-N 3Å; V157-L198 WeakPolarHBondContact CA-O 3.18Å; V157-L198 HydrophobicContact CG1-CD2 4.36Å; V157-L198 HydrophobicContact CG2-CB 4.34Å; V157-L198 HydrophobicContact CG2-CD2 4.24Å; N158-L198 PolarHBondContact N-O 3.14Å; L198-F200 HydrophobicContact CD2-CB 4.34Å; L198-F200 HydrophobicContact CG-CB 4.34Å; L198-Y248 HydrophobicContact CD1-CD1 4.41Å; L198-Y248 HydrophobicContact CD1-CE1 3.6Å; L198-Y248 HydrophobicContact CD2-CD1 3.71Å; L198-Y248 HydrophobicContact CD2-CE1 3.57Å; L198-Y248 HydrophobicContact CG-CE1 4.23Å; L198-L249 HydrophobicContact CD2-CD2 3.88Å; L198-I254 HydrophobicContact CB-CG2 3.97Å; L198-V260 HydrophobicContact CD1-CB 4.08Å; L198-V260 HydrophobicContact CD1-CG2 3.6Å
199H97Very high94.4Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-99.790.5167.9-59.2-47000110.1N158 A160 N186 V197 S258 V259 V260N158-H199 WeakPolarHBondContact CB-ND1 3.3Å; N158-H199 PolarHBondContact ND2-ND1 3.22Å; A160-H199 HydrophobicContact CB-CB 3.97Å; N186-H199 PolarHBondContact OD1-NE2 3.38Å; V197-H199 VanDerWaalsContact CG1-CE1 3.49Å; V197-H199 WeakPolarHBondContact CG1-CE1 3.39Å; H199-S258 WeakPolarHBondContact CB-O 3.29Å; H199-S258 PolarHBondContact N-O 2.94Å; H199-V259 HydrophobicContact CB-CB 4.48Å; H199-V259 HydrophobicContact CB-CG2 4Å; H199-V259 WeakPolarHBondContact O-CA 3.36Å; H199-V260 PolarHBondContact O-N 2.99Å
200F96.8Very high94Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-85.1118.7179.5-169.2-95.8000110.2V157 N158 M159 A160 L198 P202 V241 F245 V260 A262V157-F200 HydrophobicContact CG1-CB 4.08Å; N158-F200 PolarHBondContact O-N 3.09Å; M159-F200 CarbonylContact C-O 3.57Å; M159-F200 WeakPolarHBondContact CA-O 3.09Å; M159-F200 HydrophobicContact SD-CB 4.41Å; M159-F200 HydrophobicContact SD-CD1 4.02Å; A160-F200 PolarHBondContact N-O 3.4Å; L198-F200 HydrophobicContact CD2-CB 4.34Å; L198-F200 HydrophobicContact CG-CB 4.34Å; F200-P202 WeakPolarHBondContact O-CD 3.47Å; F200-V241 HydrophobicContact CE1-CG1 4.1Å; F200-F245 HydrophobicContact CB-CD2 4.39Å; F200-F245 HydrophobicContact CD1-CB 4.32Å; F200-F245 AromaticContact CD1-CD2 3.98Å; F200-F245 HydrophobicContact CD1-CD2 3.98Å; F200-F245 HydrophobicContact CD2-CD2 4.02Å; F200-F245 HydrophobicContact CE1-CB 3.75Å; F200-F245 HydrophobicContact CE1-CD2 4.25Å; F200-F245 HydrophobicContact CE1-CG 4.44Å; F200-F245 HydrophobicContact CE2-CB 4.2Å; F200-F245 HydrophobicContact CE2-CD2 4.29Å; F200-F245 AromaticContact CG-CD2 3.86Å; F200-F245 HydrophobicContact CG-CD2 3.86Å; F200-F245 VanDerWaalsContact CZ-CA 3.5Å; F200-F245 HydrophobicContact CZ-CB 3.68Å; F200-F245 HydrophobicContact CZ-CD2 4.39Å; F200-V260 HydrophobicContact CD2-CB 4.26Å; F200-V260 HydrophobicContact CD2-CG1 4.08Å; F200-V260 HydrophobicContact CE2-CG1 4.11Å; F200-A262 HydrophobicContact CE1-CB 3.88Å; F200-A262 HydrophobicContact CZ-CB 3.64Å
201Q95Very high93.7Very high24 Ų2442.9 Ų42.911%0.11223%0.226CC..EExtended strand (participates in β ladder)trans-94.6110.6176.7-68179.7-16.700109.5A160 G203 V259 V260 A262A160-Q201 HydrophobicContact CB-CG 3.91Å; Q201-G203 PolarHBondContact O-N 3.36Å; Q201-V259 HydrophobicContact CG-CG1 3.74Å; Q201-V260 PolarHBondContact N-O 3.16Å; Q201-A262 WeakPolarHBondContact O-CB 3.47Å; Q201-A262 PolarHBondContact O-N 2.93Å
202P94Very high93.4Very high18 Ų1838.9 Ų38.912%0.11721%0.211CC..  trans-74.6-11.3-178.431.5-32.2000113L21 A160 F200 L205 V241L21-P202 HydrophobicContact CD2-CB 3.69Å; L21-P202 HydrophobicContact CD2-CG 4.32Å; A160-P202 WeakPolarHBondContact O-CD 3.19Å; F200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-L205 HydrophobicContact CB-CD1 4.22Å; P202-L205 HydrophobicContact CB-CD2 4.41Å; P202-L205 HydrophobicContact CB-CG 4.42Å; P202-L205 WeakPolarHBondContact O-CD2 3.08Å; P202-V241 HydrophobicContact CB-CG1 3.68Å
203G90.7Very high93.1Very high16 Ų1636.6 Ų36.617%0.16520%0.199CC..  trans75.7-164.3-170.900000112.5Q201Q201-G203 PolarHBondContact O-N 3.36Å
204H91Very high92.9Very high28 Ų2832.5 Ų32.513%0.1317%0.171CC..SBendtrans-83.7115.1176.3-62.895.2000109.1D165 L210 M229 V235 L236D165-H204 IonicContact OD2-CE1 3.73Å; D165-H204 PolarHBondContact OD2-CE1 2.87Å; D165-H204 IonicContact OD2-NE2 2.82Å; H204-L210 HydrophobicContact CB-CD1 4.47Å; H204-L210 HydrophobicContact CB-CD2 4.14Å; H204-M229 PolarHBondContact CE1-SD 2.81Å; H204-M229 PolarHBondContact ND1-SD 3Å; H204-V235 CarbonylContact O-C 3.56Å; H204-V235 WeakPolarHBondContact O-CA 3.46Å; H204-L236 PolarHBondContact O-N 3.3Å
205L91.5Very high92.8Very high18 Ų1832.8 Ų32.89%0.09418%0.176CC..BIsolated β-bridgetrans-102137.1-179.7-54.7-175.7000110.5L21 P202 T207 L210 L236 V241L21-L205 HydrophobicContact CB-CD1 3.78Å; L21-L205 HydrophobicContact CD2-CD1 4.05Å; L21-L205 HydrophobicContact CG-CD1 4.32Å; P202-L205 HydrophobicContact CB-CD1 4.22Å; P202-L205 HydrophobicContact CB-CD2 4.41Å; P202-L205 HydrophobicContact CB-CG 4.42Å; P202-L205 WeakPolarHBondContact O-CD2 3.08Å; L205-T207 HydrophobicContact CB-CG2 3.71Å; L205-T207 PolarHBondContact O-N 2.94Å; L205-T207 PolarHBondContact O-OG1 3.41Å; L205-L210 WeakPolarHBondContact O-CB 3.43Å; L205-L210 VanDerWaalsContact O-CD2 3.28Å; L205-L210 WeakPolarHBondContact O-CD2 3.35Å; L205-L236 WeakPolarHBondContact CA-O 3.26Å; L205-L236 HydrophobicContact CD2-CB 4.04Å; L205-V241 HydrophobicContact CD2-CB 4.03Å; L205-V241 HydrophobicContact CD2-CG1 4.23Å; L205-V241 HydrophobicContact CD2-CG2 3.61Å
206D89.6Confident92.6Very high89 Ų8937 Ų3748%0.47620%0.199SC..  trans-65.497.2171.3-171.33000109.3H211 V235 L236D206-H211 IonicContact OD1-CD2 3.8Å; D206-H211 IonicContact OD1-CE1 3.86Å; D206-H211 IonicContact OD1-NE2 2.66Å; D206-H211 PolarHBondContact OD1-NE2 2.92Å; D206-V235 HydrophobicContact CB-CG1 3.69Å; D206-L236 PolarHBondContact N-O 3.44Å; D206-L236 VanDerWaalsContact N-O 3.15Å
207T88.2Confident92.3Very high16 Ų1634 Ų3410%0.09819%0.186CC..SBendtrans-146.6154.6-171.4550000109.2N20 L205 W209 L210 H211N20-T207 HydrophobicContact CB-CG2 4Å; L205-T207 HydrophobicContact CB-CG2 3.71Å; L205-T207 PolarHBondContact O-N 2.94Å; L205-T207 PolarHBondContact O-OG1 3.41Å; T207-W209 PolarHBondContact O-N 3.48Å; T207-W209 VanDerWaalsContact O-N 3.09Å; T207-L210 PolarHBondContact O-N 2.89Å; T207-L210 PolarHBondContact OG1-N 3.48Å; T207-H211 PolarHBondContact O-CD2 3.48Å; T207-H211 PolarHBondContact O-N 3.16Å; T207-H211 VanDerWaalsContact O-N 3.1Å
208S88Confident92Very high77 Ų7739.7 Ų39.754%0.53821%0.21SC..Hα-helixtrans-52.8-32171.855.90000112.5T212S208-T212 WeakPolarHBondContact O-CB 3.37Å; S208-T212 PolarHBondContact O-N 3.32Å; S208-T212 PolarHBondContact O-OG1 2.95Å
209W86.9Confident91.7Very high71 Ų7140.1 Ų40.127%0.26921%0.213SC..Hα-helixtrans-60.9-49.5173.9-170100.1000112L110 L174 T207 T212 V213L110-W209 VanDerWaalsContact CB-NE1 3.31Å; L110-W209 HydrophobicContact CD1-CD2 4.31Å; L110-W209 VanDerWaalsContact CD1-CE2 3.43Å; L110-W209 HydrophobicContact CD1-CH2 3.95Å; L110-W209 HydrophobicContact CD1-CZ2 3.23Å; L110-W209 HydrophobicContact CG-CZ2 4.42Å; L174-W209 HydrophobicContact CD1-CH2 4.49Å; L174-W209 HydrophobicContact CD1-CZ2 3.95Å; L174-W209 HydrophobicContact CD2-CH2 4.13Å; L174-W209 HydrophobicContact CD2-CZ2 4.36Å; T207-W209 PolarHBondContact O-N 3.48Å; T207-W209 VanDerWaalsContact O-N 3.09Å; W209-T212 PolarHBondContact O-N 2.95Å; W209-V213 HydrophobicContact CD2-CG2 4.32Å; W209-V213 HydrophobicContact CE3-CG2 3.88Å; W209-V213 HydrophobicContact CH2-CG2 3.66Å; W209-V213 HydrophobicContact CZ2-CG2 4.19Å; W209-V213 HydrophobicContact CZ3-CG2 3.52Å; W209-V213 WeakPolarHBondContact O-CG2 3.21Å; W209-V213 PolarHBondContact O-N 3.31Å; W209-V213 VanDerWaalsContact O-N 3.13Å
210L90Very high91.4Very high3 Ų345 Ų452%0.01624%0.236CC..Hα-helixtrans-64.7-42.6-179.6-168.266.8000111.3H204 L205 T207 T212 V213 M214 L226 F230 V235H204-L210 HydrophobicContact CB-CD1 4.47Å; H204-L210 HydrophobicContact CB-CD2 4.14Å; L205-L210 WeakPolarHBondContact O-CB 3.43Å; L205-L210 VanDerWaalsContact O-CD2 3.28Å; L205-L210 WeakPolarHBondContact O-CD2 3.35Å; T207-L210 PolarHBondContact O-N 2.89Å; T207-L210 PolarHBondContact OG1-N 3.48Å; L210-T212 VanDerWaalsContact C-N 3.34Å; L210-T212 PolarHBondContact O-N 2.86Å; L210-V213 PolarHBondContact O-N 3.21Å; L210-V213 VanDerWaalsContact O-N 3.16Å; L210-M214 WeakPolarHBondContact O-CG 3.38Å; L210-M214 PolarHBondContact O-N 2.85Å; L210-L226 HydrophobicContact CD1-CD1 4.12Å; L210-L226 HydrophobicContact CD1-CD2 3.74Å; L210-F230 HydrophobicContact CD2-CE2 3.71Å; L210-F230 HydrophobicContact CD2-CZ 3.8Å; L210-F230 HydrophobicContact CG-CE2 4.23Å; L210-V235 HydrophobicContact CD2-CG1 3.84Å; L210-V235 HydrophobicContact CD2-CG2 4.1Å
211H91.9Very high91.1Very high68 Ų6849.4 Ų49.432%0.31526%0.257SS..Hα-helixtrans-60.2-41.3174.7-70.7-65.3000112.5D206 T207 V213 M214 N215 F230D206-H211 IonicContact OD1-CD2 3.8Å; D206-H211 IonicContact OD1-CE1 3.86Å; D206-H211 IonicContact OD1-NE2 2.66Å; D206-H211 PolarHBondContact OD1-NE2 2.92Å; T207-H211 PolarHBondContact O-CD2 3.48Å; T207-H211 PolarHBondContact O-N 3.16Å; T207-H211 VanDerWaalsContact O-N 3.1Å; H211-V213 VanDerWaalsContact C-N 3.33Å; H211-V213 PolarHBondContact O-N 2.84Å; H211-M214 VanDerWaalsContact ND1-CE 3.34Å; H211-M214 WeakPolarHBondContact ND1-CE 3.43Å; H211-M214 PolarHBondContact O-N 3.36Å; H211-N215 WeakPolarHBondContact O-CB 3.48Å; H211-N215 VanDerWaalsContact O-CG 3.28Å; H211-N215 PolarHBondContact O-N 3.41Å; H211-N215 PolarHBondContact O-ND2 3.29Å; H211-F230 AromaticContact CE1-CZ 3.7Å
212T91.8Very high90.8Very high54 Ų5448.6 Ų48.633%0.33125%0.254SS..Hα-helixtrans-60.9-41.1174.4-63.10000111.8L110 S208 W209 L210 N215 N216L110-T212 HydrophobicContact CD2-CG2 3.49Å; L110-T212 VanDerWaalsContact CD2-CG2 3.49Å; S208-T212 WeakPolarHBondContact O-CB 3.37Å; S208-T212 PolarHBondContact O-N 3.32Å; S208-T212 PolarHBondContact O-OG1 2.95Å; W209-T212 PolarHBondContact O-N 2.95Å; L210-T212 VanDerWaalsContact C-N 3.34Å; L210-T212 PolarHBondContact O-N 2.86Å; T212-N215 PolarHBondContact O-N 2.99Å; T212-N216 VanDerWaalsContact O-CB 3.26Å; T212-N216 WeakPolarHBondContact O-CB 3.25Å; T212-N216 PolarHBondContact O-N 2.94Å
213V90.6Very high90.7Very high5 Ų550.1 Ų50.13%0.0326%0.258CS..Hα-helixtrans-64.1-45.3176.4-177.90000111.1L110 I113 W209 L210 H211 N215 A217 V222 L226L110-V213 HydrophobicContact CD1-CG2 3.65Å; L110-V213 HydrophobicContact CD2-CG2 4.31Å; I113-V213 HydrophobicContact CD1-CB 4.29Å; I113-V213 HydrophobicContact CD1-CG1 4.42Å; I113-V213 HydrophobicContact CD1-CG2 4.1Å; W209-V213 HydrophobicContact CD2-CG2 4.32Å; W209-V213 HydrophobicContact CE3-CG2 3.88Å; W209-V213 HydrophobicContact CH2-CG2 3.66Å; W209-V213 HydrophobicContact CZ2-CG2 4.19Å; W209-V213 HydrophobicContact CZ3-CG2 3.52Å; W209-V213 WeakPolarHBondContact O-CG2 3.21Å; W209-V213 PolarHBondContact O-N 3.31Å; W209-V213 VanDerWaalsContact O-N 3.13Å; L210-V213 PolarHBondContact O-N 3.21Å; L210-V213 VanDerWaalsContact O-N 3.16Å; H211-V213 VanDerWaalsContact C-N 3.33Å; H211-V213 PolarHBondContact O-N 2.84Å; V213-N215 VanDerWaalsContact C-N 3.29Å; V213-N215 PolarHBondContact O-N 3.01Å; V213-A217 HydrophobicContact CG1-CB 4.15Å; V213-A217 WeakPolarHBondContact O-CB 3.45Å; V213-A217 PolarHBondContact O-N 3.16Å; V213-V222 HydrophobicContact CG1-CG1 3.87Å; V213-L226 HydrophobicContact CB-CD1 3.95Å; V213-L226 HydrophobicContact CG1-CD1 3.58Å
214M90.8Very high90.7Very high22 Ų2257.7 Ų57.711%0.10828%0.282CS..Hα-helixtrans-59.1-40.8177.7-67.9-159.7-55.300112.9L210 H211 K223 L226 F230L210-M214 WeakPolarHBondContact O-CG 3.38Å; L210-M214 PolarHBondContact O-N 2.85Å; H211-M214 VanDerWaalsContact ND1-CE 3.34Å; H211-M214 WeakPolarHBondContact ND1-CE 3.43Å; H211-M214 PolarHBondContact O-N 3.36Å; M214-K223 WeakPolarHBondContact O-CD 3.47Å; M214-K223 VanDerWaalsContact O-CE 3.28Å; M214-K223 WeakPolarHBondContact O-CE 3.27Å; M214-K223 WeakPolarHBondContact O-CG 3.46Å; M214-L226 HydrophobicContact CG-CB 3.53Å; M214-L226 HydrophobicContact CG-CD1 3.63Å; M214-L226 HydrophobicContact CG-CG 4.23Å; M214-L226 HydrophobicContact SD-CB 3.86Å; M214-F230 HydrophobicContact CE-CD2 3.88Å; M214-F230 HydrophobicContact CE-CE2 3.38Å; M214-F230 HydrophobicContact CE-CZ 3.94Å; M214-F230 HydrophobicContact SD-CD2 3.42Å; M214-F230 WeakPolarHBondContact SD-CD2 3.48Å; M214-F230 HydrophobicContact SD-CE2 3.26Å; M214-F230 WeakPolarHBondContact SD-CE2 3.47Å; M214-F230 HydrophobicContact SD-CZ 4.36Å
215N92.5Very high90.7Very high111 Ų11160.4 Ų60.459%0.59430%0.295SS*.Hα-helixtrans-82.3-36.1-174.9-65.7-26.6000112.3H211 T212 V213 K223H211-N215 WeakPolarHBondContact O-CB 3.48Å; H211-N215 VanDerWaalsContact O-CG 3.28Å; H211-N215 PolarHBondContact O-N 3.41Å; H211-N215 PolarHBondContact O-ND2 3.29Å; T212-N215 PolarHBondContact O-N 2.99Å; V213-N215 VanDerWaalsContact C-N 3.29Å; V213-N215 PolarHBondContact O-N 3.01Å; N215-K223 WeakPolarHBondContact O-CE 3.39Å
216N93.2Very high90.7Very high94 Ų9460 Ų6050%0.50329%0.293SS..Hα-helixtrans-114.3-8.9-164.9-58.4-7.8000114.4I113 D114 T212 K218I113-N216 HydrophobicContact CD1-CB 4.39Å; D114-N216 WeakPolarHBondContact CA-O 3.38Å; T212-N216 VanDerWaalsContact O-CB 3.26Å; T212-N216 WeakPolarHBondContact O-CB 3.25Å; T212-N216 PolarHBondContact O-N 2.94Å; N216-K218 PolarHBondContact O-N 3.13Å
217A91.6Very high90.8Very high0 Ų060.2 Ų60.20%029%0.29CS..  trans-60.3137.2177.900000111.1I113 V213 S219 V222 K223I113-A217 HydrophobicContact CD1-CB 4.38Å; I113-A217 CarbonylContact O-C 3.58Å; I113-A217 WeakPolarHBondContact O-CA 3.24Å; V213-A217 HydrophobicContact CG1-CB 4.15Å; V213-A217 WeakPolarHBondContact O-CB 3.45Å; V213-A217 PolarHBondContact O-N 3.16Å; A217-S219 PolarHBondContact O-N 3.45Å; A217-V222 HydrophobicContact CB-CG1 4.35Å; A217-K223 HydrophobicContact CB-CG 4.3Å; A217-K223 WeakPolarHBondContact O-CE 3.3Å; A217-K223 PolarHBondContact O-NZ 3.2Å
218K93.2Very high91.1Very high120 Ų12061.5 Ų61.552%0.52230%0.3SS..SBendtrans-67.4-30.3172.9-175.861.1175.1-170.80112.2I113 D114 S170 N216 E220I113-K218 PolarHBondContact O-N 3.43Å; D114-K218 WeakPolarHBondContact O-CB 3.47Å; S170-K218 WeakPolarHBondContact OG-CB 3.37Å; N216-K218 PolarHBondContact O-N 3.13Å; K218-E220 PolarHBondContact O-N 3.28Å
219S90.9Very high91.3Very high9 Ų958.8 Ų58.86%0.06328%0.279CS..  trans-79.1105.8-178.4178.60000111.6P169 A217 Q221 V222 K223P169-S219 VanDerWaalsContact O-CB 3.24Å; P169-S219 WeakPolarHBondContact O-CB 3.47Å; A217-S219 PolarHBondContact O-N 3.45Å; S219-Q221 PolarHBondContact O-N 2.99Å; S219-V222 WeakPolarHBondContact O-CB 3.39Å; S219-V222 PolarHBondContact O-N 3.35Å; S219-V222 WeakPolarHBondContact OG-CG2 3.32Å; S219-V222 PolarHBondContact OG-N 3.5Å; S219-K223 PolarHBondContact O-N 3.44Å; S219-K223 VanDerWaalsContact O-N 3.1Å
220E90.8Very high91.5Very high103 Ų10357.9 Ų57.948%0.48128%0.278SS..Hα-helixtrans-62-22.9172.5-65.4-54.3128.300113K218 K223 R224K218-E220 PolarHBondContact O-N 3.28Å; E220-K223 IonicContact OE1-NZ 2.89Å; E220-K223 PolarHBondContact OE1-NZ 3.19Å; E220-R224 WeakPolarHBondContact O-CB 3.1Å; E220-R224 WeakPolarHBondContact O-CG 3.48Å; E220-R224 PolarHBondContact O-N 3.04Å; E220-R224 VanDerWaalsContact O-N 3.16Å; E220-R224 PolarHBondContact O-NE 3.38Å
221Q90.3Very high91.7Very high91 Ų9164.1 Ų64.143%0.42531%0.307SS..Hα-helixtrans-65-48.4170178.6-174.9-8.500110.8S219 R224 Q225S219-Q221 PolarHBondContact O-N 2.99Å; Q221-R224 PolarHBondContact O-N 3.23Å; Q221-Q225 HydrophobicContact CG-CG 4.48Å; Q221-Q225 WeakPolarHBondContact O-CB 3.36Å; Q221-Q225 VanDerWaalsContact O-CG 3.3Å; Q221-Q225 WeakPolarHBondContact O-CG 3.45Å; Q221-Q225 PolarHBondContact O-N 3.26Å
222V89.9Confident91.8Very high8 Ų865.4 Ų65.45%0.04831%0.313CS..Hα-helixtrans-62.4-45.3180172.20000110.3A168 L171 V213 A217 S219 R224 Q225 L226A168-V222 HydrophobicContact CB-CG2 3.33Å; L171-V222 HydrophobicContact CD1-CG1 4.22Å; L171-V222 HydrophobicContact CD1-CG2 3.66Å; L171-V222 HydrophobicContact CG-CG2 4.14Å; V213-V222 HydrophobicContact CG1-CG1 3.87Å; A217-V222 HydrophobicContact CB-CG1 4.35Å; S219-V222 WeakPolarHBondContact O-CB 3.39Å; S219-V222 PolarHBondContact O-N 3.35Å; S219-V222 WeakPolarHBondContact OG-CG2 3.32Å; S219-V222 PolarHBondContact OG-N 3.5Å; V222-R224 PolarHBondContact O-N 3.2Å; V222-Q225 PolarHBondContact O-N 3.4Å; V222-L226 HydrophobicContact CG1-CD1 4.07Å; V222-L226 HydrophobicContact CG1-CG 4.39Å; V222-L226 WeakPolarHBondContact O-CG 3.45Å; V222-L226 PolarHBondContact O-N 2.87Å
223K91.7Very high91.7Very high50 Ų5069.9 Ų69.922%0.21733%0.334CS..Hα-helixtrans-55.9-50.8176.7-65.4-167.8174.1138.90112.2M214 N215 A217 S219 E220 Q225 L226 Q227M214-K223 WeakPolarHBondContact O-CD 3.47Å; M214-K223 VanDerWaalsContact O-CE 3.28Å; M214-K223 WeakPolarHBondContact O-CE 3.27Å; M214-K223 WeakPolarHBondContact O-CG 3.46Å; N215-K223 WeakPolarHBondContact O-CE 3.39Å; A217-K223 HydrophobicContact CB-CG 4.3Å; A217-K223 WeakPolarHBondContact O-CE 3.3Å; A217-K223 PolarHBondContact O-NZ 3.2Å; S219-K223 PolarHBondContact O-N 3.44Å; S219-K223 VanDerWaalsContact O-N 3.1Å; E220-K223 IonicContact OE1-NZ 2.89Å; E220-K223 PolarHBondContact OE1-NZ 3.19Å; K223-Q225 PolarHBondContact O-N 3.41Å; K223-L226 PolarHBondContact O-N 3.36Å; K223-Q227 WeakPolarHBondContact O-CB 3.47Å; K223-Q227 PolarHBondContact O-N 3.44Å
224R91.6Very high91.8Very high174 Ų17474.7 Ų74.766%0.65735%0.352SS*.Hα-helixtrans-63.3-40.6179.3-75.3-176.7-71-163.21.7112.7E220 Q221 V222 Q227 S228E220-R224 WeakPolarHBondContact O-CB 3.1Å; E220-R224 WeakPolarHBondContact O-CG 3.48Å; E220-R224 PolarHBondContact O-N 3.04Å; E220-R224 VanDerWaalsContact O-N 3.16Å; E220-R224 PolarHBondContact O-NE 3.38Å; Q221-R224 PolarHBondContact O-N 3.23Å; V222-R224 PolarHBondContact O-N 3.2Å; R224-Q227 PolarHBondContact O-N 3.32Å; R224-S228 WeakPolarHBondContact O-CB 3.3Å; R224-S228 PolarHBondContact O-N 3.47Å
225Q90.5Very high91.8Very high86 Ų8675 Ų7540%0.40236%0.355SS..Hα-helixtrans-61.4-45.8176.2-76.5175.3-23.900111.5Q221 V222 K223 S228 M229Q221-Q225 HydrophobicContact CG-CG 4.48Å; Q221-Q225 WeakPolarHBondContact O-CB 3.36Å; Q221-Q225 VanDerWaalsContact O-CG 3.3Å; Q221-Q225 WeakPolarHBondContact O-CG 3.45Å; Q221-Q225 PolarHBondContact O-N 3.26Å; V222-Q225 PolarHBondContact O-N 3.4Å; K223-Q225 PolarHBondContact O-N 3.41Å; Q225-S228 PolarHBondContact O-N 3.45Å; Q225-M229 WeakPolarHBondContact O-CG 3.43Å; Q225-M229 PolarHBondContact O-N 3.4Å
226L90.8Very high91.9Very high10 Ų1071.2 Ų71.25%0.05234%0.335CS..Hα-helixtrans-65.5-42.2177.9-69.1-179.2000111.8L210 V213 M214 V222 K223 S228 M229 F230L210-L226 HydrophobicContact CD1-CD1 4.12Å; L210-L226 HydrophobicContact CD1-CD2 3.74Å; V213-L226 HydrophobicContact CB-CD1 3.95Å; V213-L226 HydrophobicContact CG1-CD1 3.58Å; M214-L226 HydrophobicContact CG-CB 3.53Å; M214-L226 HydrophobicContact CG-CD1 3.63Å; M214-L226 HydrophobicContact CG-CG 4.23Å; M214-L226 HydrophobicContact SD-CB 3.86Å; V222-L226 HydrophobicContact CG1-CD1 4.07Å; V222-L226 HydrophobicContact CG1-CG 4.39Å; V222-L226 WeakPolarHBondContact O-CG 3.45Å; V222-L226 PolarHBondContact O-N 2.87Å; K223-L226 PolarHBondContact O-N 3.36Å; L226-S228 PolarHBondContact O-N 3.02Å; L226-M229 HydrophobicContact CD2-SD 4.26Å; L226-M229 WeakPolarHBondContact O-CB 3.39Å; L226-M229 PolarHBondContact O-N 2.93Å; L226-M229 VanDerWaalsContact O-N 3.11Å; L226-F230 WeakPolarHBondContact O-CD2 3.28Å; L226-F230 PolarHBondContact O-N 2.85Å; L226-F230 VanDerWaalsContact O-N 3.12Å
227Q92.5Very high91.9Very high92 Ų9274.5 Ų74.543%0.4334%0.344SS..Hα-helixtrans-57.6-47.8174.4-17860.337.500111.7K223 R224 M229 F230 E231K223-Q227 WeakPolarHBondContact O-CB 3.47Å; K223-Q227 PolarHBondContact O-N 3.44Å; R224-Q227 PolarHBondContact O-N 3.32Å; Q227-M229 VanDerWaalsContact C-N 3.26Å; Q227-M229 PolarHBondContact O-N 3.37Å; Q227-F230 WeakPolarHBondContact O-CB 3.32Å; Q227-F230 PolarHBondContact O-N 2.97Å; Q227-F230 VanDerWaalsContact O-N 3.08Å; Q227-E231 WeakPolarHBondContact CG-OE1 2.89Å; Q227-E231 PolarHBondContact NE2-OE1 3.26Å; Q227-E231 PolarHBondContact O-N 2.96Å; Q227-E231 VanDerWaalsContact O-N 3.07Å
228S93.2Very high92Very high44 Ų4475.2 Ų75.231%0.30835%0.35SS..Hα-helixtrans-57.5-39.4175-154.70000111.7R224 Q225 L226 F230 E231 E232R224-S228 WeakPolarHBondContact O-CB 3.3Å; R224-S228 PolarHBondContact O-N 3.47Å; Q225-S228 PolarHBondContact O-N 3.45Å; L226-S228 PolarHBondContact O-N 3.02Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 PolarHBondContact O-N 2.96Å; S228-E231 PolarHBondContact O-N 2.92Å; S228-E232 VanDerWaalsContact O-CB 3.26Å; S228-E232 WeakPolarHBondContact O-CB 3.21Å; S228-E232 WeakPolarHBondContact O-CG 3.21Å; S228-E232 PolarHBondContact O-N 3.14Å; S228-E232 PolarHBondContact OG-OE1 3.37Å
229M91.9Very high92.1Very high19 Ų1975.1 Ų75.19%0.09435%0.352CS..Hα-helixtrans-65.5-33.8177.5-70.4179.3-170.400113H204 Q225 L226 Q227 N233 R234 V235H204-M229 PolarHBondContact CE1-SD 2.81Å; H204-M229 PolarHBondContact ND1-SD 3Å; Q225-M229 WeakPolarHBondContact O-CG 3.43Å; Q225-M229 PolarHBondContact O-N 3.4Å; L226-M229 HydrophobicContact CD2-SD 4.26Å; L226-M229 WeakPolarHBondContact O-CB 3.39Å; L226-M229 PolarHBondContact O-N 2.93Å; L226-M229 VanDerWaalsContact O-N 3.11Å; Q227-M229 VanDerWaalsContact C-N 3.26Å; Q227-M229 PolarHBondContact O-N 3.37Å; M229-N233 PolarHBondContact O-N 3.45Å; M229-R234 HydrophobicContact CB-CB 4.16Å; M229-R234 HydrophobicContact CG-CB 4.42Å; M229-R234 PolarHBondContact O-N 2.64Å; M229-V235 HydrophobicContact CB-CG2 4.22Å
230F91.7Very high92.3Very high53 Ų5376.8 Ų76.823%0.23237%0.366CS..Hα-helixtrans-66.8-47.9172.1-86.1-84.4000110.9L210 H211 M214 L226 Q227 S228 E232 N233 V235L210-F230 HydrophobicContact CD2-CE2 3.71Å; L210-F230 HydrophobicContact CD2-CZ 3.8Å; L210-F230 HydrophobicContact CG-CE2 4.23Å; H211-F230 AromaticContact CE1-CZ 3.7Å; M214-F230 HydrophobicContact CE-CD2 3.88Å; M214-F230 HydrophobicContact CE-CE2 3.38Å; M214-F230 HydrophobicContact CE-CZ 3.94Å; M214-F230 HydrophobicContact SD-CD2 3.42Å; M214-F230 WeakPolarHBondContact SD-CD2 3.48Å; M214-F230 HydrophobicContact SD-CE2 3.26Å; M214-F230 WeakPolarHBondContact SD-CE2 3.47Å; M214-F230 HydrophobicContact SD-CZ 4.36Å; L226-F230 WeakPolarHBondContact O-CD2 3.28Å; L226-F230 PolarHBondContact O-N 2.85Å; L226-F230 VanDerWaalsContact O-N 3.12Å; Q227-F230 WeakPolarHBondContact O-CB 3.32Å; Q227-F230 PolarHBondContact O-N 2.97Å; Q227-F230 VanDerWaalsContact O-N 3.08Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 PolarHBondContact O-N 2.96Å; F230-E232 VanDerWaalsContact C-N 3.29Å; F230-E232 PolarHBondContact O-N 3.44Å; F230-N233 PolarHBondContact O-N 3.35Å; F230-N233 VanDerWaalsContact O-N 3.08Å; F230-V235 HydrophobicContact CB-CG2 4.48Å; F230-V235 HydrophobicContact CD1-CB 4.24Å; F230-V235 HydrophobicContact CD1-CG2 3.88Å; F230-V235 HydrophobicContact CD2-CG2 3.72Å; F230-V235 HydrophobicContact CE1-CB 4.16Å; F230-V235 HydrophobicContact CE1-CG1 3.96Å; F230-V235 HydrophobicContact CE1-CG2 3.98Å; F230-V235 HydrophobicContact CE2-CG2 3.78Å; F230-V235 HydrophobicContact CG-CG2 3.76Å; F230-V235 HydrophobicContact CZ-CB 4.41Å; F230-V235 HydrophobicContact CZ-CG1 3.99Å; F230-V235 HydrophobicContact CZ-CG2 3.93Å
231E94.2Very high92.6Very high134 Ų13471.9 Ų71.963%0.62634%0.343SS*.Hα-helixtrans-61.5-36.6179.6-69.3168.4-16900112.4Q227 S228 N233Q227-E231 WeakPolarHBondContact CG-OE1 2.89Å; Q227-E231 PolarHBondContact NE2-OE1 3.26Å; Q227-E231 PolarHBondContact O-N 2.96Å; Q227-E231 VanDerWaalsContact O-N 3.07Å; S228-E231 PolarHBondContact O-N 2.92Å; E231-N233 VanDerWaalsContact C-N 3.27Å; E231-N233 PolarHBondContact O-N 3.19Å
232E94.1Very high92.9Very high95 Ų9567.5 Ų67.544%0.44432%0.323SS..THydrogen-bonded Turntrans-81.63.4177.6-68.2165.1-150.700113.7S228 F230 R234S228-E232 VanDerWaalsContact O-CB 3.26Å; S228-E232 WeakPolarHBondContact O-CB 3.21Å; S228-E232 WeakPolarHBondContact O-CG 3.21Å; S228-E232 PolarHBondContact O-N 3.14Å; S228-E232 PolarHBondContact OG-OE1 3.37Å; F230-E232 VanDerWaalsContact C-N 3.29Å; F230-E232 PolarHBondContact O-N 3.44Å; E232-R234 HydrophobicContact CB-CG 3.9Å; E232-R234 PolarHBondContact O-N 2.94Å; E232-R234 WeakPolarHBondContact OE2-CD 3.05Å; E232-R234 IonicContact OE2-CZ 2.68Å; E232-R234 IonicContact OE2-NE 2.71Å; E232-R234 IonicContact OE2-NH1 3.93Å; E232-R234 PolarHBondContact OE2-NH1 3.17Å
233N90.5Very high93.2Very high147 Ų14768 Ų6879%0.78633%0.33SS*.THydrogen-bonded Turntrans54.634.9-174.2-62.9-71.1000114M229 F230 E231M229-N233 PolarHBondContact O-N 3.45Å; F230-N233 PolarHBondContact O-N 3.35Å; F230-N233 VanDerWaalsContact O-N 3.08Å; E231-N233 VanDerWaalsContact C-N 3.27Å; E231-N233 PolarHBondContact O-N 3.19Å
234R91.3Very high93.4Very high107 Ų10765.7 Ų65.740%0.40432%0.319SS..  trans-93-5.6178.8-69.4172.363.4-169.9-2.3113.7M229 E232M229-R234 HydrophobicContact CB-CB 4.16Å; M229-R234 HydrophobicContact CG-CB 4.42Å; M229-R234 PolarHBondContact O-N 2.64Å; E232-R234 HydrophobicContact CB-CG 3.9Å; E232-R234 PolarHBondContact O-N 2.94Å; E232-R234 WeakPolarHBondContact OE2-CD 3.05Å; E232-R234 IonicContact OE2-CZ 2.68Å; E232-R234 IonicContact OE2-NE 2.71Å; E232-R234 IonicContact OE2-NH1 3.93Å; E232-R234 PolarHBondContact OE2-NH1 3.17Å
235V92.1Very high93.7Very high27 Ų2757.4 Ų57.416%0.16429%0.288CS..PPolyproline II helixtrans-81128.2170.7-177.30000109.2H204 D206 L210 M229 F230H204-V235 CarbonylContact O-C 3.56Å; H204-V235 WeakPolarHBondContact O-CA 3.46Å; D206-V235 HydrophobicContact CB-CG1 3.69Å; L210-V235 HydrophobicContact CD2-CG1 3.84Å; L210-V235 HydrophobicContact CD2-CG2 4.1Å; M229-V235 HydrophobicContact CB-CG2 4.22Å; F230-V235 HydrophobicContact CB-CG2 4.48Å; F230-V235 HydrophobicContact CD1-CB 4.24Å; F230-V235 HydrophobicContact CD1-CG2 3.88Å; F230-V235 HydrophobicContact CD2-CG2 3.72Å; F230-V235 HydrophobicContact CE1-CB 4.16Å; F230-V235 HydrophobicContact CE1-CG1 3.96Å; F230-V235 HydrophobicContact CE1-CG2 3.98Å; F230-V235 HydrophobicContact CE2-CG2 3.78Å; F230-V235 HydrophobicContact CG-CG2 3.76Å; F230-V235 HydrophobicContact CZ-CB 4.41Å; F230-V235 HydrophobicContact CZ-CG1 3.99Å; F230-V235 HydrophobicContact CZ-CG2 3.93Å
236L93.5Very high94Very high32 Ų3253.6 Ų53.617%0.16827%0.271CS..BIsolated β-bridgetrans-98.4152-171.9-55.8174.1000111.8H204 L205 D206 V241 R263 L266H204-L236 PolarHBondContact O-N 3.3Å; L205-L236 WeakPolarHBondContact CA-O 3.26Å; L205-L236 HydrophobicContact CD2-CB 4.04Å; D206-L236 PolarHBondContact N-O 3.44Å; D206-L236 VanDerWaalsContact N-O 3.15Å; L236-V241 HydrophobicContact CB-CG2 3.67Å; L236-V241 HydrophobicContact CD1-CG2 3.65Å; L236-V241 HydrophobicContact CG-CG2 4.3Å; L236-R263 HydrophobicContact CD1-CG 3.8Å; L236-L266 HydrophobicContact CD1-CD1 4.13Å; L236-L266 HydrophobicContact CD2-CD1 4.19Å
237K93.4Very high94.2Very high163 Ų16358 Ų5871%0.70929%0.287SS*.PPolyproline II helixtrans-79.2135.4169.9-64.1-174179.3-177.20110.5E239 A240 V241K237-E239 VanDerWaalsContact C-N 3.3Å; K237-E239 PolarHBondContact O-N 3.16Å; K237-A240 HydrophobicContact CB-CB 4.44Å; K237-A240 PolarHBondContact O-N 3.1Å; K237-V241 PolarHBondContact O-N 3.03Å
238A93.8Very high94.3Very high15 Ų1555.6 Ų55.612%0.12427%0.274CS..Hα-helixtrans-56.2-40.6-179.100000113.3L21 V241 A242L21-A238 WeakPolarHBondContact CD1-O 3.24Å; A238-V241 PolarHBondContact O-N 3.33Å; A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 3.16Å
239E95Very high94.5Very high118 Ų11853.5 Ų53.555%0.55126%0.259SS*.Hα-helixtrans-61.4-46.8177.5-174.7-178-172.300112.3K237 V241 A242 G243K237-E239 VanDerWaalsContact C-N 3.3Å; K237-E239 PolarHBondContact O-N 3.16Å; E239-V241 VanDerWaalsContact C-N 3.29Å; E239-V241 PolarHBondContact O-N 3.15Å; E239-A242 PolarHBondContact O-N 3.37Å; E239-G243 PolarHBondContact O-N 3.39Å
240A95.6Very high94.7Very high44 Ų4453 Ų5336%0.36426%0.258SS..Hα-helixtrans-61.2-41.3178.600000111.2K237 G243 A244 L266K237-A240 HydrophobicContact CB-CB 4.44Å; K237-A240 PolarHBondContact O-N 3.1Å; A240-G243 PolarHBondContact O-N 2.85Å; A240-A244 PolarHBondContact O-N 2.85Å; A240-L266 HydrophobicContact CB-CD2 4.2Å
241V96.5Very high94.7Very high0 Ų051.9 Ų51.90%026%0.257CS..Hα-helixtrans-69.9-37.5177.9175.60000111.9L21 F200 P202 L205 L236 K237 A238 E239 G243 A244 F245 A262 L266L21-V241 HydrophobicContact CD1-CB 3.93Å; L21-V241 HydrophobicContact CD1-CG1 3.7Å; L21-V241 HydrophobicContact CD2-CG1 4.37Å; F200-V241 HydrophobicContact CE1-CG1 4.1Å; P202-V241 HydrophobicContact CB-CG1 3.68Å; L205-V241 HydrophobicContact CD2-CB 4.03Å; L205-V241 HydrophobicContact CD2-CG1 4.23Å; L205-V241 HydrophobicContact CD2-CG2 3.61Å; L236-V241 HydrophobicContact CB-CG2 3.67Å; L236-V241 HydrophobicContact CD1-CG2 3.65Å; L236-V241 HydrophobicContact CG-CG2 4.3Å; K237-V241 PolarHBondContact O-N 3.03Å; A238-V241 PolarHBondContact O-N 3.33Å; E239-V241 VanDerWaalsContact C-N 3.29Å; E239-V241 PolarHBondContact O-N 3.15Å; V241-G243 VanDerWaalsContact C-N 3.34Å; V241-A244 PolarHBondContact O-N 2.98Å; V241-F245 WeakPolarHBondContact O-CB 3.41Å; V241-F245 PolarHBondContact O-N 3.34Å; V241-A262 HydrophobicContact CG1-CB 3.81Å; V241-A262 HydrophobicContact CG2-CB 4.32Å; V241-L266 HydrophobicContact CG2-CD1 4.35Å
242A96.9Very high94.6Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-60.4-4517100000110.9L21 H24 M25 A238 E239 A244 F245 L246L21-A242 HydrophobicContact CD1-CB 3.96Å; H24-A242 HydrophobicContact CB-CB 3.57Å; M25-A242 HydrophobicContact CG-CB 3.82Å; A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 3.16Å; E239-A242 PolarHBondContact O-N 3.37Å; A242-A244 VanDerWaalsContact C-N 3.34Å; A242-A244 PolarHBondContact O-N 2.89Å; A242-F245 WeakPolarHBondContact O-CB 3.42Å; A242-F245 PolarHBondContact O-N 2.94Å; A242-L246 WeakPolarHBondContact O-CD1 3.29Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.13Å
243G96Very high94.5Very high19 Ų1949 Ų4920%0.19624%0.244CC..Hα-helixtrans-58.6-43.6174.200000112.7E239 A240 V241 L246 R247E239-G243 PolarHBondContact O-N 3.39Å; A240-G243 PolarHBondContact O-N 2.85Å; V241-G243 VanDerWaalsContact C-N 3.34Å; G243-L246 PolarHBondContact O-N 2.99Å; G243-R247 WeakPolarHBondContact O-CG 3.24Å; G243-R247 PolarHBondContact O-N 3.27Å
244A96.7Very high94.8Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-62.3-46176.200000112.2A240 V241 A242 L246 R247 Y248 V265 L266A240-A244 PolarHBondContact O-N 2.85Å; V241-A244 PolarHBondContact O-N 2.98Å; A242-A244 VanDerWaalsContact C-N 3.34Å; A242-A244 PolarHBondContact O-N 2.89Å; A244-L246 VanDerWaalsContact C-N 3.32Å; A244-L246 PolarHBondContact O-N 3.22Å; A244-R247 PolarHBondContact O-N 2.83Å; A244-Y248 PolarHBondContact O-N 3.24Å; A244-V265 HydrophobicContact CB-CB 4.11Å; A244-V265 HydrophobicContact CB-CG1 3.98Å; A244-V265 VanDerWaalsContact O-CG1 3.3Å; A244-V265 WeakPolarHBondContact O-CG1 3.24Å; A244-L266 HydrophobicContact CB-CD2 3.97Å; A244-L266 HydrophobicContact CB-CG 3.87Å
245F97.3Very high95Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-53.8-48.2174.8168.6-109.9000112.1M25 V104 V157 M159 F200 V241 A242 Y248 L249M25-F245 HydrophobicContact CB-CD1 4.45Å; M25-F245 HydrophobicContact CG-CD1 3.81Å; M25-F245 HydrophobicContact CG-CE1 4.28Å; M25-F245 HydrophobicContact SD-CB 4.46Å; M25-F245 HydrophobicContact SD-CD1 3.4Å; M25-F245 WeakPolarHBondContact SD-CD1 3.44Å; M25-F245 HydrophobicContact SD-CE1 3.65Å; M25-F245 HydrophobicContact SD-CG 3.89Å; M25-F245 HydrophobicContact SD-CZ 4.33Å; V104-F245 HydrophobicContact CG2-CZ 4.4Å; V157-F245 HydrophobicContact CB-CE2 4.41Å; V157-F245 HydrophobicContact CG1-CE2 3.66Å; V157-F245 HydrophobicContact CG1-CZ 4.22Å; V157-F245 HydrophobicContact CG2-CE2 4.14Å; V157-F245 HydrophobicContact CG2-CZ 4.3Å; M159-F245 HydrophobicContact CE-CD2 4.01Å; M159-F245 HydrophobicContact CE-CE1 4.45Å; M159-F245 HydrophobicContact CE-CE2 3.73Å; M159-F245 HydrophobicContact CE-CG 4.49Å; M159-F245 HydrophobicContact CE-CZ 3.93Å; F200-F245 HydrophobicContact CB-CD2 4.39Å; F200-F245 HydrophobicContact CD1-CB 4.32Å; F200-F245 AromaticContact CD1-CD2 3.98Å; F200-F245 HydrophobicContact CD1-CD2 3.98Å; F200-F245 HydrophobicContact CD2-CD2 4.02Å; F200-F245 HydrophobicContact CE1-CB 3.75Å; F200-F245 HydrophobicContact CE1-CD2 4.25Å; F200-F245 HydrophobicContact CE1-CG 4.44Å; F200-F245 HydrophobicContact CE2-CB 4.2Å; F200-F245 HydrophobicContact CE2-CD2 4.29Å; F200-F245 AromaticContact CG-CD2 3.86Å; F200-F245 HydrophobicContact CG-CD2 3.86Å; F200-F245 VanDerWaalsContact CZ-CA 3.5Å; F200-F245 HydrophobicContact CZ-CB 3.68Å; F200-F245 HydrophobicContact CZ-CD2 4.39Å; V241-F245 WeakPolarHBondContact O-CB 3.41Å; V241-F245 PolarHBondContact O-N 3.34Å; A242-F245 WeakPolarHBondContact O-CB 3.42Å; A242-F245 PolarHBondContact O-N 2.94Å; F245-Y248 PolarHBondContact O-N 3.12Å; F245-L249 HydrophobicContact CD1-CD1 4.48Å; F245-L249 HydrophobicContact CD2-CD1 4.41Å; F245-L249 HydrophobicContact CD2-CG 4.45Å; F245-L249 HydrophobicContact CE1-CD1 3.74Å; F245-L249 HydrophobicContact CE2-CD1 3.61Å; F245-L249 HydrophobicContact CE2-CD2 4.4Å; F245-L249 HydrophobicContact CE2-CG 3.94Å; F245-L249 HydrophobicContact CZ-CD1 3.26Å; F245-L249 HydrophobicContact CZ-CG 4.1Å; F245-L249 PolarHBondContact O-N 3.46Å
246L96.4Very high95.3Very high7 Ų746 Ų464%0.03724%0.235CC..Hα-helixtrans-70.5-36.6-177.6-60.2160000112.7W6 H28 M29 L32 A242 G243 A244 A250W6-L246 HydrophobicContact CH2-CD2 3.94Å; W6-L246 HydrophobicContact CZ2-CB 4.35Å; W6-L246 HydrophobicContact CZ2-CD2 3.61Å; W6-L246 PolarHBondContact NE1-O 3.23Å; H28-L246 HydrophobicContact CB-CD1 3.18Å; H28-L246 HydrophobicContact CB-CG 4.48Å; M29-L246 HydrophobicContact CG-CD2 3.71Å; L32-L246 HydrophobicContact CD1-CB 4.21Å; L32-L246 HydrophobicContact CD1-CD1 4.31Å; L32-L246 HydrophobicContact CD1-CD2 4.11Å; L32-L246 HydrophobicContact CD1-CG 4.43Å; A242-L246 WeakPolarHBondContact O-CD1 3.29Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.13Å; G243-L246 PolarHBondContact O-N 2.99Å; A244-L246 VanDerWaalsContact C-N 3.32Å; A244-L246 PolarHBondContact O-N 3.22Å; L246-A250 WeakPolarHBondContact O-CB 3.17Å; L246-A250 PolarHBondContact O-N 3.23Å
247R95Very high95.4Very high103 Ų10345.4 Ų45.439%0.38924%0.237SC..Hα-helixtrans-62.8-43173-75.7-163.1-51.7-84.84.3111.3G243 A244 A250 S251 V265G243-R247 WeakPolarHBondContact O-CG 3.24Å; G243-R247 PolarHBondContact O-N 3.27Å; A244-R247 PolarHBondContact O-N 2.83Å; R247-A250 WeakPolarHBondContact O-CB 3.04Å; R247-A250 PolarHBondContact O-N 3.28Å; R247-S251 PolarHBondContact O-N 3.04Å; R247-V265 PolarHBondContact NH2-O 3.16Å
248Y96Very high95.5Very high41 Ų4138.7 Ų38.716%0.16121%0.21CC..Hα-helixtrans-61.2-50.7176.5-178.5-97.6000111.1L198 A244 F245 A250 S251 I254 V260 V265L198-Y248 HydrophobicContact CD1-CD1 4.41Å; L198-Y248 HydrophobicContact CD1-CE1 3.6Å; L198-Y248 HydrophobicContact CD2-CD1 3.71Å; L198-Y248 HydrophobicContact CD2-CE1 3.57Å; L198-Y248 HydrophobicContact CG-CE1 4.23Å; A244-Y248 PolarHBondContact O-N 3.24Å; F245-Y248 PolarHBondContact O-N 3.12Å; Y248-A250 PolarHBondContact O-N 3.28Å; Y248-S251 PolarHBondContact O-N 3.13Å; Y248-S251 VanDerWaalsContact O-N 3.1Å; Y248-S251 PolarHBondContact O-OG 2.82Å; Y248-I254 HydrophobicContact CE1-CG1 4.15Å; Y248-V260 HydrophobicContact CD1-CG1 4.43Å; Y248-V260 HydrophobicContact CD2-CG1 3.79Å; Y248-V260 HydrophobicContact CD2-CG2 4.47Å; Y248-V260 HydrophobicContact CE1-CG2 3.96Å; Y248-V260 HydrophobicContact CE2-CB 4.43Å; Y248-V260 HydrophobicContact CE2-CG1 3.87Å; Y248-V260 HydrophobicContact CE2-CG2 3.74Å; Y248-V260 HydrophobicContact CG-CG1 4.09Å; Y248-V260 VanDerWaalsContact CZ-CG2 3.46Å; Y248-V260 WeakPolarHBondContact OH-CG2 3.25Å; Y248-V265 HydrophobicContact CD2-CG2 4.16Å
249L96.6Very high95.6Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-59.4-35.1177-70-174.3000112.3F5 W6 V157 L198 F245 S251 N252 I254F5-L249 WeakPolarHBondContact CB-O 3.24Å; F5-L249 HydrophobicContact CD1-CB 3.98Å; F5-L249 WeakPolarHBondContact CD2-O 3.18Å; F5-L249 HydrophobicContact CE1-CB 4Å; F5-L249 HydrophobicContact CE1-CD1 3.96Å; F5-L249 HydrophobicContact CE1-CG 4.41Å; F5-L249 HydrophobicContact CE2-CD2 4.31Å; F5-L249 HydrophobicContact CG-CB 4.31Å; F5-L249 WeakPolarHBondContact CG-O 3.39Å; F5-L249 HydrophobicContact CZ-CB 4.34Å; F5-L249 HydrophobicContact CZ-CD1 4.17Å; F5-L249 HydrophobicContact CZ-CD2 4.1Å; F5-L249 HydrophobicContact CZ-CG 4.45Å; W6-L249 HydrophobicContact CH2-CB 4.25Å; W6-L249 HydrophobicContact CH2-CD1 3.58Å; W6-L249 HydrophobicContact CZ2-CB 3.51Å; W6-L249 HydrophobicContact CZ2-CD1 3.61Å; W6-L249 HydrophobicContact CZ2-CG 4.19Å; V157-L249 HydrophobicContact CG2-CD2 4.36Å; L198-L249 HydrophobicContact CD2-CD2 3.88Å; F245-L249 HydrophobicContact CD1-CD1 4.48Å; F245-L249 HydrophobicContact CD2-CD1 4.41Å; F245-L249 HydrophobicContact CD2-CG 4.45Å; F245-L249 HydrophobicContact CE1-CD1 3.74Å; F245-L249 HydrophobicContact CE2-CD1 3.61Å; F245-L249 HydrophobicContact CE2-CD2 4.4Å; F245-L249 HydrophobicContact CE2-CG 3.94Å; F245-L249 HydrophobicContact CZ-CD1 3.26Å; F245-L249 HydrophobicContact CZ-CG 4.1Å; F245-L249 PolarHBondContact O-N 3.46Å; L249-S251 PolarHBondContact O-N 3.38Å; L249-N252 PolarHBondContact O-N 3.41Å; L249-I254 HydrophobicContact CD2-CD1 3.72Å; L249-I254 HydrophobicContact CD2-CG1 4.43Å
250A95.4Very high95.6Very high8 Ų835.9 Ų35.97%0.06620%0.2CC..Hα-helixtrans-60.5-24.3178.400000114.2M1 L246 R247 Y248 N252M1-A250 HydrophobicContact CG-CB 4.18Å; M1-A250 HydrophobicContact SD-CB 4.19Å; L246-A250 WeakPolarHBondContact O-CB 3.17Å; L246-A250 PolarHBondContact O-N 3.23Å; R247-A250 WeakPolarHBondContact O-CB 3.04Å; R247-A250 PolarHBondContact O-N 3.28Å; Y248-A250 PolarHBondContact O-N 3.28Å; A250-N252 PolarHBondContact O-N 3.43Å
251S93Very high95.5Very high29 Ų2934.5 Ų34.520%0.20319%0.186CC..Hα-helixtrans-67.4-29.5175.275.50000111.9R247 Y248 L249 E253R247-S251 PolarHBondContact O-N 3.04Å; Y248-S251 PolarHBondContact O-N 3.13Å; Y248-S251 VanDerWaalsContact O-N 3.1Å; Y248-S251 PolarHBondContact O-OG 2.82Å; L249-S251 PolarHBondContact O-N 3.38Å; S251-E253 PolarHBondContact O-N 3.3Å; S251-E253 PolarHBondContact OG-N 2.94Å
252N92.1Very high95.5Very high37 Ų3734.5 Ų34.520%0.19819%0.186CC..THydrogen-bonded Turntrans58.130.1-170.1-157.916.1000113.9R4 F5 E153 L249 A250R4-N252 HydrophobicContact CB-CB 3.77Å; R4-N252 PolarHBondContact O-ND2 2.8Å; F5-N252 HydrophobicContact CB-CB 4.08Å; F5-N252 HydrophobicContact CD2-CB 4.39Å; F5-N252 WeakPolarHBondContact CD2-OD1 3.45Å; E153-N252 PolarHBondContact OE1-OD1 3.41Å; L249-N252 PolarHBondContact O-N 3.41Å; A250-N252 PolarHBondContact O-N 3.43Å
253E92.7Very high95.2Very high132 Ų13237.6 Ų37.662%0.61720%0.198SC*.  trans-10638.4-177.2-65.5172.4166.700111.8S251 E255S251-E253 PolarHBondContact O-N 3.3Å; S251-E253 PolarHBondContact OG-N 2.94Å; E253-E255 PolarHBondContact O-N 3.05Å; E253-E255 VanDerWaalsContact O-N 3.12Å
254I95.5Very high95.1Very high12 Ų1243.2 Ų43.26%0.06222%0.219CC..  trans-69.9110.3-179.5-56.1172.3000109.6F5 V155 K196 L198 Y248 L249F5-I254 HydrophobicContact CE2-CD1 4.03Å; V155-I254 HydrophobicContact CG1-CD1 3.74Å; V155-I254 HydrophobicContact CG2-CD1 4.45Å; K196-I254 HydrophobicContact CB-CG2 4.14Å; K196-I254 HydrophobicContact CD-CB 4.25Å; L198-I254 HydrophobicContact CB-CG2 3.97Å; Y248-I254 HydrophobicContact CE1-CG1 4.15Å; L249-I254 HydrophobicContact CD2-CD1 3.72Å; L249-I254 HydrophobicContact CD2-CG1 4.43Å
255E95.9Very high95Very high149 Ų14944.3 Ų44.370%0.69623%0.226SC*.  trans-77.3121.8162.1-178.1-179.6-174.100109.2E253 G257 S258E253-E255 PolarHBondContact O-N 3.05Å; E253-E255 VanDerWaalsContact O-N 3.12Å; E255-G257 PolarHBondContact O-N 3.42Å; E255-S258 WeakPolarHBondContact O-CB 3.49Å; E255-S258 PolarHBondContact O-N 3.07Å; E255-S258 VanDerWaalsContact O-N 3.11Å; E255-S258 PolarHBondContact O-OG 3.34Å
256S97.6Very high94.8Very high56 Ų5647.1 Ų47.139%0.39224%0.241SC..THydrogen-bonded Turntrans-66.7130.9-174.6-158.10000111.5I195 V197 S258I195-S256 PolarHBondContact O-OG 3.35Å; V197-S256 PolarHBondContact N-OG 3.46Å; V197-S256 CarbonylContact O-C 3.46Å; V197-S256 WeakPolarHBondContact O-CA 3.47Å; S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 3.08Å
257G95.8Very high94.4Very high21 Ų2157.5 Ų57.522%0.21628%0.279CS..THydrogen-bonded Turntrans81.4-2.3-174.900000114.4N186 V197 E255N186-G257 WeakPolarHBondContact OD1-CA 3.39Å; V197-G257 PolarHBondContact O-N 3.22Å; E255-G257 PolarHBondContact O-N 3.42Å
258S95.7Very high93.6Very high21 Ų2157.6 Ų57.615%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-68.6153.8177.667.10000112.5H199 E255 S256H199-S258 WeakPolarHBondContact CB-O 3.29Å; H199-S258 PolarHBondContact N-O 2.94Å; E255-S258 WeakPolarHBondContact O-CB 3.49Å; E255-S258 PolarHBondContact O-N 3.07Å; E255-S258 VanDerWaalsContact O-N 3.11Å; E255-S258 PolarHBondContact O-OG 3.34Å; S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 3.08Å
259V95.2Very high93.5Very high61 Ų6158.5 Ų58.537%0.3732%0.32SS..EExtended strand (participates in β ladder)trans-109.7126.3174.4-178.70000108.7H199 Q201H199-V259 HydrophobicContact CB-CB 4.48Å; H199-V259 HydrophobicContact CB-CG2 4Å; H199-V259 WeakPolarHBondContact O-CA 3.36Å; Q201-V259 HydrophobicContact CG-CG1 3.74Å
260V95.4Very high93.4Very high13 Ų1361.5 Ų61.58%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-122.4122-178.3175.30000109.7L198 H199 F200 Q201 Y248 V265L198-V260 HydrophobicContact CD1-CB 4.08Å; L198-V260 HydrophobicContact CD1-CG2 3.6Å; H199-V260 PolarHBondContact O-N 2.99Å; F200-V260 HydrophobicContact CD2-CB 4.26Å; F200-V260 HydrophobicContact CD2-CG1 4.08Å; F200-V260 HydrophobicContact CE2-CG1 4.11Å; Q201-V260 PolarHBondContact N-O 3.16Å; Y248-V260 HydrophobicContact CD1-CG1 4.43Å; Y248-V260 HydrophobicContact CD2-CG1 3.79Å; Y248-V260 HydrophobicContact CD2-CG2 4.47Å; Y248-V260 HydrophobicContact CE1-CG2 3.96Å; Y248-V260 HydrophobicContact CE2-CB 4.43Å; Y248-V260 HydrophobicContact CE2-CG1 3.87Å; Y248-V260 HydrophobicContact CE2-CG2 3.74Å; Y248-V260 HydrophobicContact CG-CG1 4.09Å; Y248-V260 VanDerWaalsContact CZ-CG2 3.46Å; Y248-V260 WeakPolarHBondContact OH-CG2 3.25Å; V260-V265 HydrophobicContact CG1-CG2 3.72Å
261D94.1Very high93.3Very high15 Ų1564.5 Ų64.58%0.0835%0.352CS..EExtended strand (participates in β ladder)trans-89.6125.1177.6-172.8-24.4000110.9R263 Q264 V265D261-R263 PolarHBondContact O-N 2.87Å; D261-R263 VanDerWaalsContact O-N 3.12Å; D261-R263 VanDerWaalsContact OD1-CB 3.27Å; D261-R263 WeakPolarHBondContact OD1-CB 3.43Å; D261-R263 WeakPolarHBondContact OD1-CG 3.48Å; D261-R263 PolarHBondContact OD1-N 2.59Å; D261-R263 IonicContact OD1-NE 3.83Å; D261-R263 PolarHBondContact OD1-NE 2.98Å; D261-R263 VanDerWaalsContact OD1-NE 3.17Å; D261-R263 IonicContact OD2-CZ 3.45Å; D261-R263 IonicContact OD2-NE 3.64Å; D261-R263 PolarHBondContact OD2-NE 3.35Å; D261-R263 IonicContact OD2-NH2 3.35Å; D261-R263 PolarHBondContact OD2-NH2 3.07Å; D261-Q264 HydrophobicContact CB-CG 4.07Å; D261-Q264 WeakPolarHBondContact O-CB 3.48Å; D261-Q264 PolarHBondContact O-N 2.77Å; D261-V265 PolarHBondContact O-N 3.22Å
262A95.3Very high93.3Very high0 Ų066.6 Ų66.60%036%0.361CS..Hα-helixtrans-53.1-33.2175.800000112.8F200 Q201 V241 Q264 V265 L266F200-A262 HydrophobicContact CE1-CB 3.88Å; F200-A262 HydrophobicContact CZ-CB 3.64Å; Q201-A262 WeakPolarHBondContact O-CB 3.47Å; Q201-A262 PolarHBondContact O-N 2.93Å; V241-A262 HydrophobicContact CG1-CB 3.81Å; V241-A262 HydrophobicContact CG2-CB 4.32Å; A262-Q264 VanDerWaalsContact C-N 3.29Å; A262-Q264 PolarHBondContact O-N 3.04Å; A262-V265 PolarHBondContact O-N 3.23Å; A262-L266 WeakPolarHBondContact O-CB 3.13Å; A262-L266 VanDerWaalsContact O-CG 3.25Å; A262-L266 WeakPolarHBondContact O-CG 3.44Å; A262-L266 PolarHBondContact O-N 3.15Å
263R92.5Very high93.3Very high65 Ų6568.4 Ų68.425%0.24537%0.371CS..Hα-helixtrans-63.6-34.2176.9-64.1175-67.3-167.62.2112.5L236 D261 R267L236-R263 HydrophobicContact CD1-CG 3.8Å; D261-R263 PolarHBondContact O-N 2.87Å; D261-R263 VanDerWaalsContact O-N 3.12Å; D261-R263 VanDerWaalsContact OD1-CB 3.27Å; D261-R263 WeakPolarHBondContact OD1-CB 3.43Å; D261-R263 WeakPolarHBondContact OD1-CG 3.48Å; D261-R263 PolarHBondContact OD1-N 2.59Å; D261-R263 IonicContact OD1-NE 3.83Å; D261-R263 PolarHBondContact OD1-NE 2.98Å; D261-R263 VanDerWaalsContact OD1-NE 3.17Å; D261-R263 IonicContact OD2-CZ 3.45Å; D261-R263 IonicContact OD2-NE 3.64Å; D261-R263 PolarHBondContact OD2-NE 3.35Å; D261-R263 IonicContact OD2-NH2 3.35Å; D261-R263 PolarHBondContact OD2-NH2 3.07Å; R263-R267 WeakPolarHBondContact O-CG 3.14Å; R263-R267 PolarHBondContact O-N 3.18Å
264Q92.6Very high93.4Very high137 Ų13764.2 Ų64.264%0.6436%0.355SS*.Hα-helixtrans-69.8-42.3176-65.3174.1-3.500110D261 A262 L266 R267 G268D261-Q264 HydrophobicContact CB-CG 4.07Å; D261-Q264 WeakPolarHBondContact O-CB 3.48Å; D261-Q264 PolarHBondContact O-N 2.77Å; A262-Q264 VanDerWaalsContact C-N 3.29Å; A262-Q264 PolarHBondContact O-N 3.04Å; Q264-L266 VanDerWaalsContact C-N 3.3Å; Q264-L266 PolarHBondContact O-N 3.27Å; Q264-R267 PolarHBondContact O-N 3.11Å; Q264-G268 PolarHBondContact O-N 3.31Å
265V94.6Very high93.2Very high24 Ų2467.9 Ų67.915%0.14538%0.376CS..Hα-helixtrans-71.7-22.4178-173.10000113.2A244 R247 Y248 V260 D261 A262A244-V265 HydrophobicContact CB-CB 4.11Å; A244-V265 HydrophobicContact CB-CG1 3.98Å; A244-V265 VanDerWaalsContact O-CG1 3.3Å; A244-V265 WeakPolarHBondContact O-CG1 3.24Å; R247-V265 PolarHBondContact NH2-O 3.16Å; Y248-V265 HydrophobicContact CD2-CG2 4.16Å; V260-V265 HydrophobicContact CG1-CG2 3.72Å; D261-V265 PolarHBondContact O-N 3.22Å; A262-V265 PolarHBondContact O-N 3.23Å
266L93.5Very high93Very high59 Ų5961.7 Ų61.731%0.30935%0.351SS..Hα-helixtrans-79.2-23.1174-77.2167.7000113.3L236 A240 V241 A244 A262 Q264L236-L266 HydrophobicContact CD1-CD1 4.13Å; L236-L266 HydrophobicContact CD2-CD1 4.19Å; A240-L266 HydrophobicContact CB-CD2 4.2Å; V241-L266 HydrophobicContact CG2-CD1 4.35Å; A244-L266 HydrophobicContact CB-CD2 3.97Å; A244-L266 HydrophobicContact CB-CG 3.87Å; A262-L266 WeakPolarHBondContact O-CB 3.13Å; A262-L266 VanDerWaalsContact O-CG 3.25Å; A262-L266 WeakPolarHBondContact O-CG 3.44Å; A262-L266 PolarHBondContact O-N 3.15Å; Q264-L266 VanDerWaalsContact C-N 3.3Å; Q264-L266 PolarHBondContact O-N 3.27Å
267R88.5Confident92.6Very high224 Ų22462.2 Ų62.285%0.84535%0.347SS*.Hα-helixtrans-88.1-23.2179.6-73175.5-175.8-175.20.8113.5R263 Q264R263-R267 WeakPolarHBondContact O-CG 3.14Å; R263-R267 PolarHBondContact O-N 3.18Å; Q264-R267 PolarHBondContact O-N 3.11Å
268G78.5Confident92.4Very high106 Ų10665.9 Ų65.9100%1.09336%0.359SS*.  trans-90.10174.200000111.7Q264Q264-G268 PolarHBondContact O-N 3.31Å

Retrieved 268 of 268 residues in 529.4 ms (Link to these results)

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