A0A087XTP2_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087XTP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 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
1M61.8Low93.9Very high244 Ų24457.5 Ų57.5100%1.20231%0.305SS*.  0144.50-76.5172.1-171.100108.4
2A86.3Confident94.3Very high100 Ų10053.3 Ų53.383%0.82629%0.285SS*.PPolyproline II helixtrans-69.1143.4175.100000110.3
3K95Very high94.6Very high71 Ų7157.9 Ų57.931%0.30931%0.31SS..PPolyproline II helixtrans-72.5132.7175.5-72.2170.8-176.1174.40109.5E23 L24 D27K3-E23 HydrophobicContact CB-CG 3.62Å; K3-E23 HydrophobicContact CD-CG 4.02Å; K3-E23 WeakPolarHBondContact CD-OE1 3.5Å; K3-E23 HydrophobicContact CG-CG 4.49Å; K3-E23 IonicContact NZ-OE1 3.2Å; K3-L24 WeakPolarHBondContact CB-O 3.33Å; K3-D27 VanDerWaalsContact CE-CG 3.47Å; K3-D27 VanDerWaalsContact CE-OD1 3.26Å; K3-D27 WeakPolarHBondContact CE-OD1 3.5Å; K3-D27 VanDerWaalsContact CE-OD2 3.31Å; K3-D27 WeakPolarHBondContact CE-OD2 3.33Å; K3-D27 IonicContact NZ-OD2 3.6Å
4P97.9Very high94.8Very high27 Ų2758.1 Ų58.118%0.17533%0.332CS..PPolyproline II helixtrans-60.2139.3177.5-21.932.4000111.4L24 A26 R37P4-L24 HydrophobicContact CB-CB 4.47Å; P4-L24 HydrophobicContact CB-CD1 4.38Å; P4-L24 PolarHBondContact O-N 3.43Å; P4-A26 HydrophobicContact CG-CB 4.19Å; P4-R37 HydrophobicContact CB-CG 4.42Å
5R98.7Very high95Very high105 Ų10559.5 Ų59.540%0.39635%0.347SS..EExtended strand (participates in β ladder)trans-112.7135.1169.6-69.7-176.7177.5-172.9-1109.9V21 M22 E23 Q163 L164R5-V21 HydrophobicContact CB-CG1 4.48Å; R5-M22 CarbonylContact C-O 3.53Å; R5-M22 VanDerWaalsContact CA-O 3.29Å; R5-M22 WeakPolarHBondContact CA-O 3.42Å; R5-E23 HydrophobicContact CG-CB 4.27Å; R5-E23 HydrophobicContact CG-CG 4.31Å; R5-E23 IonicContact CZ-OE2 3.25Å; R5-E23 IonicContact NE-OE2 3.41Å; R5-E23 PolarHBondContact NE-OE2 3.19Å; R5-E23 VanDerWaalsContact NE-OE2 3.14Å; R5-E23 IonicContact NH2-OE2 2.75Å; R5-E23 PolarHBondContact NH2-OE2 3.09Å; R5-Q163 WeakPolarHBondContact O-CA 3.4Å; R5-Q163 WeakPolarHBondContact O-CG 3.26Å; R5-L164 HydrophobicContact CB-CB 4.23Å; R5-L164 HydrophobicContact CB-CD1 4.35Å; R5-L164 PolarHBondContact O-N 3.32Å
6V98.9Very high95.2Very high0 Ų062.9 Ų62.90%037%0.372CS..EExtended strand (participates in β ladder)trans-130.5158.2179.5-640000109.8V21 M22 L24 F36 R37 C40 G162 Q163V6-V21 WeakPolarHBondContact O-CA 3.42Å; V6-M22 HydrophobicContact CG2-CB 4.14Å; V6-M22 HydrophobicContact CG2-CE 4.13Å; V6-M22 PolarHBondContact N-O 3.29Å; V6-M22 PolarHBondContact O-N 3.26Å; V6-L24 HydrophobicContact CG1-CD1 4.09Å; V6-L24 HydrophobicContact CG2-CD1 4.13Å; V6-L24 HydrophobicContact CG2-CD2 4.06Å; V6-L24 HydrophobicContact CG2-CG 4.17Å; V6-F36 HydrophobicContact CG2-CD1 3.98Å; V6-F36 HydrophobicContact CG2-CE1 3.74Å; V6-R37 HydrophobicContact CG1-CB 4.44Å; V6-R37 HydrophobicContact CG1-CG 4.08Å; V6-C40 HydrophobicContact CB-CB 4.07Å; V6-C40 HydrophobicContact CG1-CB 4.06Å; V6-G162 CarbonylContact C-O 3.59Å; V6-G162 WeakPolarHBondContact CA-O 3.46Å; V6-G162 VanDerWaalsContact CB-O 3.28Å; V6-G162 WeakPolarHBondContact CB-O 3.4Å; V6-Q163 HydrophobicContact CG1-CB 4.38Å
7F98.9Very high95.4Very high22 Ų2260.5 Ų60.510%0.09636%0.357CS..EExtended strand (participates in β ladder)trans-129.3155.8-179.474.3-88.8000112.8R19 I20 V21 C161 G162 L164F7-R19 HydrophobicContact CB-CG 4.11Å; F7-R19 HydrophobicContact CD2-CG 4.48Å; F7-I20 CarbonylContact C-O 3.57Å; F7-I20 WeakPolarHBondContact CA-O 3.19Å; F7-V21 HydrophobicContact CB-CG2 4.48Å; F7-C161 VanDerWaalsContact O-CA 3.25Å; F7-C161 WeakPolarHBondContact O-CA 3.08Å; F7-C161 WeakPolarHBondContact O-CB 3.41Å; F7-G162 WeakPolarHBondContact CD1-O 3.36Å; F7-G162 VanDerWaalsContact CE1-CA 3.48Å; F7-G162 PolarHBondContact N-O 3.35Å; F7-G162 PolarHBondContact O-N 2.85Å; F7-L164 HydrophobicContact CD1-CD2 3.61Å; F7-L164 HydrophobicContact CD1-CG 4.08Å; F7-L164 HydrophobicContact CE1-CD2 4.24Å; F7-L164 HydrophobicContact CG-CD2 4.35Å
8F98.9Very high95.6Very high0 Ų058.7 Ų58.70%035%0.353CS..EExtended strand (participates in β ladder)trans-125.7127.7164.5-65.7-30.4000110.2I10 R19 I20 M22 F36 C40 Y48 F53 F112 I158 C161F8-I10 HydrophobicContact CB-CD1 3.8Å; F8-I10 HydrophobicContact CB-CG1 4.43Å; F8-R19 CarbonylContact O-C 3.51Å; F8-R19 VanDerWaalsContact O-CA 3.3Å; F8-R19 WeakPolarHBondContact O-CA 3.46Å; F8-I20 PolarHBondContact N-O 3.15Å; F8-I20 PolarHBondContact O-N 2.85Å; F8-M22 HydrophobicContact CB-CE 4.4Å; F8-M22 HydrophobicContact CD1-CE 4.22Å; F8-M22 HydrophobicContact CD2-CE 3.41Å; F8-M22 VanDerWaalsContact CD2-CE 3.41Å; F8-M22 HydrophobicContact CD2-SD 4.14Å; F8-M22 HydrophobicContact CE1-CE 4.4Å; F8-M22 HydrophobicContact CE2-CE 3.6Å; F8-M22 HydrophobicContact CE2-SD 4Å; F8-M22 HydrophobicContact CG-CE 3.74Å; F8-M22 HydrophobicContact CZ-CE 4.12Å; F8-F36 HydrophobicContact CE1-CZ 4.48Å; F8-F36 HydrophobicContact CE2-CE1 4.43Å; F8-F36 AromaticContact CE2-CZ 3.71Å; F8-F36 HydrophobicContact CE2-CZ 3.71Å; F8-F36 AromaticContact CZ-CE1 3.96Å; F8-F36 HydrophobicContact CZ-CE1 3.96Å; F8-F36 HydrophobicContact CZ-CE2 4.18Å; F8-F36 AromaticContact CZ-CZ 3.4Å; F8-F36 HydrophobicContact CZ-CZ 3.4Å; F8-F36 VanDerWaalsContact CZ-CZ 3.4Å; F8-C40 VanDerWaalsContact CE1-SG 3.52Å; F8-Y48 AromaticContact CE1-CD2 3.83Å; F8-Y48 HydrophobicContact CE1-CD2 3.83Å; F8-Y48 HydrophobicContact CE1-CG 4.2Å; F8-Y48 AromaticContact CZ-CD2 3.76Å; F8-Y48 HydrophobicContact CZ-CD2 3.76Å; F8-Y48 HydrophobicContact CZ-CE2 4.27Å; F8-Y48 HydrophobicContact CZ-CG 4.18Å; F8-F53 HydrophobicContact CD2-CZ 4.42Å; F8-F112 HydrophobicContact CD2-CZ 4.38Å; F8-F112 HydrophobicContact CE2-CE1 4.16Å; F8-F112 AromaticContact CE2-CE2 3.86Å; F8-F112 HydrophobicContact CE2-CE2 3.86Å; F8-F112 AromaticContact CE2-CZ 3.39Å; F8-F112 HydrophobicContact CE2-CZ 3.39Å; F8-F112 HydrophobicContact CZ-CE1 4.21Å; F8-F112 AromaticContact CZ-CZ 3.89Å; F8-F112 HydrophobicContact CZ-CZ 3.89Å; F8-I158 HydrophobicContact CB-CG2 4.2Å; F8-I158 HydrophobicContact CD1-CD1 4.16Å; F8-I158 HydrophobicContact CD1-CG2 3.67Å; F8-I158 HydrophobicContact CD2-CD1 4.13Å; F8-I158 HydrophobicContact CE1-CD1 4.04Å; F8-I158 HydrophobicContact CE1-CG2 4.26Å; F8-I158 HydrophobicContact CE2-CD1 4.02Å; F8-I158 HydrophobicContact CG-CD1 4.21Å; F8-I158 HydrophobicContact CG-CG1 4.35Å; F8-I158 HydrophobicContact CG-CG2 4.07Å; F8-I158 HydrophobicContact CZ-CD1 3.97Å; F8-C161 HydrophobicContact CD1-CB 3.47Å; F8-C161 VanDerWaalsContact CD1-CB 3.47Å; F8-C161 HydrophobicContact CE1-CB 3.82Å
9D98.9Very high95.8Very high39 Ų3961.5 Ų61.521%0.20936%0.357CS..EExtended strand (participates in β ladder)trans-91118.5164.2-70.5-36.7000109.1R19 I158 A159 D160D9-R19 WeakPolarHBondContact OD1-CB 3.4Å; D9-R19 IonicContact OD1-CZ 3.82Å; D9-R19 IonicContact OD1-NE 3.53Å; D9-R19 PolarHBondContact OD1-NE 2.77Å; D9-R19 IonicContact OD1-NH2 3.69Å; D9-R19 PolarHBondContact OD1-NH2 2.59Å; D9-R19 IonicContact OD2-CZ 3.14Å; D9-R19 IonicContact OD2-NE 2.99Å; D9-R19 IonicContact OD2-NH2 2.72Å; D9-R19 PolarHBondContact OD2-NH2 3.28Å; D9-I158 CarbonylContact O-C 3.58Å; D9-A159 PolarHBondContact O-N 3.38Å; D9-D160 HydrophobicContact CB-CB 4.18Å; D9-D160 PolarHBondContact N-O 3.06Å
10I98.8Very high95.9Very high3 Ų358.4 Ų58.42%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-102.4138.5-172.3-55.9-59.2000110.7F8 V17 G18 I20 F53 V138 M142 V157 I158F8-I10 HydrophobicContact CB-CD1 3.8Å; F8-I10 HydrophobicContact CB-CG1 4.43Å; I10-V17 HydrophobicContact CB-CB 4.21Å; I10-V17 HydrophobicContact CG2-CB 4.03Å; I10-V17 HydrophobicContact CG2-CG2 4.11Å; I10-V17 WeakPolarHBondContact O-CB 3.02Å; I10-V17 PolarHBondContact O-N 3.47Å; I10-G18 PolarHBondContact N-O 3.14Å; I10-I20 HydrophobicContact CD1-CD1 4.32Å; I10-I20 HydrophobicContact CG1-CD1 3.8Å; I10-I20 HydrophobicContact CG1-CG1 4.31Å; I10-F53 HydrophobicContact CD1-CD2 4.48Å; I10-F53 HydrophobicContact CD1-CE2 3.71Å; I10-V138 HydrophobicContact CB-CG1 4.16Å; I10-V138 HydrophobicContact CG1-CG1 4.14Å; I10-M142 HydrophobicContact CB-SD 4.38Å; I10-M142 HydrophobicContact CD1-SD 4.29Å; I10-M142 HydrophobicContact CG1-SD 3.87Å; I10-M142 HydrophobicContact CG2-CG 3.96Å; I10-M142 HydrophobicContact CG2-SD 3.84Å; I10-V157 WeakPolarHBondContact CA-O 3.47Å; I10-I158 HydrophobicContact CD1-CG1 4.05Å
11T98.8Very high96.1Very high21 Ų2155.9 Ų55.913%0.12933%0.325CS..EExtended strand (participates in β ladder)trans-121.2151.9167.458.70000111.1S15 L156 V157 A159T11-S15 CarbonylContact C-O 3.6Å; T11-S15 WeakPolarHBondContact CA-O 3.16Å; T11-S15 WeakPolarHBondContact CB-O 3.43Å; T11-L156 WeakPolarHBondContact O-CA 3.06Å; T11-V157 PolarHBondContact N-O 3.31Å; T11-V157 PolarHBondContact O-N 2.9Å; T11-V157 PolarHBondContact OG1-O 2.92Å; T11-A159 HydrophobicContact CG2-CB 3.67Å
12A98.6Very high97.8Very high7 Ų744.2 Ų44.26%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-122.5117.1170.500000108.1G14 S15 V17 Y145 A154 K155 L156A12-G14 PolarHBondContact O-N 2.97Å; A12-G14 VanDerWaalsContact O-N 3.17Å; A12-S15 PolarHBondContact N-O 3.23Å; A12-S15 PolarHBondContact O-N 2.8Å; A12-V17 HydrophobicContact CB-CG2 3.55Å; A12-Y145 HydrophobicContact CB-CE2 4.01Å; A12-A154 HydrophobicContact CB-CB 4.32Å; A12-K155 WeakPolarHBondContact CA-O 3.45Å; A12-L156 HydrophobicContact CB-CD2 3.78Å
13N98.1Very high98.4Very high114 Ų11441.3 Ų41.361%0.6124%0.236SC*.THydrogen-bonded Turntrans51.635.8-173.2-61.6-23.6000112.9S15 K155N13-S15 VanDerWaalsContact C-N 3.27Å; N13-S15 PolarHBondContact O-N 2.65Å; N13-K155 PolarHBondContact N-O 3.38Å; N13-K155 PolarHBondContact OD1-N 3.25Å
14G97.6Very high98.6Very high61 Ų6137.9 Ų37.963%0.62922%0.222SC*.THydrogen-bonded Turntrans82.2-10.3-178.700000115.3A12A12-G14 PolarHBondContact O-N 2.97Å; A12-G14 VanDerWaalsContact O-N 3.17Å
15S98.3Very high98.6Very high79 Ų7939.5 Ų39.555%0.55222%0.224SC*.EExtended strand (participates in β ladder)trans-84.3133.9174.3-65.20000111.1T11 A12 N13 V17T11-S15 CarbonylContact C-O 3.6Å; T11-S15 WeakPolarHBondContact CA-O 3.16Å; T11-S15 WeakPolarHBondContact CB-O 3.43Å; A12-S15 PolarHBondContact N-O 3.23Å; A12-S15 PolarHBondContact O-N 2.8Å; N13-S15 VanDerWaalsContact C-N 3.27Å; N13-S15 PolarHBondContact O-N 2.65Å; S15-V17 PolarHBondContact O-N 3.37Å
16P98.4Very high98.6Very high114 Ų11436.1 Ų36.174%0.7422%0.219SC*.EExtended strand (participates in β ladder)trans-57.1132.5176.5-25.634.7000112.7
17V98.3Very high98.6Very high21 Ų2140.5 Ų40.513%0.12724%0.242CC..EExtended strand (participates in β ladder)trans-101.3-44.1175-176.40000110.1I10 A12 S15 V138 K141I10-V17 HydrophobicContact CB-CB 4.21Å; I10-V17 HydrophobicContact CG2-CB 4.03Å; I10-V17 HydrophobicContact CG2-CG2 4.11Å; I10-V17 WeakPolarHBondContact O-CB 3.02Å; I10-V17 PolarHBondContact O-N 3.47Å; A12-V17 HydrophobicContact CB-CG2 3.55Å; S15-V17 PolarHBondContact O-N 3.37Å; V17-V138 HydrophobicContact CB-CG1 4.42Å; V17-V138 HydrophobicContact CG1-CG1 3.87Å; V17-K141 HydrophobicContact CG1-CB 4.07Å; V17-K141 HydrophobicContact CG1-CD 3.62Å; V17-K141 HydrophobicContact CG1-CG 3.82Å
18G98.6Very high98.6Very high28 Ų2841.1 Ų41.129%0.28925%0.248SC..EExtended strand (participates in β ladder)trans149.6-174.4179.400000112.2I10I10-G18 PolarHBondContact N-O 3.14Å
19R98.8Very high98.5Very high112 Ų11241.1 Ų41.142%0.42325%0.248SC..EExtended strand (participates in β ladder)trans-105.8139.6179.2-179.8169.2-73.1-170.3-5.3111.3F7 F8 D9 V21 G135F7-R19 HydrophobicContact CB-CG 4.11Å; F7-R19 HydrophobicContact CD2-CG 4.48Å; F8-R19 CarbonylContact O-C 3.51Å; F8-R19 VanDerWaalsContact O-CA 3.3Å; F8-R19 WeakPolarHBondContact O-CA 3.46Å; D9-R19 WeakPolarHBondContact OD1-CB 3.4Å; D9-R19 IonicContact OD1-CZ 3.82Å; D9-R19 IonicContact OD1-NE 3.53Å; D9-R19 PolarHBondContact OD1-NE 2.77Å; D9-R19 IonicContact OD1-NH2 3.69Å; D9-R19 PolarHBondContact OD1-NH2 2.59Å; D9-R19 IonicContact OD2-CZ 3.14Å; D9-R19 IonicContact OD2-NE 2.99Å; D9-R19 IonicContact OD2-NH2 2.72Å; D9-R19 PolarHBondContact OD2-NH2 3.28Å; R19-V21 HydrophobicContact CG-CG2 4.27Å; R19-G135 WeakPolarHBondContact O-CA 3.37Å
20I98.9Very high98.5Very high0 Ų042.6 Ų42.60%026%0.26CS..EExtended strand (participates in β ladder)trans-110.4129.7169-57.1167.1000107.5F7 F8 I10 M22 I114 V132 V138 V139 M142F7-I20 CarbonylContact C-O 3.57Å; F7-I20 WeakPolarHBondContact CA-O 3.19Å; F8-I20 PolarHBondContact N-O 3.15Å; F8-I20 PolarHBondContact O-N 2.85Å; I10-I20 HydrophobicContact CD1-CD1 4.32Å; I10-I20 HydrophobicContact CG1-CD1 3.8Å; I10-I20 HydrophobicContact CG1-CG1 4.31Å; I20-M22 HydrophobicContact CG2-CE 4.37Å; I20-M22 HydrophobicContact CG2-CG 4.06Å; I20-M22 HydrophobicContact CG2-SD 4.39Å; I20-I114 HydrophobicContact CD1-CD1 4.35Å; I20-V132 HydrophobicContact CG2-CB 4.49Å; I20-V132 HydrophobicContact CG2-CG1 3.86Å; I20-V132 HydrophobicContact CG2-CG2 3.89Å; I20-V138 HydrophobicContact CD1-CG1 4.11Å; I20-V138 HydrophobicContact CG1-CB 3.9Å; I20-V138 HydrophobicContact CG1-CG1 3.78Å; I20-V139 HydrophobicContact CD1-CG2 3.68Å; I20-V139 HydrophobicContact CG1-CG2 4.06Å; I20-V139 HydrophobicContact CG2-CG2 4.28Å; I20-M142 HydrophobicContact CD1-SD 3.68Å
21V98.9Very high98.5Very high5 Ų547 Ų473%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-110.5131.8171.4-174.60000108.9R5 V6 F7 R19 V132 V133 E134 L164R5-V21 HydrophobicContact CB-CG1 4.48Å; V6-V21 WeakPolarHBondContact O-CA 3.42Å; F7-V21 HydrophobicContact CB-CG2 4.48Å; R19-V21 HydrophobicContact CG-CG2 4.27Å; V21-V132 CarbonylContact O-C 3.53Å; V21-V132 WeakPolarHBondContact O-CA 3.31Å; V21-V133 HydrophobicContact CB-CG2 3.98Å; V21-V133 HydrophobicContact CG1-CG2 3.63Å; V21-V133 WeakPolarHBondContact O-CG2 3.27Å; V21-V133 PolarHBondContact O-N 3.45Å; V21-E134 HydrophobicContact CB-CB 3.91Å; V21-E134 HydrophobicContact CB-CG 4.39Å; V21-E134 HydrophobicContact CG2-CB 4Å; V21-E134 PolarHBondContact N-O 3.44Å; V21-E134 PolarHBondContact O-N 2.85Å; V21-L164 HydrophobicContact CB-CD1 4.45Å; V21-L164 HydrophobicContact CG1-CD1 3.49Å; V21-L164 VanDerWaalsContact CG1-CD1 3.49Å; V21-L164 HydrophobicContact CG2-CD1 4.08Å
22M98.9Very high98.5Very high0 Ų046 Ų460%027%0.272CS..EExtended strand (participates in β ladder)trans-123.6137.5-178.6-63.6152.7-75.300110.1R5 V6 F8 I20 F36 L98 S131 V132R5-M22 CarbonylContact C-O 3.53Å; R5-M22 VanDerWaalsContact CA-O 3.29Å; R5-M22 WeakPolarHBondContact CA-O 3.42Å; V6-M22 HydrophobicContact CG2-CB 4.14Å; V6-M22 HydrophobicContact CG2-CE 4.13Å; V6-M22 PolarHBondContact N-O 3.29Å; V6-M22 PolarHBondContact O-N 3.26Å; F8-M22 HydrophobicContact CB-CE 4.4Å; F8-M22 HydrophobicContact CD1-CE 4.22Å; F8-M22 HydrophobicContact CD2-CE 3.41Å; F8-M22 VanDerWaalsContact CD2-CE 3.41Å; F8-M22 HydrophobicContact CD2-SD 4.14Å; F8-M22 HydrophobicContact CE1-CE 4.4Å; F8-M22 HydrophobicContact CE2-CE 3.6Å; F8-M22 HydrophobicContact CE2-SD 4Å; F8-M22 HydrophobicContact CG-CE 3.74Å; F8-M22 HydrophobicContact CZ-CE 4.12Å; I20-M22 HydrophobicContact CG2-CE 4.37Å; I20-M22 HydrophobicContact CG2-CG 4.06Å; I20-M22 HydrophobicContact CG2-SD 4.39Å; M22-F36 HydrophobicContact CE-CE1 4.31Å; M22-F36 HydrophobicContact SD-CE1 4.11Å; M22-F36 HydrophobicContact SD-CZ 4.08Å; M22-L98 HydrophobicContact CB-CD2 4.29Å; M22-L98 HydrophobicContact CG-CD2 4.33Å; M22-L98 HydrophobicContact SD-CD1 4.26Å; M22-L98 HydrophobicContact SD-CD2 3.95Å; M22-S131 CarbonylContact C-O 3.28Å; M22-S131 WeakPolarHBondContact CA-O 3.5Å; M22-V132 HydrophobicContact CG-CG2 4.12Å
23E98.8Very high98.5Very high38 Ų3845.7 Ų45.718%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-100.2129170.3-173.8174.2101.300109.6K3 R5 G130 S131 V133K3-E23 HydrophobicContact CB-CG 3.62Å; K3-E23 HydrophobicContact CD-CG 4.02Å; K3-E23 WeakPolarHBondContact CD-OE1 3.5Å; K3-E23 HydrophobicContact CG-CG 4.49Å; K3-E23 IonicContact NZ-OE1 3.2Å; R5-E23 HydrophobicContact CG-CB 4.27Å; R5-E23 HydrophobicContact CG-CG 4.31Å; R5-E23 IonicContact CZ-OE2 3.25Å; R5-E23 IonicContact NE-OE2 3.41Å; R5-E23 PolarHBondContact NE-OE2 3.19Å; R5-E23 VanDerWaalsContact NE-OE2 3.14Å; R5-E23 IonicContact NH2-OE2 2.75Å; R5-E23 PolarHBondContact NH2-OE2 3.09Å; E23-G130 WeakPolarHBondContact O-CA 3.48Å; E23-S131 PolarHBondContact N-O 2.87Å; E23-S131 PolarHBondContact O-N 3.27Å; E23-S131 VanDerWaalsContact O-N 3.07Å; E23-V133 HydrophobicContact CB-CG1 3.6Å; E23-V133 HydrophobicContact CB-CG2 4.5Å
24L98.8Very high98.5Very high0 Ų043.5 Ų43.50%026%0.256CS..EExtended strand (participates in β ladder)trans-98133.7-175.3-51.2-177.4000110.9K3 P4 V6 A26 A33 F36 R37 L98 F129K3-L24 WeakPolarHBondContact CB-O 3.33Å; P4-L24 HydrophobicContact CB-CB 4.47Å; P4-L24 HydrophobicContact CB-CD1 4.38Å; P4-L24 PolarHBondContact O-N 3.43Å; V6-L24 HydrophobicContact CG1-CD1 4.09Å; V6-L24 HydrophobicContact CG2-CD1 4.13Å; V6-L24 HydrophobicContact CG2-CD2 4.06Å; V6-L24 HydrophobicContact CG2-CG 4.17Å; L24-A26 PolarHBondContact O-N 2.8Å; L24-A33 HydrophobicContact CB-CB 3.95Å; L24-A33 WeakPolarHBondContact CD1-O 3.47Å; L24-F36 HydrophobicContact CD1-CB 4.44Å; L24-F36 HydrophobicContact CD1-CD1 4.08Å; L24-F36 HydrophobicContact CD2-CD1 3.76Å; L24-F36 HydrophobicContact CD2-CE1 4.23Å; L24-R37 HydrophobicContact CD1-CB 3.83Å; L24-L98 HydrophobicContact CD2-CD2 3.93Å; L24-F129 HydrophobicContact CD2-CD2 4.18Å; L24-F129 HydrophobicContact CD2-CE2 4.14Å
25R98.6Very high98.6Very high61 Ų6140.6 Ų40.623%0.2323%0.226CC..  trans-82.256.4-178.8-64.9-59.9-54.5-83.13.1112.2D27 V28 V29 L90 F129R25-D27 VanDerWaalsContact C-OD1 3.23Å; R25-D27 WeakPolarHBondContact CA-OD1 3.4Å; R25-D27 IonicContact CZ-OD1 2.79Å; R25-D27 IonicContact CZ-OD2 3.98Å; R25-D27 IonicContact NE-OD1 3.52Å; R25-D27 PolarHBondContact NE-OD1 2.97Å; R25-D27 IonicContact NE-OD2 2.72Å; R25-D27 PolarHBondContact NE-OD2 3.48Å; R25-D27 IonicContact NH2-OD1 3.9Å; R25-D27 IonicContact NH2-OD2 3.74Å; R25-D27 PolarHBondContact NH2-OD2 2.79Å; R25-D27 PolarHBondContact O-N 3.4Å; R25-D27 VanDerWaalsContact O-N 3.13Å; R25-V28 HydrophobicContact CB-CB 4.44Å; R25-V28 PolarHBondContact O-N 2.88Å; R25-V29 HydrophobicContact CB-CG2 4.34Å; R25-V29 WeakPolarHBondContact O-CG2 3.45Å; R25-V29 PolarHBondContact O-N 2.86Å; R25-L90 HydrophobicContact CB-CD1 3.71Å; R25-L90 HydrophobicContact CG-CD1 3.66Å; R25-L90 VanDerWaalsContact NH1-CD2 3.34Å; R25-F129 PolarHBondContact N-O 3.13Å
26A98.3Very high98.6Very high34 Ų3436.8 Ų36.828%0.28120%0.2SC..THydrogen-bonded Turntrans-61.9-17175.700000113.2P4 L24 V28 P30 A33P4-A26 HydrophobicContact CG-CB 4.19Å; L24-A26 PolarHBondContact O-N 2.8Å; A26-V28 VanDerWaalsContact C-N 3.31Å; A26-P30 WeakPolarHBondContact O-CA 3.26Å; A26-P30 WeakPolarHBondContact O-CB 3.4Å; A26-A33 HydrophobicContact CB-CB 3.83Å
27D98.2Very high98.7Very high91 Ų9132.7 Ų32.749%0.48717%0.169SC..THydrogen-bonded Turntrans-72.2-19170.959.9-45.3000113.9K3 R25K3-D27 VanDerWaalsContact CE-CG 3.47Å; K3-D27 VanDerWaalsContact CE-OD1 3.26Å; K3-D27 WeakPolarHBondContact CE-OD1 3.5Å; K3-D27 VanDerWaalsContact CE-OD2 3.31Å; K3-D27 WeakPolarHBondContact CE-OD2 3.33Å; K3-D27 IonicContact NZ-OD2 3.6Å; R25-D27 VanDerWaalsContact C-OD1 3.23Å; R25-D27 WeakPolarHBondContact CA-OD1 3.4Å; R25-D27 IonicContact CZ-OD1 2.79Å; R25-D27 IonicContact CZ-OD2 3.98Å; R25-D27 IonicContact NE-OD1 3.52Å; R25-D27 PolarHBondContact NE-OD1 2.97Å; R25-D27 IonicContact NE-OD2 2.72Å; R25-D27 PolarHBondContact NE-OD2 3.48Å; R25-D27 IonicContact NH2-OD1 3.9Å; R25-D27 IonicContact NH2-OD2 3.74Å; R25-D27 PolarHBondContact NH2-OD2 2.79Å; R25-D27 PolarHBondContact O-N 3.4Å; R25-D27 VanDerWaalsContact O-N 3.13Å
28V98.3Very high98.7Very high35 Ų3531.7 Ų31.721%0.21216%0.163CC..THydrogen-bonded Turntrans-119.1-40.1-177.6-174.50000112.2R25 A26 P30 N87 L90R25-V28 HydrophobicContact CB-CB 4.44Å; R25-V28 PolarHBondContact O-N 2.88Å; A26-V28 VanDerWaalsContact C-N 3.31Å; V28-P30 VanDerWaalsContact C-CD 3.5Å; V28-N87 PolarHBondContact O-ND2 3.24Å; V28-L90 HydrophobicContact CB-CD1 4.21Å; V28-L90 HydrophobicContact CG1-CD1 4.24Å; V28-L90 HydrophobicContact CG1-CG 4.07Å; V28-L90 HydrophobicContact CG2-CD1 4.44Å
29V98.6Very high98.7Very high0 Ų030.3 Ų30.30%015%0.149CC..  trans-131.564.6-178.2-72.20000110.2R25 K31 T32 A33 E86 N87 V127 F129R25-V29 HydrophobicContact CB-CG2 4.34Å; R25-V29 WeakPolarHBondContact O-CG2 3.45Å; R25-V29 PolarHBondContact O-N 2.86Å; V29-K31 VanDerWaalsContact C-N 3.29Å; V29-K31 PolarHBondContact O-N 3.27Å; V29-T32 PolarHBondContact O-N 3.35Å; V29-A33 VanDerWaalsContact O-CB 3.28Å; V29-A33 WeakPolarHBondContact O-CB 3.13Å; V29-A33 PolarHBondContact O-N 3.44Å; V29-E86 VanDerWaalsContact C-CD 3.46Å; V29-E86 VanDerWaalsContact CA-CD 3.43Å; V29-E86 VanDerWaalsContact CA-OE2 3.23Å; V29-E86 WeakPolarHBondContact CA-OE2 3.46Å; V29-E86 HydrophobicContact CB-CG 4.39Å; V29-E86 VanDerWaalsContact CB-OE2 3.29Å; V29-E86 WeakPolarHBondContact CB-OE2 3.41Å; V29-E86 HydrophobicContact CG1-CB 4.2Å; V29-E86 HydrophobicContact CG1-CG 4.25Å; V29-N87 WeakPolarHBondContact CG1-ND2 3.49Å; V29-V127 HydrophobicContact CB-CG1 4.48Å; V29-V127 HydrophobicContact CG1-CG1 3.88Å; V29-F129 HydrophobicContact CG2-CB 3.55Å
30P98.4Very high98.7Very high71 Ų7125 Ų2546%0.46113%0.13SC..Hα-helixtrans-55.2-40.1-174.720.1-32.4000113.6A26 V28 E34 E86A26-P30 WeakPolarHBondContact O-CA 3.26Å; A26-P30 WeakPolarHBondContact O-CB 3.4Å; V28-P30 VanDerWaalsContact C-CD 3.5Å; P30-E34 WeakPolarHBondContact O-CB 3.29Å; P30-E34 PolarHBondContact O-N 3.33Å; P30-E86 WeakPolarHBondContact CD-OE1 3.12Å; P30-E86 WeakPolarHBondContact CG-OE1 3.32Å
31K98.6Very high98.7Very high94 Ų9427.4 Ų27.441%0.40914%0.144SC..Hα-helixtrans-69.8-41.6-178.3-170.5175.7-178.3174.60111.6V29 N35 Y79 E86V29-K31 VanDerWaalsContact C-N 3.29Å; V29-K31 PolarHBondContact O-N 3.27Å; K31-N35 PolarHBondContact O-N 3Å; K31-N35 VanDerWaalsContact O-N 3.1Å; K31-Y79 HydrophobicContact CD-CE2 4.21Å; K31-Y79 HydrophobicContact CG-CD2 4.24Å; K31-Y79 HydrophobicContact CG-CE1 4.34Å; K31-Y79 HydrophobicContact CG-CE2 3.42Å; K31-Y79 VanDerWaalsContact CG-CE2 3.42Å; K31-Y79 VanDerWaalsContact CG-CZ 3.49Å; K31-Y79 WeakPolarHBondContact CG-OH 3.28Å; K31-Y79 WeakPolarHBondContact O-CE2 3.48Å; K31-Y79 PolarHBondContact O-OH 3.41Å; K31-E86 VanDerWaalsContact CB-OE1 3.31Å; K31-E86 WeakPolarHBondContact CB-OE1 3.45Å; K31-E86 WeakPolarHBondContact CB-OE2 3.45Å; K31-E86 PolarHBondContact N-OE1 2.87Å; K31-E86 PolarHBondContact N-OE2 3.2Å
32T98.8Very high98.7Very high0 Ų028.5 Ų28.50%016%0.156CC..Hα-helixtrans-68.7-44.6178.5-500000110.9V29 N35 F36 F83 E86 M100 V127 F129V29-T32 PolarHBondContact O-N 3.35Å; T32-N35 PolarHBondContact O-N 3.07Å; T32-F36 PolarHBondContact O-N 3.13Å; T32-F83 HydrophobicContact CG2-CE2 4.39Å; T32-F83 HydrophobicContact CG2-CZ 4.22Å; T32-E86 WeakPolarHBondContact CB-OE2 3.24Å; T32-E86 PolarHBondContact N-OE2 2.98Å; T32-E86 PolarHBondContact OG1-OE2 3.01Å; T32-M100 HydrophobicContact CG2-CG 3.65Å; T32-M100 HydrophobicContact CG2-SD 4.03Å; T32-V127 HydrophobicContact CG2-CG1 4.17Å; T32-F129 HydrophobicContact CG2-CB 3.61Å; T32-F129 HydrophobicContact CG2-CD1 3.89Å; T32-F129 HydrophobicContact CG2-CD2 4.48Å; T32-F129 HydrophobicContact CG2-CG 3.76Å
33A98.8Very high98.7Very high1 Ų133.1 Ų33.11%0.00818%0.178CC..Hα-helixtrans-61.7-45.4175.900000111.9L24 A26 V29 N35 F36 R37L24-A33 HydrophobicContact CB-CB 3.95Å; L24-A33 WeakPolarHBondContact CD1-O 3.47Å; A26-A33 HydrophobicContact CB-CB 3.83Å; V29-A33 VanDerWaalsContact O-CB 3.28Å; V29-A33 WeakPolarHBondContact O-CB 3.13Å; V29-A33 PolarHBondContact O-N 3.44Å; A33-N35 VanDerWaalsContact C-N 3.34Å; A33-N35 PolarHBondContact O-N 3.05Å; A33-F36 PolarHBondContact O-N 3Å; A33-R37 WeakPolarHBondContact O-CB 3.43Å; A33-R37 PolarHBondContact O-N 3.07Å
34E98.8Very high98.6Very high68 Ų6836.4 Ų36.432%0.31819%0.192SC..Hα-helixtrans-64-38.7179175.853.5-157.100112.3P30 F36 R37 A38 I78P30-E34 WeakPolarHBondContact O-CB 3.29Å; P30-E34 PolarHBondContact O-N 3.33Å; E34-F36 PolarHBondContact O-N 3.16Å; E34-R37 PolarHBondContact O-N 3.4Å; E34-R37 IonicContact OE1-CZ 2.78Å; E34-R37 IonicContact OE1-NE 2.74Å; E34-R37 IonicContact OE1-NH2 3.63Å; E34-R37 PolarHBondContact OE1-NH2 3.14Å; E34-R37 IonicContact OE2-CZ 2.77Å; E34-R37 IonicContact OE2-NE 3.91Å; E34-R37 PolarHBondContact OE2-NE 3.15Å; E34-R37 IonicContact OE2-NH2 3.59Å; E34-A38 WeakPolarHBondContact O-CB 3.2Å; E34-A38 PolarHBondContact O-N 3.46Å; E34-I78 HydrophobicContact CG-CD1 4.07Å
35N98.9Very high98.6Very high0 Ų040.1 Ų40.10%023%0.23CC..Hα-helixtrans-57.7-51.2173.7175.565.4000111.6K31 T32 A33 L39 S77 I78 Y79 F83 G109K31-N35 PolarHBondContact O-N 3Å; K31-N35 VanDerWaalsContact O-N 3.1Å; T32-N35 PolarHBondContact O-N 3.07Å; A33-N35 VanDerWaalsContact C-N 3.34Å; A33-N35 PolarHBondContact O-N 3.05Å; N35-L39 WeakPolarHBondContact O-CB 3.38Å; N35-L39 WeakPolarHBondContact O-CG 3.48Å; N35-L39 PolarHBondContact O-N 3.22Å; N35-L39 VanDerWaalsContact O-N 3.09Å; N35-S77 WeakPolarHBondContact OD1-CA 3.26Å; N35-S77 WeakPolarHBondContact OD1-CB 3.4Å; N35-I78 HydrophobicContact CB-CG1 4.32Å; N35-I78 PolarHBondContact OD1-N 3.32Å; N35-Y79 HydrophobicContact CB-CE2 3.82Å; N35-F83 HydrophobicContact CB-CE1 4.45Å; N35-F83 HydrophobicContact CB-CZ 4.43Å; N35-G109 PolarHBondContact ND2-O 2.93Å
36F98.9Very high98.6Very high0 Ų039.8 Ų39.80%023%0.23CC..Hα-helixtrans-64.6-43-179.3-167.6-93.7000111.8V6 F8 M22 L24 T32 A33 E34 L39 C40 Y48 L98 F112 F129V6-F36 HydrophobicContact CG2-CD1 3.98Å; V6-F36 HydrophobicContact CG2-CE1 3.74Å; F8-F36 HydrophobicContact CE1-CZ 4.48Å; F8-F36 HydrophobicContact CE2-CE1 4.43Å; F8-F36 AromaticContact CE2-CZ 3.71Å; F8-F36 HydrophobicContact CE2-CZ 3.71Å; F8-F36 AromaticContact CZ-CE1 3.96Å; F8-F36 HydrophobicContact CZ-CE1 3.96Å; F8-F36 HydrophobicContact CZ-CE2 4.18Å; F8-F36 AromaticContact CZ-CZ 3.4Å; F8-F36 HydrophobicContact CZ-CZ 3.4Å; F8-F36 VanDerWaalsContact CZ-CZ 3.4Å; M22-F36 HydrophobicContact CE-CE1 4.31Å; M22-F36 HydrophobicContact SD-CE1 4.11Å; M22-F36 HydrophobicContact SD-CZ 4.08Å; L24-F36 HydrophobicContact CD1-CB 4.44Å; L24-F36 HydrophobicContact CD1-CD1 4.08Å; L24-F36 HydrophobicContact CD2-CD1 3.76Å; L24-F36 HydrophobicContact CD2-CE1 4.23Å; T32-F36 PolarHBondContact O-N 3.13Å; A33-F36 PolarHBondContact O-N 3Å; E34-F36 PolarHBondContact O-N 3.16Å; F36-L39 PolarHBondContact O-N 2.7Å; F36-C40 VanDerWaalsContact CE1-SG 3.51Å; F36-C40 PolarHBondContact O-N 2.77Å; F36-C40 PolarHBondContact O-SG 3.45Å; F36-Y48 HydrophobicContact CD1-CE2 4.49Å; F36-Y48 AromaticContact CD2-CE2 3.6Å; F36-Y48 HydrophobicContact CD2-CE2 3.6Å; F36-Y48 AromaticContact CD2-CZ 3.77Å; F36-Y48 WeakPolarHBondContact CD2-OH 3.42Å; F36-Y48 AromaticContact CE2-CE2 3.63Å; F36-Y48 HydrophobicContact CE2-CE2 3.63Å; F36-Y48 AromaticContact CE2-CZ 3.83Å; F36-Y48 HydrophobicContact CG-CE2 4.08Å; F36-Y48 HydrophobicContact CZ-CE2 4.12Å; F36-L98 HydrophobicContact CD1-CD2 4.38Å; F36-L98 HydrophobicContact CE1-CD2 3.92Å; F36-L98 HydrophobicContact CE2-CD1 4.41Å; F36-L98 HydrophobicContact CE2-CD2 4.37Å; F36-L98 HydrophobicContact CZ-CD1 4.23Å; F36-L98 HydrophobicContact CZ-CD2 3.91Å; F36-F112 HydrophobicContact CD2-CD1 4.44Å; F36-F112 HydrophobicContact CE2-CB 4.12Å; F36-F112 AromaticContact CE2-CD1 3.59Å; F36-F112 HydrophobicContact CE2-CD1 3.59Å; F36-F112 HydrophobicContact CE2-CD2 4.07Å; F36-F112 AromaticContact CE2-CE1 3.93Å; F36-F112 HydrophobicContact CE2-CE1 3.93Å; F36-F112 HydrophobicContact CE2-CE2 4.39Å; F36-F112 AromaticContact CE2-CG 3.65Å; F36-F112 HydrophobicContact CE2-CG 3.65Å; F36-F112 HydrophobicContact CE2-CZ 4.34Å; F36-F112 HydrophobicContact CZ-CD1 4.45Å; F36-F112 HydrophobicContact CZ-CD2 4.45Å; F36-F112 HydrophobicContact CZ-CE1 4.44Å; F36-F112 HydrophobicContact CZ-CE2 4.46Å; F36-F112 HydrophobicContact CZ-CG 4.45Å; F36-F112 HydrophobicContact CZ-CZ 4.46Å; F36-F129 HydrophobicContact CB-CD2 4.28Å; F36-F129 HydrophobicContact CB-CE2 3.59Å; F36-F129 HydrophobicContact CB-CZ 4.22Å; F36-F129 AromaticContact CD1-CE2 3.92Å; F36-F129 HydrophobicContact CD1-CE2 3.92Å; F36-F129 AromaticContact CD2-CE2 3.5Å; F36-F129 HydrophobicContact CD2-CE2 3.5Å; F36-F129 VanDerWaalsContact CD2-CE2 3.5Å; F36-F129 AromaticContact CD2-CZ 3.4Å; F36-F129 HydrophobicContact CD2-CZ 3.4Å; F36-F129 VanDerWaalsContact CD2-CZ 3.4Å; F36-F129 HydrophobicContact CE1-CE2 4.44Å; F36-F129 HydrophobicContact CE2-CE2 4.07Å; F36-F129 AromaticContact CE2-CZ 3.79Å; F36-F129 HydrophobicContact CE2-CZ 3.79Å; F36-F129 HydrophobicContact CG-CD2 4.46Å; F36-F129 AromaticContact CG-CE2 3.39Å; F36-F129 HydrophobicContact CG-CE2 3.39Å; F36-F129 AromaticContact CG-CZ 3.84Å; F36-F129 HydrophobicContact CG-CZ 3.84Å; F36-F129 HydrophobicContact CZ-CE2 4.49Å
37R98.8Very high98.6Very high27 Ų2738.8 Ų38.810%0.10222%0.224CC..Hα-helixtrans-57.6-51.9177.7-171.9-152.666.569.96.1111.9P4 V6 L24 A33 E34 L39 C40 T41 E43 Q163P4-R37 HydrophobicContact CB-CG 4.42Å; V6-R37 HydrophobicContact CG1-CB 4.44Å; V6-R37 HydrophobicContact CG1-CG 4.08Å; L24-R37 HydrophobicContact CD1-CB 3.83Å; A33-R37 WeakPolarHBondContact O-CB 3.43Å; A33-R37 PolarHBondContact O-N 3.07Å; E34-R37 PolarHBondContact O-N 3.4Å; E34-R37 IonicContact OE1-CZ 2.78Å; E34-R37 IonicContact OE1-NE 2.74Å; E34-R37 IonicContact OE1-NH2 3.63Å; E34-R37 PolarHBondContact OE1-NH2 3.14Å; E34-R37 IonicContact OE2-CZ 2.77Å; E34-R37 IonicContact OE2-NE 3.91Å; E34-R37 PolarHBondContact OE2-NE 3.15Å; E34-R37 IonicContact OE2-NH2 3.59Å; R37-L39 VanDerWaalsContact C-N 3.28Å; R37-L39 PolarHBondContact O-N 3.14Å; R37-C40 WeakPolarHBondContact O-CB 3.4Å; R37-C40 PolarHBondContact O-N 3.19Å; R37-C40 VanDerWaalsContact O-N 3.09Å; R37-T41 PolarHBondContact O-N 2.99Å; R37-E43 IonicContact CZ-OE1 3.52Å; R37-E43 IonicContact CZ-OE2 2.75Å; R37-E43 VanDerWaalsContact CZ-OE2 3.27Å; R37-E43 IonicContact NH1-OE2 3.56Å; R37-E43 PolarHBondContact NH1-OE2 3.39Å; R37-E43 IonicContact NH2-OE1 3.41Å; R37-E43 PolarHBondContact NH2-OE1 2.81Å; R37-E43 IonicContact NH2-OE2 2.84Å; R37-E43 PolarHBondContact NH2-OE2 2.84Å; R37-Q163 VanDerWaalsContact CD-OE1 3.31Å
38A98.8Very high98.6Very high0 Ų034.5 Ų34.50%020%0.2CC..Hα-helixtrans-65.4-31-179.600000112.6E34 T41 G42 E43 K44 I78E34-A38 WeakPolarHBondContact O-CB 3.2Å; E34-A38 PolarHBondContact O-N 3.46Å; A38-T41 WeakPolarHBondContact CA-OG1 3.19Å; A38-T41 PolarHBondContact O-OG1 2.72Å; A38-T41 VanDerWaalsContact O-OG1 3.09Å; A38-G42 PolarHBondContact O-N 2.95Å; A38-E43 HydrophobicContact CB-CG 4.15Å; A38-K44 HydrophobicContact CB-CG 4.48Å; A38-I78 HydrophobicContact CB-CD1 4.01Å; A38-I78 HydrophobicContact CB-CG2 3.82Å
39L98.9Very high98.7Very high0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-72.9-29.8172.7-70.2172000112.6N35 F36 R37 F46 G47 Y48 F67 I78N35-L39 WeakPolarHBondContact O-CB 3.38Å; N35-L39 WeakPolarHBondContact O-CG 3.48Å; N35-L39 PolarHBondContact O-N 3.22Å; N35-L39 VanDerWaalsContact O-N 3.09Å; F36-L39 PolarHBondContact O-N 2.7Å; R37-L39 VanDerWaalsContact C-N 3.28Å; R37-L39 PolarHBondContact O-N 3.14Å; L39-F46 HydrophobicContact CD2-CD2 3.68Å; L39-F46 HydrophobicContact CD2-CE2 3.67Å; L39-G47 CarbonylContact O-C 3.51Å; L39-G47 WeakPolarHBondContact O-CA 3.36Å; L39-Y48 HydrophobicContact CB-CD2 3.66Å; L39-Y48 HydrophobicContact CB-CE1 4.26Å; L39-Y48 HydrophobicContact CB-CE2 3.3Å; L39-Y48 HydrophobicContact CB-CG 4.29Å; L39-Y48 HydrophobicContact CD1-CE1 4.16Å; L39-Y48 HydrophobicContact CD1-CE2 4.17Å; L39-Y48 WeakPolarHBondContact CD1-OH 3.45Å; L39-Y48 HydrophobicContact CG-CE2 4.39Å; L39-Y48 PolarHBondContact O-N 2.83Å; L39-F67 HydrophobicContact CD1-CE1 4.43Å; L39-F67 HydrophobicContact CD2-CE1 3.74Å; L39-F67 HydrophobicContact CD2-CZ 4.05Å; L39-I78 HydrophobicContact CD2-CG2 4.3Å; L39-I78 HydrophobicContact CG-CG2 4.2Å
40C98.9Very high98.7Very high1 Ų141.5 Ų41.51%0.00724%0.242CC..Hα-helixtrans-68-43.7169.5-69.20000111.5V6 F8 F36 R37 C161 G162V6-C40 HydrophobicContact CB-CB 4.07Å; V6-C40 HydrophobicContact CG1-CB 4.06Å; F8-C40 VanDerWaalsContact CE1-SG 3.52Å; F36-C40 VanDerWaalsContact CE1-SG 3.51Å; F36-C40 PolarHBondContact O-N 2.77Å; F36-C40 PolarHBondContact O-SG 3.45Å; R37-C40 WeakPolarHBondContact O-CB 3.4Å; R37-C40 PolarHBondContact O-N 3.19Å; R37-C40 VanDerWaalsContact O-N 3.09Å; C40-C161 CarbonylContact O-C 3.38Å; C40-C161 VanDerWaalsContact O-C 3.28Å; C40-C161 PolarHBondContact O-SG 2.89Å; C40-G162 PolarHBondContact O-N 2.72Å
41T98.8Very high98.7Very high49 Ų4938.2 Ų38.230%0.30122%0.22SC..Hα-helixtrans-75.5-25.6180620000113R37 A38 E43 Q163R37-T41 PolarHBondContact O-N 2.99Å; A38-T41 WeakPolarHBondContact CA-OG1 3.19Å; A38-T41 PolarHBondContact O-OG1 2.72Å; A38-T41 VanDerWaalsContact O-OG1 3.09Å; T41-E43 PolarHBondContact O-N 2.85Å; T41-E43 WeakPolarHBondContact OG1-CB 3.49Å; T41-E43 WeakPolarHBondContact OG1-CG 3.5Å; T41-E43 PolarHBondContact OG1-N 3.07Å; T41-E43 PolarHBondContact OG1-OE2 2.86Å; T41-Q163 HydrophobicContact CG2-CB 3.79Å
42G98.6Very high98.7Very high28 Ų2834.5 Ų34.529%0.28921%0.207SC..THydrogen-bonded Turntrans7112.7-174.700000113.6A38 K44 G45A38-G42 PolarHBondContact O-N 2.95Å; G42-K44 PolarHBondContact O-N 2.85Å; G42-G45 PolarHBondContact O-N 2.91Å
43E98.5Very high98.7Very high97 Ų9734.7 Ų34.745%0.45321%0.207SC..THydrogen-bonded Turntrans-62.8-15.4-17368.4-171.7-126.600114.3R37 A38 T41 G45R37-E43 IonicContact CZ-OE1 3.52Å; R37-E43 IonicContact CZ-OE2 2.75Å; R37-E43 VanDerWaalsContact CZ-OE2 3.27Å; R37-E43 IonicContact NH1-OE2 3.56Å; R37-E43 PolarHBondContact NH1-OE2 3.39Å; R37-E43 IonicContact NH2-OE1 3.41Å; R37-E43 PolarHBondContact NH2-OE1 2.81Å; R37-E43 IonicContact NH2-OE2 2.84Å; R37-E43 PolarHBondContact NH2-OE2 2.84Å; A38-E43 HydrophobicContact CB-CG 4.15Å; T41-E43 PolarHBondContact O-N 2.85Å; T41-E43 WeakPolarHBondContact OG1-CB 3.49Å; T41-E43 WeakPolarHBondContact OG1-CG 3.5Å; T41-E43 PolarHBondContact OG1-N 3.07Å; T41-E43 PolarHBondContact OG1-OE2 2.86Å; E43-G45 VanDerWaalsContact C-N 3.33Å
44K97.9Very high98.7Very high108 Ų10836 Ų3647%0.4721%0.213SC..THydrogen-bonded Turntrans-91.89.4174.4-54.6-55.7-178.7-167.80113.3A38 G42 F46 I78A38-K44 HydrophobicContact CB-CG 4.48Å; G42-K44 PolarHBondContact O-N 2.85Å; K44-F46 VanDerWaalsContact C-N 3.32Å; K44-F46 HydrophobicContact CB-CD1 4.36Å; K44-F46 HydrophobicContact CB-CE1 3.89Å; K44-F46 HydrophobicContact CB-CZ 4.14Å; K44-F46 VanDerWaalsContact O-CD1 3.26Å; K44-F46 WeakPolarHBondContact O-CD1 3.19Å; K44-F46 WeakPolarHBondContact O-CE1 3.44Å; K44-I78 HydrophobicContact CG-CB 4.26Å; K44-I78 HydrophobicContact CG-CG2 3.92Å
45G98.4Very high98.7Very high78 Ų7837.3 Ų37.380%0.80422%0.215SC*.SBendtrans82.45.1-179.300000114.7G42 E43G42-G45 PolarHBondContact O-N 2.91Å; E43-G45 VanDerWaalsContact C-N 3.33Å
46F98.6Very high98.7Very high53 Ų5337.3 Ų37.323%0.23222%0.215CC..  trans-151.1155.8174.257.3-89.4000109.4L39 K44 F67 K76L39-F46 HydrophobicContact CD2-CD2 3.68Å; L39-F46 HydrophobicContact CD2-CE2 3.67Å; K44-F46 VanDerWaalsContact C-N 3.32Å; K44-F46 HydrophobicContact CB-CD1 4.36Å; K44-F46 HydrophobicContact CB-CE1 3.89Å; K44-F46 HydrophobicContact CB-CZ 4.14Å; K44-F46 VanDerWaalsContact O-CD1 3.26Å; K44-F46 WeakPolarHBondContact O-CD1 3.19Å; K44-F46 WeakPolarHBondContact O-CE1 3.44Å; F46-F67 HydrophobicContact CB-CE2 4.43Å; F46-F67 HydrophobicContact CD2-CE1 4.48Å; F46-F67 AromaticContact CD2-CE2 3.97Å; F46-F67 HydrophobicContact CD2-CE2 3.97Å; F46-F67 AromaticContact CD2-CZ 3.62Å; F46-F67 HydrophobicContact CD2-CZ 3.62Å; F46-F67 HydrophobicContact CE2-CZ 4.17Å; F46-K76 HydrophobicContact CD2-CG 4.42Å; F46-K76 HydrophobicContact CE2-CD 4.38Å; F46-K76 HydrophobicContact CE2-CG 4.11Å
47G98.6Very high98.7Very high14 Ų1438.5 Ų38.514%0.14422%0.221CC..  trans176.5-165.7-17500000114.1L39L39-G47 CarbonylContact O-C 3.51Å; L39-G47 WeakPolarHBondContact O-CA 3.36Å
48Y98.9Very high98.6Very high0 Ų039.6 Ų39.60%023%0.232CC..SBendtrans-80.3-18.8-172.7-65.1-50.6000114.8F8 F36 L39 G50 S51 F67 S110 F112F8-Y48 AromaticContact CE1-CD2 3.83Å; F8-Y48 HydrophobicContact CE1-CD2 3.83Å; F8-Y48 HydrophobicContact CE1-CG 4.2Å; F8-Y48 AromaticContact CZ-CD2 3.76Å; F8-Y48 HydrophobicContact CZ-CD2 3.76Å; F8-Y48 HydrophobicContact CZ-CE2 4.27Å; F8-Y48 HydrophobicContact CZ-CG 4.18Å; F36-Y48 HydrophobicContact CD1-CE2 4.49Å; F36-Y48 AromaticContact CD2-CE2 3.6Å; F36-Y48 HydrophobicContact CD2-CE2 3.6Å; F36-Y48 AromaticContact CD2-CZ 3.77Å; F36-Y48 WeakPolarHBondContact CD2-OH 3.42Å; F36-Y48 AromaticContact CE2-CE2 3.63Å; F36-Y48 HydrophobicContact CE2-CE2 3.63Å; F36-Y48 AromaticContact CE2-CZ 3.83Å; F36-Y48 HydrophobicContact CG-CE2 4.08Å; F36-Y48 HydrophobicContact CZ-CE2 4.12Å; L39-Y48 HydrophobicContact CB-CD2 3.66Å; L39-Y48 HydrophobicContact CB-CE1 4.26Å; L39-Y48 HydrophobicContact CB-CE2 3.3Å; L39-Y48 HydrophobicContact CB-CG 4.29Å; L39-Y48 HydrophobicContact CD1-CE1 4.16Å; L39-Y48 HydrophobicContact CD1-CE2 4.17Å; L39-Y48 WeakPolarHBondContact CD1-OH 3.45Å; L39-Y48 HydrophobicContact CG-CE2 4.39Å; L39-Y48 PolarHBondContact O-N 2.83Å; Y48-G50 PolarHBondContact O-N 3.36Å; Y48-S51 VanDerWaalsContact O-CB 3.28Å; Y48-S51 WeakPolarHBondContact O-CB 3.15Å; Y48-S51 PolarHBondContact O-N 3.45Å; Y48-S51 PolarHBondContact O-OG 2.91Å; Y48-F67 HydrophobicContact CD1-CD1 4.26Å; Y48-F67 HydrophobicContact CE1-CD1 4.4Å; Y48-S110 VanDerWaalsContact CE1-O 3.29Å; Y48-S110 WeakPolarHBondContact CE1-O 3.32Å; Y48-S110 PolarHBondContact OH-O 2.99Å; Y48-F112 HydrophobicContact CD1-CE1 4.24Å; Y48-F112 HydrophobicContact CE1-CD1 4.09Å; Y48-F112 AromaticContact CE1-CE1 3.94Å; Y48-F112 HydrophobicContact CE1-CE1 3.94Å
49K98.8Very high98.6Very high134 Ų13445.3 Ų45.358%0.58326%0.263SS*.THydrogen-bonded Turntrans-56.8124.9-179.8-174.4168.9-175.1153.30111S51 D160 C161K49-S51 VanDerWaalsContact C-N 3.27Å; K49-S51 PolarHBondContact O-N 2.89Å; K49-D160 WeakPolarHBondContact CD-OD1 3.44Å; K49-D160 VanDerWaalsContact CE-OD1 3.25Å; K49-D160 WeakPolarHBondContact CE-OD1 3.43Å; K49-D160 IonicContact NZ-OD1 2.9Å; K49-D160 PolarHBondContact NZ-OD1 3.36Å; K49-D160 IonicContact NZ-OD2 3.27Å; K49-C161 PolarHBondContact N-SG 3.36Å
50G98.6Very high98.6Very high48 Ų4847.3 Ų47.350%0.49527%0.271SS..THydrogen-bonded Turntrans81.9-7.3-177.100000115.2Y48 I158Y48-G50 PolarHBondContact O-N 3.36Å; G50-I158 WeakPolarHBondContact CA-O 3.32Å; G50-I158 PolarHBondContact N-O 2.89Å
51S98.7Very high98.6Very high2 Ų247.4 Ų47.41%0.01427%0.272CS..  trans-77.6162.9175.776.60000112.1Y48 K49 V157 I158Y48-S51 VanDerWaalsContact O-CB 3.28Å; Y48-S51 WeakPolarHBondContact O-CB 3.15Å; Y48-S51 PolarHBondContact O-N 3.45Å; Y48-S51 PolarHBondContact O-OG 2.91Å; K49-S51 VanDerWaalsContact C-N 3.27Å; K49-S51 PolarHBondContact O-N 2.89Å; S51-V157 WeakPolarHBondContact O-CA 3.39Å; S51-I158 PolarHBondContact O-N 3.01Å
52S98.4Very high98.6Very high17 Ų1745.1 Ų45.112%0.11926%0.257CS..BIsolated β-bridgetrans-113.7155.7-174.258.50000113.6H54 L156S52-H54 PolarHBondContact O-N 2.96Å; S52-L156 CarbonylContact C-O 3.5Å; S52-L156 WeakPolarHBondContact CA-O 3.3Å; S52-L156 VanDerWaalsContact CB-O 3.22Å; S52-L156 WeakPolarHBondContact CB-O 3.25Å
53F98.8Very high98.6Very high3 Ų344.9 Ų44.91%0.01325%0.249CC..  trans-80.298.9158.3-72.1-96.9000107.6F8 I10 V56 C62 Q63 F112 I114 M142 L156 I158F8-F53 HydrophobicContact CD2-CZ 4.42Å; I10-F53 HydrophobicContact CD1-CD2 4.48Å; I10-F53 HydrophobicContact CD1-CE2 3.71Å; F53-V56 HydrophobicContact CB-CG2 4.12Å; F53-C62 HydrophobicContact CD1-CB 3.94Å; F53-C62 HydrophobicContact CE1-CB 4.22Å; F53-Q63 CarbonylContact C-O 3.54Å; F53-Q63 VanDerWaalsContact CA-O 3.26Å; F53-Q63 WeakPolarHBondContact CA-O 3.45Å; F53-F112 AromaticContact CE1-CE2 3.78Å; F53-F112 HydrophobicContact CE1-CE2 3.78Å; F53-F112 AromaticContact CE1-CZ 3.94Å; F53-F112 HydrophobicContact CE1-CZ 3.94Å; F53-F112 AromaticContact CZ-CE2 3.9Å; F53-F112 HydrophobicContact CZ-CE2 3.9Å; F53-F112 AromaticContact CZ-CZ 3.77Å; F53-F112 HydrophobicContact CZ-CZ 3.77Å; F53-I114 HydrophobicContact CE1-CD1 4.42Å; F53-I114 HydrophobicContact CZ-CD1 4.46Å; F53-M142 HydrophobicContact CB-CE 4.29Å; F53-M142 HydrophobicContact CD1-CE 3.56Å; F53-M142 HydrophobicContact CD2-CE 3.4Å; F53-M142 VanDerWaalsContact CD2-CE 3.4Å; F53-M142 HydrophobicContact CE1-CE 3.6Å; F53-M142 HydrophobicContact CE2-CE 3.46Å; F53-M142 VanDerWaalsContact CE2-CE 3.46Å; F53-M142 HydrophobicContact CG-CE 3.46Å; F53-M142 VanDerWaalsContact CG-CE 3.46Å; F53-M142 HydrophobicContact CZ-CE 3.56Å; F53-L156 HydrophobicContact CB-CB 3.99Å; F53-L156 HydrophobicContact CB-CD1 4.33Å; F53-L156 PolarHBondContact N-O 3.06Å; F53-I158 HydrophobicContact CD2-CG1 4.33Å; F53-I158 HydrophobicContact CE2-CD1 3.99Å; F53-I158 HydrophobicContact CE2-CG1 3.69Å; F53-I158 HydrophobicContact CZ-CD1 4.47Å
54H98.6Very high98.6Very high30 Ų3040.2 Ų40.214%0.13923%0.227CC..  trans-86-17.1-172.661.4-91000112.7S52 Q63 H70 G72 Q111 P152S52-H54 PolarHBondContact O-N 2.96Å; H54-Q63 PolarHBondContact N-O 2.76Å; H54-H70 WeakPolarHBondContact CB-O 3.36Å; H54-G72 VanDerWaalsContact NE2-CA 3.31Å; H54-G72 WeakPolarHBondContact NE2-CA 3.47Å; H54-Q111 PolarHBondContact CE1-OE1 2.96Å; H54-P152 WeakPolarHBondContact O-CD 3.12Å
55R98.8Very high98.6Very high95 Ų9535.1 Ų35.136%0.35821%0.205SC..EExtended strand (participates in β ladder)trans-139.3112.8179.8-171.4-179.9176.3-123.63.5111.3I57 M61 Q63 G150R55-I57 VanDerWaalsContact NH2-CD1 3.28Å; R55-M61 HydrophobicContact CG-CE 4.08Å; R55-Q63 HydrophobicContact CB-CB 4.21Å; R55-Q63 PolarHBondContact N-O 3.06Å; R55-Q63 WeakPolarHBondContact O-CA 3.49Å; R55-Q63 WeakPolarHBondContact O-CB 3.48Å; R55-Q63 PolarHBondContact O-N 2.91Å; R55-G150 CarbonylContact C-O 3.59Å; R55-G150 VanDerWaalsContact CA-O 3.22Å; R55-G150 WeakPolarHBondContact CA-O 3.46Å
56V98.8Very high98.7Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-129116.2178.4-179.30000109.3F53 C62 G146 T147 G150 P152 L156F53-V56 HydrophobicContact CB-CG2 4.12Å; V56-C62 HydrophobicContact CG2-CB 4.2Å; V56-G146 WeakPolarHBondContact O-CA 3.42Å; V56-T147 PolarHBondContact O-N 3.17Å; V56-T147 VanDerWaalsContact O-N 3.16Å; V56-G150 PolarHBondContact N-O 3.43Å; V56-G150 CarbonylContact O-C 3.55Å; V56-G150 WeakPolarHBondContact O-CA 3.18Å; V56-P152 HydrophobicContact CB-CG 4.13Å; V56-P152 HydrophobicContact CG2-CG 3.93Å; V56-L156 HydrophobicContact CG2-CD1 3.88Å
57I98.8Very high98.6Very high25 Ų2530.2 Ų30.213%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-115.6115.7179.7-62.5173.7000107.5R55 F60 M61 G150R55-I57 VanDerWaalsContact NH2-CD1 3.28Å; I57-F60 HydrophobicContact CB-CB 4.03Å; I57-F60 HydrophobicContact CB-CD1 4Å; I57-F60 HydrophobicContact CD1-CD1 3.94Å; I57-F60 HydrophobicContact CD1-CE1 4.39Å; I57-F60 HydrophobicContact CG2-CB 3.82Å; I57-F60 HydrophobicContact CG2-CD1 4.12Å; I57-F60 HydrophobicContact CG2-CG 4.49Å; I57-F60 PolarHBondContact O-N 2.88Å; I57-M61 HydrophobicContact CB-CE 4.17Å; I57-M61 HydrophobicContact CD1-CE 3.99Å; I57-M61 HydrophobicContact CG1-CE 4.01Å; I57-M61 PolarHBondContact N-O 3.44Å; I57-M61 PolarHBondContact O-N 3.43Å; I57-M61 VanDerWaalsContact O-N 3.13Å; I57-G150 VanDerWaalsContact CG1-CA 3.44Å
58P98.6Very high98.6Very high50 Ų5032.7 Ų32.733%0.32517%0.174SC..THydrogen-bonded Turntrans-56.3144.2174.3-23.934.6000111.8F60 E143 T147P58-F60 PolarHBondContact O-N 2.78Å; P58-E143 HydrophobicContact CB-CG 4.28Å; P58-T147 WeakPolarHBondContact CD-O 3.46Å
59D98.2Very high98.6Very high120 Ų12036.5 Ų36.564%0.64219%0.194SC*.THydrogen-bonded Turntrans57.629.7-175.2-57.2-53.4000113.4V117 E143D59-V117 HydrophobicContact CB-CG1 4.22Å; D59-V117 WeakPolarHBondContact O-CG2 3.29Å; D59-E143 PolarHBondContact N-OE1 2.79Å
60F98.5Very high98.5Very high42 Ų4234.7 Ų34.718%0.18419%0.188CC..THydrogen-bonded Turntrans-143.5-79174.7-175.9-151.7000111.6I57 P58 T116 T119 W121 L122I57-F60 HydrophobicContact CB-CB 4.03Å; I57-F60 HydrophobicContact CB-CD1 4Å; I57-F60 HydrophobicContact CD1-CD1 3.94Å; I57-F60 HydrophobicContact CD1-CE1 4.39Å; I57-F60 HydrophobicContact CG2-CB 3.82Å; I57-F60 HydrophobicContact CG2-CD1 4.12Å; I57-F60 HydrophobicContact CG2-CG 4.49Å; I57-F60 PolarHBondContact O-N 2.88Å; P58-F60 PolarHBondContact O-N 2.78Å; F60-T116 VanDerWaalsContact C-OG1 3.26Å; F60-T116 PolarHBondContact N-OG1 2.76Å; F60-T116 PolarHBondContact O-N 3.38Å; F60-T116 VanDerWaalsContact O-N 3.07Å; F60-T116 PolarHBondContact O-OG1 3.45Å; F60-T119 HydrophobicContact CD2-CG2 3.74Å; F60-T119 HydrophobicContact CE2-CG2 3.95Å; F60-W121 AromaticContact CD2-CZ2 3.81Å; F60-W121 HydrophobicContact CD2-CZ2 3.81Å; F60-W121 AromaticContact CE2-CZ2 3.78Å; F60-W121 HydrophobicContact CE2-CZ2 3.78Å; F60-W121 AromaticContact CE2-NE1 3.79Å; F60-L122 HydrophobicContact CE2-CD1 4.04Å; F60-L122 HydrophobicContact CZ-CD1 4.37Å
61M98.6Very high98.4Very high3 Ų337 Ų372%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-167.8163.1-173.560.880-132.100114R55 I57 Q63 F113 I114R55-M61 HydrophobicContact CG-CE 4.08Å; I57-M61 HydrophobicContact CB-CE 4.17Å; I57-M61 HydrophobicContact CD1-CE 3.99Å; I57-M61 HydrophobicContact CG1-CE 4.01Å; I57-M61 PolarHBondContact N-O 3.44Å; I57-M61 PolarHBondContact O-N 3.43Å; I57-M61 VanDerWaalsContact O-N 3.13Å; M61-Q63 HydrophobicContact CE-CB 4.14Å; M61-Q63 HydrophobicContact SD-CB 3.46Å; M61-Q63 WeakPolarHBondContact SD-CB 3.33Å; M61-F113 HydrophobicContact CB-CB 4.14Å; M61-F113 HydrophobicContact CB-CD2 3.98Å; M61-F113 HydrophobicContact CB-CG 4.41Å; M61-F113 HydrophobicContact CG-CB 4.17Å; M61-F113 HydrophobicContact CG-CD2 4.26Å; M61-F113 HydrophobicContact CG-CG 4.4Å; M61-F113 HydrophobicContact SD-CB 3.77Å; M61-F113 HydrophobicContact SD-CG 4.48Å; M61-I114 CarbonylContact C-O 3.59Å; M61-I114 VanDerWaalsContact CA-O 3.24Å; M61-I114 WeakPolarHBondContact CA-O 3.47Å; M61-I114 WeakPolarHBondContact CB-O 3.46Å
62C98.8Very high98.3Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-109.9112.7167.8-59.30000109.9F53 V56 F113 I114 M142F53-C62 HydrophobicContact CD1-CB 3.94Å; F53-C62 HydrophobicContact CE1-CB 4.22Å; V56-C62 HydrophobicContact CG2-CB 4.2Å; C62-F113 CarbonylContact O-C 3.46Å; C62-F113 VanDerWaalsContact O-CA 3.23Å; C62-F113 WeakPolarHBondContact O-CA 3.45Å; C62-I114 PolarHBondContact N-O 2.93Å; C62-I114 PolarHBondContact O-N 3.43Å; C62-M142 HydrophobicContact CB-CE 4.26Å
63Q98.9Very high98.3Very high23 Ų2342.3 Ų42.311%0.10723%0.226CC..EExtended strand (participates in β ladder)trans-104.2135.4-178.8173.9178.5-3.200112.1F53 H54 R55 M61 Q111 F112 F113F53-Q63 CarbonylContact C-O 3.54Å; F53-Q63 VanDerWaalsContact CA-O 3.26Å; F53-Q63 WeakPolarHBondContact CA-O 3.45Å; H54-Q63 PolarHBondContact N-O 2.76Å; R55-Q63 HydrophobicContact CB-CB 4.21Å; R55-Q63 PolarHBondContact N-O 3.06Å; R55-Q63 WeakPolarHBondContact O-CA 3.49Å; R55-Q63 WeakPolarHBondContact O-CB 3.48Å; R55-Q63 PolarHBondContact O-N 2.91Å; M61-Q63 HydrophobicContact CE-CB 4.14Å; M61-Q63 HydrophobicContact SD-CB 3.46Å; M61-Q63 WeakPolarHBondContact SD-CB 3.33Å; Q63-Q111 VanDerWaalsContact NE2-OE1 3.1Å; Q63-F112 WeakPolarHBondContact CA-O 3.45Å; Q63-F113 HydrophobicContact CB-CB 4.08Å
64G98.8Very high98.2Very high0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-148.6-161.3-179.200000112.1D66 Q111 F112G64-D66 PolarHBondContact O-N 2.84Å; G64-Q111 VanDerWaalsContact O-CA 3.29Å; G64-Q111 WeakPolarHBondContact O-CA 3.31Å; G64-F112 PolarHBondContact N-O 2.74Å; G64-F112 PolarHBondContact O-N 2.74Å; G64-F112 VanDerWaalsContact O-N 3.14Å
65G98.4Very high98.1Very high0 Ų042.4 Ų42.40%024%0.236CC..  trans84.32.7173.700000115.9F67 S110G65-F67 PolarHBondContact O-N 3.25Å; G65-S110 CarbonylContact O-C 3.39Å; G65-S110 WeakPolarHBondContact O-CB 3.44Å; G65-S110 PolarHBondContact O-OG 3.23Å
66D98.6Very high98.1Very high0 Ų041.4 Ų41.40%023%0.234CC..  trans-83.586.7164.7-176.40.7000109.2G64 T68 N69 H70 N71 G72 T73 G74 G75 Q111G64-D66 PolarHBondContact O-N 2.84Å; D66-T68 PolarHBondContact OD1-N 2.75Å; D66-T68 PolarHBondContact OD1-OG1 3.24Å; D66-N69 PolarHBondContact OD1-N 2.75Å; D66-H70 VanDerWaalsContact O-CA 3.32Å; D66-H70 WeakPolarHBondContact O-CA 3.4Å; D66-H70 PolarHBondContact O-N 3.11Å; D66-H70 PolarHBondContact O-ND1 2.89Å; D66-H70 PolarHBondContact OD1-N 2.85Å; D66-H70 PolarHBondContact OD2-N 2.93Å; D66-H70 VanDerWaalsContact OD2-N 3.16Å; D66-N71 PolarHBondContact OD2-N 2.91Å; D66-N71 PolarHBondContact OD2-OD1 2.74Å; D66-G72 WeakPolarHBondContact OD2-CA 3.22Å; D66-G72 PolarHBondContact OD2-N 3.32Å; D66-T73 PolarHBondContact OD2-N 2.92Å; D66-G74 VanDerWaalsContact OD1-CA 3.27Å; D66-G74 WeakPolarHBondContact OD1-CA 3.38Å; D66-G74 PolarHBondContact OD2-N 3.25Å; D66-G74 VanDerWaalsContact OD2-N 3.16Å; D66-G75 PolarHBondContact OD1-N 3.47Å; D66-Q111 HydrophobicContact CB-CG 3.98Å
67F98.3Very high98.1Very high29 Ų2941.5 Ų41.513%0.12724%0.235CC..  trans-89.71.6179.159.5-108.1000113.6L39 F46 Y48 G65 K76 S110L39-F67 HydrophobicContact CD1-CE1 4.43Å; L39-F67 HydrophobicContact CD2-CE1 3.74Å; L39-F67 HydrophobicContact CD2-CZ 4.05Å; F46-F67 HydrophobicContact CB-CE2 4.43Å; F46-F67 HydrophobicContact CD2-CE1 4.48Å; F46-F67 AromaticContact CD2-CE2 3.97Å; F46-F67 HydrophobicContact CD2-CE2 3.97Å; F46-F67 AromaticContact CD2-CZ 3.62Å; F46-F67 HydrophobicContact CD2-CZ 3.62Å; F46-F67 HydrophobicContact CE2-CZ 4.17Å; Y48-F67 HydrophobicContact CD1-CD1 4.26Å; Y48-F67 HydrophobicContact CE1-CD1 4.4Å; G65-F67 PolarHBondContact O-N 3.25Å; F67-K76 HydrophobicContact CE2-CG 3.88Å; F67-K76 HydrophobicContact CZ-CG 3.66Å; F67-K76 WeakPolarHBondContact CZ-O 3.45Å; F67-S110 VanDerWaalsContact CE1-OG 3.28Å; F67-S110 WeakPolarHBondContact CE1-OG 3.23Å
68T97.8Very high98.1Very high65 Ų6542 Ų4240%0.39924%0.237SC..SBendtrans-104.7-46178.867.40000111.9D66 G74 G75D66-T68 PolarHBondContact OD1-N 2.75Å; D66-T68 PolarHBondContact OD1-OG1 3.24Å; T68-G74 VanDerWaalsContact OG1-CA 3.3Å; T68-G74 WeakPolarHBondContact OG1-CA 3.31Å; T68-G75 PolarHBondContact OG1-N 2.82Å
69N97.9Very high98.1Very high80 Ų8044 Ų4443%0.42824%0.239SC..SBendtrans-113.1-15.2-175-61.26000112.3D66 N71 T73D66-N69 PolarHBondContact OD1-N 2.75Å; N69-N71 WeakPolarHBondContact CB-OD1 3.32Å; N69-N71 PolarHBondContact O-N 2.93Å; N69-N71 VanDerWaalsContact O-N 3.13Å; N69-T73 PolarHBondContact ND2-OG1 3.2Å
70H97.5Very high98Very high96 Ų9640 Ų4044%0.44423%0.226SC..SBendtrans57.124.4176.8-53.2-72.5000115H54 D66H54-H70 WeakPolarHBondContact CB-O 3.36Å; D66-H70 VanDerWaalsContact O-CA 3.32Å; D66-H70 WeakPolarHBondContact O-CA 3.4Å; D66-H70 PolarHBondContact O-N 3.11Å; D66-H70 PolarHBondContact O-ND1 2.89Å; D66-H70 PolarHBondContact OD1-N 2.85Å; D66-H70 PolarHBondContact OD2-N 2.93Å; D66-H70 VanDerWaalsContact OD2-N 3.16Å
71N97.1Very high97.8Very high96 Ų9644 Ų4451%0.51325%0.25SC..SBendtrans-141.81.5-172.367.712.2000114.4D66 N69 T73D66-N71 PolarHBondContact OD2-N 2.91Å; D66-N71 PolarHBondContact OD2-OD1 2.74Å; N69-N71 WeakPolarHBondContact CB-OD1 3.32Å; N69-N71 PolarHBondContact O-N 2.93Å; N69-N71 VanDerWaalsContact O-N 3.13Å; N71-T73 WeakPolarHBondContact OD1-CB 3.2Å; N71-T73 WeakPolarHBondContact OD1-CG2 3.45Å; N71-T73 PolarHBondContact OD1-N 3.37Å; N71-T73 PolarHBondContact OD1-OG1 2.8Å
72G96.7Very high97.7Very high28 Ų2850.1 Ų50.129%0.28928%0.276SS..SBendtrans97.3-3179.500000114.5H54 D66 Q111H54-G72 VanDerWaalsContact NE2-CA 3.31Å; H54-G72 WeakPolarHBondContact NE2-CA 3.47Å; D66-G72 WeakPolarHBondContact OD2-CA 3.22Å; D66-G72 PolarHBondContact OD2-N 3.32Å; G72-Q111 PolarHBondContact O-NE2 3.07Å
73T97.2Very high97.7Very high104 Ų10450.6 Ų50.664%0.63828%0.278SS*.SBendtrans-96.4-10.7179.865.50000113.6D66 N69 N71D66-T73 PolarHBondContact OD2-N 2.92Å; N69-T73 PolarHBondContact ND2-OG1 3.2Å; N71-T73 WeakPolarHBondContact OD1-CB 3.2Å; N71-T73 WeakPolarHBondContact OD1-CG2 3.45Å; N71-T73 PolarHBondContact OD1-N 3.37Å; N71-T73 PolarHBondContact OD1-OG1 2.8Å
74G97.2Very high97.7Very high17 Ų1751.9 Ų51.918%0.17529%0.293CS..  trans-111.9-153.2-17500000114.4D66 T68 Q111D66-G74 VanDerWaalsContact OD1-CA 3.27Å; D66-G74 WeakPolarHBondContact OD1-CA 3.38Å; D66-G74 PolarHBondContact OD2-N 3.25Å; D66-G74 VanDerWaalsContact OD2-N 3.16Å; T68-G74 VanDerWaalsContact OG1-CA 3.3Å; T68-G74 WeakPolarHBondContact OG1-CA 3.31Å; G74-Q111 PolarHBondContact O-NE2 3.33Å
75G97.5Very high97.7Very high17 Ų1753.2 Ų53.218%0.17530%0.3CS..  trans92.6154.5-175.300000113.4D66 T68 S110D66-G75 PolarHBondContact OD1-N 3.47Å; T68-G75 PolarHBondContact OG1-N 2.82Å; G75-S110 WeakPolarHBondContact CA-OG 3.43Å
76K98.3Very high97.7Very high74 Ų7456 Ų5632%0.32231%0.313SS..  trans-151.4147.8175.863.4178.1-175.61780110.3F46 F67 S110F46-K76 HydrophobicContact CD2-CG 4.42Å; F46-K76 HydrophobicContact CE2-CD 4.38Å; F46-K76 HydrophobicContact CE2-CG 4.11Å; F67-K76 HydrophobicContact CE2-CG 3.88Å; F67-K76 HydrophobicContact CZ-CG 3.66Å; F67-K76 WeakPolarHBondContact CZ-O 3.45Å; K76-S110 PolarHBondContact N-OG 3.49Å; K76-S110 VanDerWaalsContact N-OG 3.17Å; K76-S110 WeakPolarHBondContact O-CB 3.25Å
77S98.6Very high97.7Very high2 Ų258.1 Ų58.11%0.01432%0.324CS..BIsolated β-bridgetrans-82.6170.317575.90000111.5N35 Y79 G80N35-S77 WeakPolarHBondContact OD1-CA 3.26Å; N35-S77 WeakPolarHBondContact OD1-CB 3.4Å; S77-Y79 PolarHBondContact O-N 2.78Å; S77-Y79 PolarHBondContact OG-N 3.39Å; S77-G80 WeakPolarHBondContact CA-O 3.21Å; S77-G80 WeakPolarHBondContact CB-O 3.29Å; S77-G80 PolarHBondContact N-O 2.76Å; S77-G80 PolarHBondContact O-N 3.17Å; S77-G80 PolarHBondContact OG-N 3.18Å; S77-G80 PolarHBondContact OG-O 3.26Å
78I98.7Very high97.7Very high36 Ų3660.5 Ų60.519%0.18534%0.335CS..THydrogen-bonded Turntrans-67.5-11.9168.668.8171.5000113.2E34 N35 A38 L39 K44E34-I78 HydrophobicContact CG-CD1 4.07Å; N35-I78 HydrophobicContact CB-CG1 4.32Å; N35-I78 PolarHBondContact OD1-N 3.32Å; A38-I78 HydrophobicContact CB-CD1 4.01Å; A38-I78 HydrophobicContact CB-CG2 3.82Å; L39-I78 HydrophobicContact CD2-CG2 4.3Å; L39-I78 HydrophobicContact CG-CG2 4.2Å; K44-I78 HydrophobicContact CG-CB 4.26Å; K44-I78 HydrophobicContact CG-CG2 3.92Å
79Y98.4Very high97.7Very high92 Ų9261.9 Ų61.936%0.36135%0.347SS..THydrogen-bonded Turntrans-99.62.1-179.3-45.4-62.4000113.2K31 N35 S77 F83K31-Y79 HydrophobicContact CD-CE2 4.21Å; K31-Y79 HydrophobicContact CG-CD2 4.24Å; K31-Y79 HydrophobicContact CG-CE1 4.34Å; K31-Y79 HydrophobicContact CG-CE2 3.42Å; K31-Y79 VanDerWaalsContact CG-CE2 3.42Å; K31-Y79 VanDerWaalsContact CG-CZ 3.49Å; K31-Y79 WeakPolarHBondContact CG-OH 3.28Å; K31-Y79 WeakPolarHBondContact O-CE2 3.48Å; K31-Y79 PolarHBondContact O-OH 3.41Å; N35-Y79 HydrophobicContact CB-CE2 3.82Å; S77-Y79 PolarHBondContact O-N 2.78Å; S77-Y79 PolarHBondContact OG-N 3.39Å; Y79-F83 HydrophobicContact CD2-CB 4.16Å; Y79-F83 HydrophobicContact CD2-CD1 4.18Å; Y79-F83 HydrophobicContact CD2-CG 4.06Å
80G97Very high97.8Very high36 Ų3659.7 Ų59.737%0.37134%0.335SS..BIsolated β-bridgetrans120.5-165-171.800000112.3S77 K82S77-G80 WeakPolarHBondContact CA-O 3.21Å; S77-G80 WeakPolarHBondContact CB-O 3.29Å; S77-G80 PolarHBondContact N-O 2.76Å; S77-G80 PolarHBondContact O-N 3.17Å; S77-G80 PolarHBondContact OG-N 3.18Å; S77-G80 PolarHBondContact OG-O 3.26Å; G80-K82 VanDerWaalsContact C-N 3.34Å; G80-K82 PolarHBondContact O-N 2.99Å
81N94.5Very high97.8Very high127 Ų12758.1 Ų58.168%0.67933%0.333SS*.SBendtrans-62.7-38.8-173.2-69.4-14.7000113.1
82K96.2Very high97.9Very high130 Ų13053.6 Ų53.657%0.56531%0.308SS*.  trans-142.5154.7-178-66177.5176.4-176.30111.5G80 T107 N108G80-K82 VanDerWaalsContact C-N 3.34Å; G80-K82 PolarHBondContact O-N 2.99Å; K82-T107 HydrophobicContact CD-CG2 3.94Å; K82-N108 CarbonylContact C-O 3.49Å; K82-N108 WeakPolarHBondContact CA-O 3.39Å
83F98.5Very high98Very high10 Ų1056.5 Ų56.54%0.04432%0.32CS..BIsolated β-bridgetrans-138.8160.1168.171.4-81.4000112.1T32 N35 Y79 M100 N106 N108 G109T32-F83 HydrophobicContact CG2-CE2 4.39Å; T32-F83 HydrophobicContact CG2-CZ 4.22Å; N35-F83 HydrophobicContact CB-CE1 4.45Å; N35-F83 HydrophobicContact CB-CZ 4.43Å; Y79-F83 HydrophobicContact CD2-CB 4.16Å; Y79-F83 HydrophobicContact CD2-CD1 4.18Å; Y79-F83 HydrophobicContact CD2-CG 4.06Å; F83-M100 HydrophobicContact CE1-CE 4.14Å; F83-M100 HydrophobicContact CZ-CE 4.11Å; F83-N106 CarbonylContact O-C 3.56Å; F83-N108 HydrophobicContact CD1-CB 3.73Å; F83-N108 WeakPolarHBondContact CD1-O 3.47Å; F83-N108 HydrophobicContact CD2-CB 4.09Å; F83-N108 HydrophobicContact CE1-CB 3.4Å; F83-N108 VanDerWaalsContact CE1-CB 3.4Å; F83-N108 HydrophobicContact CE2-CB 3.79Å; F83-N108 HydrophobicContact CG-CB 4.07Å; F83-N108 HydrophobicContact CZ-CB 3.44Å; F83-N108 VanDerWaalsContact CZ-CB 3.44Å; F83-N108 PolarHBondContact N-O 3.19Å; F83-N108 WeakPolarHBondContact O-CB 3.39Å; F83-N108 PolarHBondContact O-N 3.41Å; F83-N108 VanDerWaalsContact O-N 3.12Å; F83-N108 PolarHBondContact O-ND2 3.41Å; F83-G109 WeakPolarHBondContact CE1-O 3.18Å
84A98.5Very high98Very high51 Ų5152 Ų5242%0.42130%0.295SS..  trans-65.4158.8-175.500000113.6E86 N106 N108A84-E86 PolarHBondContact O-N 2.8Å; A84-N106 WeakPolarHBondContact CA-OD1 3.48Å; A84-N106 HydrophobicContact CB-CB 4.37Å; A84-N106 WeakPolarHBondContact CB-OD1 3.41Å; A84-N108 PolarHBondContact O-ND2 3.26Å; A84-N108 VanDerWaalsContact O-ND2 3.16Å
85D98.7Very high98.1Very high27 Ų2754.8 Ų54.814%0.14431%0.31CS..  trans-69119.5167.1-62-48.1000108.6F88 P105 N106 N108 V127D85-F88 HydrophobicContact CB-CE1 4.27Å; D85-F88 HydrophobicContact CB-CE2 4.2Å; D85-F88 HydrophobicContact CB-CZ 3.63Å; D85-P105 WeakPolarHBondContact OD2-CA 3.31Å; D85-N106 PolarHBondContact N-OD1 2.96Å; D85-N106 PolarHBondContact OD2-N 2.91Å; D85-N108 WeakPolarHBondContact CA-ND2 3.25Å; D85-N108 PolarHBondContact N-ND2 3.32Å; D85-N108 PolarHBondContact OD1-ND2 3.24Å; D85-V127 HydrophobicContact CB-CG2 3.88Å
86E98.4Very high98.1Very high60 Ų6054.1 Ų54.128%0.2830%0.303SS..  trans-74.8-47.8-171.9-172.7166.4-163.400112.4V29 P30 K31 T32 A84V29-E86 VanDerWaalsContact C-CD 3.46Å; V29-E86 VanDerWaalsContact CA-CD 3.43Å; V29-E86 VanDerWaalsContact CA-OE2 3.23Å; V29-E86 WeakPolarHBondContact CA-OE2 3.46Å; V29-E86 HydrophobicContact CB-CG 4.39Å; V29-E86 VanDerWaalsContact CB-OE2 3.29Å; V29-E86 WeakPolarHBondContact CB-OE2 3.41Å; V29-E86 HydrophobicContact CG1-CB 4.2Å; V29-E86 HydrophobicContact CG1-CG 4.25Å; P30-E86 WeakPolarHBondContact CD-OE1 3.12Å; P30-E86 WeakPolarHBondContact CG-OE1 3.32Å; K31-E86 VanDerWaalsContact CB-OE1 3.31Å; K31-E86 WeakPolarHBondContact CB-OE1 3.45Å; K31-E86 WeakPolarHBondContact CB-OE2 3.45Å; K31-E86 PolarHBondContact N-OE1 2.87Å; K31-E86 PolarHBondContact N-OE2 3.2Å; T32-E86 WeakPolarHBondContact CB-OE2 3.24Å; T32-E86 PolarHBondContact N-OE2 2.98Å; T32-E86 PolarHBondContact OG1-OE2 3.01Å; A84-E86 PolarHBondContact O-N 2.8Å
87N98.5Very high98.2Very high43 Ų4351.6 Ų51.623%0.2329%0.293CS..  trans-169.8176.1165.359.572.8000109.7V28 V29 S89V28-N87 PolarHBondContact O-ND2 3.24Å; V29-N87 WeakPolarHBondContact CG1-ND2 3.49Å; N87-S89 WeakPolarHBondContact OD1-CB 3.42Å; N87-S89 PolarHBondContact OD1-N 3.14Å; N87-S89 PolarHBondContact OD1-OG 3.01Å
88F98.4Very high98.2Very high79 Ų7951.5 Ų51.535%0.34629%0.292SS..  trans-12232.1176.8-56.4-71.5000112.3D85 L90 G124 V127D85-F88 HydrophobicContact CB-CE1 4.27Å; D85-F88 HydrophobicContact CB-CE2 4.2Å; D85-F88 HydrophobicContact CB-CZ 3.63Å; F88-L90 PolarHBondContact O-N 3.48Å; F88-G124 WeakPolarHBondContact CZ-O 3.5Å; F88-V127 HydrophobicContact CD1-CG2 4.37Å; F88-V127 HydrophobicContact CE1-CG2 3.94Å
89S98.5Very high98.2Very high95 Ų9549.8 Ų49.866%0.66428%0.283SS*.  trans-68.3-25.2-178.9-61.90000113.1N87N87-S89 WeakPolarHBondContact OD1-CB 3.42Å; N87-S89 PolarHBondContact OD1-N 3.14Å; N87-S89 PolarHBondContact OD1-OG 3.01Å
90L98.5Very high98.2Very high34 Ų3445.4 Ų45.418%0.17827%0.266CS..SBendtrans-99.1142.7174.9-60.2176.6000110.1R25 V28 F88 V128R25-L90 HydrophobicContact CB-CD1 3.71Å; R25-L90 HydrophobicContact CG-CD1 3.66Å; R25-L90 VanDerWaalsContact NH1-CD2 3.34Å; V28-L90 HydrophobicContact CB-CD1 4.21Å; V28-L90 HydrophobicContact CG1-CD1 4.24Å; V28-L90 HydrophobicContact CG1-CG 4.07Å; V28-L90 HydrophobicContact CG2-CD1 4.44Å; F88-L90 PolarHBondContact O-N 3.48Å; L90-V128 HydrophobicContact CB-CB 3.69Å; L90-V128 HydrophobicContact CB-CG1 3.71Å; L90-V128 HydrophobicContact CD1-CG1 4.32Å
91T98.6Very high98.3Very high63 Ų6344.1 Ų44.139%0.38725%0.252SS..  trans-122.3164.4-173.953.40000111.9T93 D123T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 2.82Å; T91-T93 WeakPolarHBondContact OG1-CG2 3.28Å; T91-D123 WeakPolarHBondContact CA-OD1 3.48Å; T91-D123 WeakPolarHBondContact CB-OD1 3.48Å; T91-D123 HydrophobicContact CG2-CB 4.48Å
92H98.8Very high98.4Very high1 Ų140 Ų401%0.00523%0.23CC..  trans-84.169.5-175.2-58.781.3000111.1G94 S99 F113 K118 T119 L122 D123 H126 V128H92-G94 PolarHBondContact O-N 3.4Å; H92-S99 WeakPolarHBondContact NE2-CB 3.45Å; H92-S99 PolarHBondContact NE2-OG 3Å; H92-F113 AromaticContact CD2-CE2 3.97Å; H92-F113 AromaticContact NE2-CZ 3.65Å; H92-K118 WeakPolarHBondContact O-CG 3.21Å; H92-T119 VanDerWaalsContact CB-OG1 3.29Å; H92-T119 WeakPolarHBondContact CB-OG1 3.29Å; H92-T119 PolarHBondContact O-N 3.37Å; H92-L122 PolarHBondContact CE1-O 3.18Å; H92-D123 IonicContact CE1-OD1 3.84Å; H92-D123 IonicContact CG-OD1 2.85Å; H92-D123 PolarHBondContact N-OD1 3.44Å; H92-D123 IonicContact ND1-OD1 3.77Å; H92-D123 PolarHBondContact ND1-OD1 3.45Å; H92-H126 PolarHBondContact CE1-O 3.31Å; H92-V128 WeakPolarHBondContact NE2-CG2 3.35Å
93T98.4Very high98.3Very high88 Ų8838.1 Ų38.154%0.5424%0.239SC..  trans-73.8-18.7-168.755.50000115T91 K118T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 2.82Å; T91-T93 WeakPolarHBondContact OG1-CG2 3.28Å; T93-K118 WeakPolarHBondContact O-CG 3.39Å
94G98.3Very high98.2Very high10 Ų1039 Ų3910%0.10325%0.25CS..SBendtrans171.8-169.7-178.300000115.6H92 I97 V117H92-G94 PolarHBondContact O-N 3.4Å; G94-I97 VanDerWaalsContact O-CG1 3.26Å; G94-I97 WeakPolarHBondContact O-CG1 3.46Å; G94-V117 CarbonylContact C-O 3.6Å
95P98.7Very high98.1Very high75 Ų7541.6 Ų41.649%0.48726%0.263SS..THydrogen-bonded Turntrans-57.7145.3174.5-19.530.2000112.3I97 C115 T116 M136P95-I97 VanDerWaalsContact C-N 3.29Å; P95-I97 PolarHBondContact O-N 2.91Å; P95-C115 CarbonylContact C-O 3.43Å; P95-C115 WeakPolarHBondContact CA-O 3.29Å; P95-T116 WeakPolarHBondContact CG-O 3.26Å; P95-M136 HydrophobicContact CB-CE 3.77Å
96G98.6Very high98.1Very high3 Ų344.5 Ų44.53%0.03128%0.278CS..THydrogen-bonded Turntrans85-6.7179.200000114.6L98 C115 S131 V132 M136G96-L98 PolarHBondContact O-N 3.49Å; G96-C115 PolarHBondContact N-O 3.25Å; G96-S131 CarbonylContact O-C 3.54Å; G96-S131 VanDerWaalsContact O-CA 3.25Å; G96-S131 WeakPolarHBondContact O-CA 3.46Å; G96-V132 PolarHBondContact O-N 3.47Å; G96-M136 WeakPolarHBondContact CA-SD 3.49Å
97I98.8Very high98Very high21 Ų2142.8 Ų42.811%0.10827%0.272CS..EExtended strand (participates in β ladder)trans-64.1129.2173.2-67.5-61.4000110.4G94 P95 I114 C115 V128G94-I97 VanDerWaalsContact O-CG1 3.26Å; G94-I97 WeakPolarHBondContact O-CG1 3.46Å; P95-I97 VanDerWaalsContact C-N 3.29Å; P95-I97 PolarHBondContact O-N 2.91Å; I97-I114 WeakPolarHBondContact O-CA 3.43Å; I97-C115 HydrophobicContact CB-CB 4.19Å; I97-C115 PolarHBondContact O-N 3.13Å; I97-C115 PolarHBondContact O-SG 3.44Å; I97-V128 HydrophobicContact CG2-CB 4.39Å; I97-V128 HydrophobicContact CG2-CG1 3.66Å; I97-V128 HydrophobicContact CG2-CG2 3.85Å
98L98.8Very high98Very high0 Ų040.8 Ų40.80%026%0.261CS..EExtended strand (participates in β ladder)trans-102.3123.7178.3-175.968.2000109.5M22 L24 F36 G96 F112 I114 F129 G130M22-L98 HydrophobicContact CB-CD2 4.29Å; M22-L98 HydrophobicContact CG-CD2 4.33Å; M22-L98 HydrophobicContact SD-CD1 4.26Å; M22-L98 HydrophobicContact SD-CD2 3.95Å; L24-L98 HydrophobicContact CD2-CD2 3.93Å; F36-L98 HydrophobicContact CD1-CD2 4.38Å; F36-L98 HydrophobicContact CE1-CD2 3.92Å; F36-L98 HydrophobicContact CE2-CD1 4.41Å; F36-L98 HydrophobicContact CE2-CD2 4.37Å; F36-L98 HydrophobicContact CZ-CD1 4.23Å; F36-L98 HydrophobicContact CZ-CD2 3.91Å; G96-L98 PolarHBondContact O-N 3.49Å; L98-F112 HydrophobicContact CD1-CB 4.44Å; L98-F112 HydrophobicContact CD1-CD2 3.53Å; L98-F112 HydrophobicContact CD1-CE2 4.17Å; L98-F112 HydrophobicContact CD1-CG 4.29Å; L98-I114 HydrophobicContact CD1-CG1 3.88Å; L98-F129 HydrophobicContact CD1-CZ 4.03Å; L98-F129 HydrophobicContact CD2-CD2 3.97Å; L98-F129 HydrophobicContact CD2-CE1 4.5Å; L98-F129 HydrophobicContact CD2-CE2 3.22Å; L98-F129 HydrophobicContact CD2-CZ 3.57Å; L98-F129 HydrophobicContact CG-CD2 4.29Å; L98-F129 HydrophobicContact CG-CE1 3.94Å; L98-F129 HydrophobicContact CG-CE2 3.59Å; L98-F129 HydrophobicContact CG-CZ 3.4Å; L98-F129 PolarHBondContact O-N 2.76Å; L98-G130 WeakPolarHBondContact CB-O 3.5Å; L98-G130 PolarHBondContact N-O 3.16Å; L98-G130 PolarHBondContact O-N 2.95Å
99S98.9Very high98.1Very high0 Ų037.5 Ų37.50%025%0.25CC..EExtended strand (participates in β ladder)trans-144.4152.3-171-172.80000112.3H92 F112 F113 H126 V127 F129H92-S99 WeakPolarHBondContact NE2-CB 3.45Å; H92-S99 PolarHBondContact NE2-OG 3Å; S99-F112 CarbonylContact O-C 3.51Å; S99-F112 VanDerWaalsContact O-CA 3.28Å; S99-F112 WeakPolarHBondContact O-CA 3.22Å; S99-F113 PolarHBondContact N-O 2.68Å; S99-F113 PolarHBondContact O-N 2.72Å; S99-F113 WeakPolarHBondContact OG-CZ 3.23Å; S99-H126 WeakPolarHBondContact OG-CB 3.46Å; S99-V127 WeakPolarHBondContact CA-O 3.39Å; S99-V127 PolarHBondContact OG-O 2.87Å; S99-F129 VanDerWaalsContact C-CE1 3.44Å
100M98.8Very high98.1Very high0 Ų033 Ų330%022%0.218CC..EExtended strand (participates in β ladder)trans-75131.5-177.8-73.2-55.8-66.900111.4T32 F83 N108 Q111 F113 H126 V127 F129T32-M100 HydrophobicContact CG2-CG 3.65Å; T32-M100 HydrophobicContact CG2-SD 4.03Å; F83-M100 HydrophobicContact CE1-CE 4.14Å; F83-M100 HydrophobicContact CZ-CE 4.11Å; M100-N108 VanDerWaalsContact CB-OD1 3.28Å; M100-N108 WeakPolarHBondContact CB-OD1 3.38Å; M100-N108 HydrophobicContact CE-CB 3.85Å; M100-Q111 WeakPolarHBondContact CE-O 3.16Å; M100-F113 WeakPolarHBondContact O-CE1 3.28Å; M100-H126 WeakPolarHBondContact O-CB 3.28Å; M100-H126 PolarHBondContact O-ND1 2.89Å; M100-V127 HydrophobicContact CB-CB 4.49Å; M100-V127 HydrophobicContact CG-CB 4.38Å; M100-V127 PolarHBondContact N-O 2.99Å; M100-F129 HydrophobicContact CG-CD1 3.78Å; M100-F129 HydrophobicContact CG-CE1 3.82Å; M100-F129 HydrophobicContact SD-CD1 3.98Å; M100-F129 HydrophobicContact SD-CE1 3.5Å; M100-F129 WeakPolarHBondContact SD-CE1 3.32Å; M100-F129 HydrophobicContact SD-CZ 4.11Å
101A98.4Very high98.1Very high10 Ų1032.4 Ų32.48%0.08322%0.215CC..  trans-81.1144.8162.800000109.4Q111 F113A101-Q111 HydrophobicContact CB-CB 3.76Å; A101-Q111 PolarHBondContact N-O 2.93Å; A101-F113 HydrophobicContact CB-CD1 4.29Å
102N96.2Very high98.1Very high41 Ų4129.4 Ų29.422%0.21920%0.196CC..  trans-147.9169.8179.568.539.1000111.1G104 T107 K125 H126N102-G104 PolarHBondContact OD1-N 3.28Å; N102-T107 WeakPolarHBondContact CB-OG1 3.42Å; N102-K125 PolarHBondContact ND2-O 3.49Å; N102-H126 PolarHBondContact ND2-ND1 3.25Å; N102-H126 PolarHBondContact OD1-CE1 2.86Å
103A95.4Very high98.1Very high90 Ų9029.7 Ų29.774%0.74420%0.198SC*.SBendtrans-114.944.1174.800000110.4T107A103-T107 PolarHBondContact N-OG1 3.45Å
104G95.4Very high98.1Very high28 Ų2825.5 Ų25.529%0.28917%0.172SC..SBendtrans107176.5-173.600000113.5N102 N106 T107N102-G104 PolarHBondContact OD1-N 3.28Å; G104-N106 PolarHBondContact O-N 3.27Å; G104-T107 PolarHBondContact N-OG1 2.91Å; G104-T107 PolarHBondContact O-N 2.88Å; G104-T107 PolarHBondContact O-OG1 3.29Å
105P97.4Very high98.2Very high106 Ų10625 Ų2569%0.68817%0.167SC*.THydrogen-bonded Turntrans-54.9138.9-174.1-26.134.6000112.9D85 T107D85-P105 WeakPolarHBondContact OD2-CA 3.31Å; P105-T107 VanDerWaalsContact C-N 3.32Å; P105-T107 PolarHBondContact O-N 2.87Å
106N97.3Very high98.2Very high87 Ų8721.5 Ų21.547%0.46514%0.144SC..THydrogen-bonded Turntrans59.934.1175.9-56.8-57.2000114.9F83 A84 D85 G104F83-N106 CarbonylContact O-C 3.56Å; A84-N106 WeakPolarHBondContact CA-OD1 3.48Å; A84-N106 HydrophobicContact CB-CB 4.37Å; A84-N106 WeakPolarHBondContact CB-OD1 3.41Å; D85-N106 PolarHBondContact N-OD1 2.96Å; D85-N106 PolarHBondContact OD2-N 2.91Å; G104-N106 PolarHBondContact O-N 3.27Å
107T98.1Very high98.1Very high25 Ų2523.1 Ų23.115%0.15315%0.153CC..  trans-119.327.8-18066.30000114K82 N102 A103 G104 P105 G109K82-T107 HydrophobicContact CD-CG2 3.94Å; N102-T107 WeakPolarHBondContact CB-OG1 3.42Å; A103-T107 PolarHBondContact N-OG1 3.45Å; G104-T107 PolarHBondContact N-OG1 2.91Å; G104-T107 PolarHBondContact O-N 2.88Å; G104-T107 PolarHBondContact O-OG1 3.29Å; P105-T107 VanDerWaalsContact C-N 3.32Å; P105-T107 PolarHBondContact O-N 2.87Å; T107-G109 PolarHBondContact O-N 2.92Å
108N98.7Very high98.1Very high0 Ų028.1 Ų28.10%017%0.174CC..BIsolated β-bridgetrans-63.7134.3176.8-59.6-59.3000110.5K82 F83 A84 D85 M100K82-N108 CarbonylContact C-O 3.49Å; K82-N108 WeakPolarHBondContact CA-O 3.39Å; F83-N108 HydrophobicContact CD1-CB 3.73Å; F83-N108 WeakPolarHBondContact CD1-O 3.47Å; F83-N108 HydrophobicContact CD2-CB 4.09Å; F83-N108 HydrophobicContact CE1-CB 3.4Å; F83-N108 VanDerWaalsContact CE1-CB 3.4Å; F83-N108 HydrophobicContact CE2-CB 3.79Å; F83-N108 HydrophobicContact CG-CB 4.07Å; F83-N108 HydrophobicContact CZ-CB 3.44Å; F83-N108 VanDerWaalsContact CZ-CB 3.44Å; F83-N108 PolarHBondContact N-O 3.19Å; F83-N108 WeakPolarHBondContact O-CB 3.39Å; F83-N108 PolarHBondContact O-N 3.41Å; F83-N108 VanDerWaalsContact O-N 3.12Å; F83-N108 PolarHBondContact O-ND2 3.41Å; A84-N108 PolarHBondContact O-ND2 3.26Å; A84-N108 VanDerWaalsContact O-ND2 3.16Å; D85-N108 WeakPolarHBondContact CA-ND2 3.25Å; D85-N108 PolarHBondContact N-ND2 3.32Å; D85-N108 PolarHBondContact OD1-ND2 3.24Å; M100-N108 VanDerWaalsContact CB-OD1 3.28Å; M100-N108 WeakPolarHBondContact CB-OD1 3.38Å; M100-N108 HydrophobicContact CE-CB 3.85Å
109G98.6Very high98.1Very high10 Ų1028.1 Ų28.110%0.10317%0.174CC..  trans-127.3-110.2177.700000110.6N35 F83 T107N35-G109 PolarHBondContact ND2-O 2.93Å; F83-G109 WeakPolarHBondContact CE1-O 3.18Å; T107-G109 PolarHBondContact O-N 2.92Å
110S98.8Very high98Very high0 Ų031.2 Ų31.20%019%0.193CC..SBendtrans-116.3-12.6172.1540000114Y48 G65 F67 G75 K76Y48-S110 VanDerWaalsContact CE1-O 3.29Å; Y48-S110 WeakPolarHBondContact CE1-O 3.32Å; Y48-S110 PolarHBondContact OH-O 2.99Å; G65-S110 CarbonylContact O-C 3.39Å; G65-S110 WeakPolarHBondContact O-CB 3.44Å; G65-S110 PolarHBondContact O-OG 3.23Å; F67-S110 VanDerWaalsContact CE1-OG 3.28Å; F67-S110 WeakPolarHBondContact CE1-OG 3.23Å; G75-S110 WeakPolarHBondContact CA-OG 3.43Å; K76-S110 PolarHBondContact N-OG 3.49Å; K76-S110 VanDerWaalsContact N-OG 3.17Å; K76-S110 WeakPolarHBondContact O-CB 3.25Å
111Q98.9Very high98Very high22 Ų2237.8 Ų37.810%0.10322%0.218CC..  trans-72.3141.5-177.5-65.1-171.150.600111.3H54 Q63 G64 D66 G72 G74 M100 A101H54-Q111 PolarHBondContact CE1-OE1 2.96Å; Q63-Q111 VanDerWaalsContact NE2-OE1 3.1Å; G64-Q111 VanDerWaalsContact O-CA 3.29Å; G64-Q111 WeakPolarHBondContact O-CA 3.31Å; D66-Q111 HydrophobicContact CB-CG 3.98Å; G72-Q111 PolarHBondContact O-NE2 3.07Å; G74-Q111 PolarHBondContact O-NE2 3.33Å; M100-Q111 WeakPolarHBondContact CE-O 3.16Å; A101-Q111 HydrophobicContact CB-CB 3.76Å; A101-Q111 PolarHBondContact N-O 2.93Å
112F98.9Very high98Very high0 Ų038.2 Ų38.20%022%0.219CC..EExtended strand (participates in β ladder)trans-145.1167.2-177.168.4-86.5000109.6F8 F36 Y48 F53 Q63 G64 L98 S99 I114 F129 I158F8-F112 HydrophobicContact CD2-CZ 4.38Å; F8-F112 HydrophobicContact CE2-CE1 4.16Å; F8-F112 AromaticContact CE2-CE2 3.86Å; F8-F112 HydrophobicContact CE2-CE2 3.86Å; F8-F112 AromaticContact CE2-CZ 3.39Å; F8-F112 HydrophobicContact CE2-CZ 3.39Å; F8-F112 HydrophobicContact CZ-CE1 4.21Å; F8-F112 AromaticContact CZ-CZ 3.89Å; F8-F112 HydrophobicContact CZ-CZ 3.89Å; F36-F112 HydrophobicContact CD2-CD1 4.44Å; F36-F112 HydrophobicContact CE2-CB 4.12Å; F36-F112 AromaticContact CE2-CD1 3.59Å; F36-F112 HydrophobicContact CE2-CD1 3.59Å; F36-F112 HydrophobicContact CE2-CD2 4.07Å; F36-F112 AromaticContact CE2-CE1 3.93Å; F36-F112 HydrophobicContact CE2-CE1 3.93Å; F36-F112 HydrophobicContact CE2-CE2 4.39Å; F36-F112 AromaticContact CE2-CG 3.65Å; F36-F112 HydrophobicContact CE2-CG 3.65Å; F36-F112 HydrophobicContact CE2-CZ 4.34Å; F36-F112 HydrophobicContact CZ-CD1 4.45Å; F36-F112 HydrophobicContact CZ-CD2 4.45Å; F36-F112 HydrophobicContact CZ-CE1 4.44Å; F36-F112 HydrophobicContact CZ-CE2 4.46Å; F36-F112 HydrophobicContact CZ-CG 4.45Å; F36-F112 HydrophobicContact CZ-CZ 4.46Å; Y48-F112 HydrophobicContact CD1-CE1 4.24Å; Y48-F112 HydrophobicContact CE1-CD1 4.09Å; Y48-F112 AromaticContact CE1-CE1 3.94Å; Y48-F112 HydrophobicContact CE1-CE1 3.94Å; F53-F112 AromaticContact CE1-CE2 3.78Å; F53-F112 HydrophobicContact CE1-CE2 3.78Å; F53-F112 AromaticContact CE1-CZ 3.94Å; F53-F112 HydrophobicContact CE1-CZ 3.94Å; F53-F112 AromaticContact CZ-CE2 3.9Å; F53-F112 HydrophobicContact CZ-CE2 3.9Å; F53-F112 AromaticContact CZ-CZ 3.77Å; F53-F112 HydrophobicContact CZ-CZ 3.77Å; Q63-F112 WeakPolarHBondContact CA-O 3.45Å; G64-F112 PolarHBondContact N-O 2.74Å; G64-F112 PolarHBondContact O-N 2.74Å; G64-F112 VanDerWaalsContact O-N 3.14Å; L98-F112 HydrophobicContact CD1-CB 4.44Å; L98-F112 HydrophobicContact CD1-CD2 3.53Å; L98-F112 HydrophobicContact CD1-CE2 4.17Å; L98-F112 HydrophobicContact CD1-CG 4.29Å; S99-F112 CarbonylContact O-C 3.51Å; S99-F112 VanDerWaalsContact O-CA 3.28Å; S99-F112 WeakPolarHBondContact O-CA 3.22Å; F112-I114 HydrophobicContact CD2-CG1 4.39Å; F112-I114 HydrophobicContact CE2-CD1 4.39Å; F112-I114 HydrophobicContact CE2-CG1 4.17Å; F112-F129 HydrophobicContact CB-CE1 4.35Å; F112-F129 HydrophobicContact CB-CZ 4.19Å; F112-I158 HydrophobicContact CZ-CD1 4.36Å
113F98.9Very high98.1Very high8 Ų838.7 Ų38.74%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-137.4150.7167.860.7-89.4000112.2M61 C62 Q63 H92 S99 M100 A101 C115 L122 H126M61-F113 HydrophobicContact CB-CB 4.14Å; M61-F113 HydrophobicContact CB-CD2 3.98Å; M61-F113 HydrophobicContact CB-CG 4.41Å; M61-F113 HydrophobicContact CG-CB 4.17Å; M61-F113 HydrophobicContact CG-CD2 4.26Å; M61-F113 HydrophobicContact CG-CG 4.4Å; M61-F113 HydrophobicContact SD-CB 3.77Å; M61-F113 HydrophobicContact SD-CG 4.48Å; C62-F113 CarbonylContact O-C 3.46Å; C62-F113 VanDerWaalsContact O-CA 3.23Å; C62-F113 WeakPolarHBondContact O-CA 3.45Å; Q63-F113 HydrophobicContact CB-CB 4.08Å; H92-F113 AromaticContact CD2-CE2 3.97Å; H92-F113 AromaticContact NE2-CZ 3.65Å; S99-F113 PolarHBondContact N-O 2.68Å; S99-F113 PolarHBondContact O-N 2.72Å; S99-F113 WeakPolarHBondContact OG-CZ 3.23Å; M100-F113 WeakPolarHBondContact O-CE1 3.28Å; A101-F113 HydrophobicContact CB-CD1 4.29Å; F113-C115 VanDerWaalsContact CE2-SG 3.57Å; F113-L122 HydrophobicContact CE2-CD1 3.79Å; F113-L122 HydrophobicContact CZ-CD1 3.61Å; F113-H126 HydrophobicContact CE1-CB 4.21Å; F113-H126 AromaticContact CE1-ND1 3.9Å; F113-H126 HydrophobicContact CZ-CB 4.12Å
114I98.9Very high98.2Very high0 Ų036.6 Ų36.60%021%0.209CC..EExtended strand (participates in β ladder)trans-105.3119.6170.4-52.9175.8000107.3I20 F53 M61 C62 I97 L98 F112 V132 V139I20-I114 HydrophobicContact CD1-CD1 4.35Å; F53-I114 HydrophobicContact CE1-CD1 4.42Å; F53-I114 HydrophobicContact CZ-CD1 4.46Å; M61-I114 CarbonylContact C-O 3.59Å; M61-I114 VanDerWaalsContact CA-O 3.24Å; M61-I114 WeakPolarHBondContact CA-O 3.47Å; M61-I114 WeakPolarHBondContact CB-O 3.46Å; C62-I114 PolarHBondContact N-O 2.93Å; C62-I114 PolarHBondContact O-N 3.43Å; I97-I114 WeakPolarHBondContact O-CA 3.43Å; L98-I114 HydrophobicContact CD1-CG1 3.88Å; F112-I114 HydrophobicContact CD2-CG1 4.39Å; F112-I114 HydrophobicContact CE2-CD1 4.39Å; F112-I114 HydrophobicContact CE2-CG1 4.17Å; I114-V132 HydrophobicContact CD1-CG2 4.49Å; I114-V132 HydrophobicContact CG2-CG2 3.81Å; I114-V139 HydrophobicContact CB-CG1 4.48Å; I114-V139 HydrophobicContact CD1-CG2 4.27Å; I114-V139 HydrophobicContact CG2-CG1 3.87Å; I114-V139 HydrophobicContact CG2-CG2 4.17Å
115C98.8Very high98.3Very high0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-68.7140.6178.8-58.70000110.6P95 G96 I97 F113 V117 T119P95-C115 CarbonylContact C-O 3.43Å; P95-C115 WeakPolarHBondContact CA-O 3.29Å; G96-C115 PolarHBondContact N-O 3.25Å; I97-C115 HydrophobicContact CB-CB 4.19Å; I97-C115 PolarHBondContact O-N 3.13Å; I97-C115 PolarHBondContact O-SG 3.44Å; F113-C115 VanDerWaalsContact CE2-SG 3.57Å; C115-V117 WeakPolarHBondContact CB-O 3.49Å; C115-T119 PolarHBondContact SG-OG1 3.16Å
116T98.6Very high98.4Very high1 Ų137.8 Ų37.81%0.00620%0.195CC..SBendtrans-109.7-8.4173.858.90000113.2F60 P95 V139 K140 E143F60-T116 VanDerWaalsContact C-OG1 3.26Å; F60-T116 PolarHBondContact N-OG1 2.76Å; F60-T116 PolarHBondContact O-N 3.38Å; F60-T116 VanDerWaalsContact O-N 3.07Å; F60-T116 PolarHBondContact O-OG1 3.45Å; P95-T116 WeakPolarHBondContact CG-O 3.26Å; T116-V139 HydrophobicContact CG2-CG1 4.05Å; T116-K140 PolarHBondContact O-NZ 3.38Å; T116-E143 WeakPolarHBondContact CB-OE1 3.5Å; T116-E143 WeakPolarHBondContact CB-OE2 3.2Å; T116-E143 HydrophobicContact CG2-CB 4.1Å; T116-E143 HydrophobicContact CG2-CG 4.09Å; T116-E143 PolarHBondContact OG1-OE1 2.96Å
117V98.6Very high98.5Very high36 Ų3633.7 Ų33.722%0.21817%0.173CC..SBendtrans-141.5178.8173-60.90000109.6D59 G94 C115 T119D59-V117 HydrophobicContact CB-CG1 4.22Å; D59-V117 WeakPolarHBondContact O-CG2 3.29Å; G94-V117 CarbonylContact C-O 3.6Å; C115-V117 WeakPolarHBondContact CB-O 3.49Å; V117-T119 HydrophobicContact CG2-CG2 3.95Å
118K98.4Very high98.5Very high127 Ų12732.8 Ų32.855%0.55217%0.168SC*.  trans-73.6130.3169.9-172.9-179.7-168-171.30110.3H92 T93 T120 W121H92-K118 WeakPolarHBondContact O-CG 3.21Å; T93-K118 WeakPolarHBondContact O-CG 3.39Å; K118-T120 HydrophobicContact CD-CG2 4.12Å; K118-T120 VanDerWaalsContact CE-CG2 3.4Å; K118-T120 HydrophobicContact CG-CG2 3.97Å; K118-W121 WeakPolarHBondContact O-CZ3 3.41Å
119T97.9Very high98.5Very high0 Ų032.8 Ų32.80%017%0.168CC..  trans-129.449.5-171.754.20000113F60 H92 C115 V117 W121 L122F60-T119 HydrophobicContact CD2-CG2 3.74Å; F60-T119 HydrophobicContact CE2-CG2 3.95Å; H92-T119 VanDerWaalsContact CB-OG1 3.29Å; H92-T119 WeakPolarHBondContact CB-OG1 3.29Å; H92-T119 PolarHBondContact O-N 3.37Å; C115-T119 PolarHBondContact SG-OG1 3.16Å; V117-T119 HydrophobicContact CG2-CG2 3.95Å; T119-W121 HydrophobicContact CG2-CH2 3.88Å; T119-W121 HydrophobicContact CG2-CZ2 3.68Å; T119-W121 PolarHBondContact O-N 3.2Å; T119-L122 WeakPolarHBondContact O-CB 3.34Å; T119-L122 PolarHBondContact O-N 3.44Å
120T97.9Very high98.5Very high65 Ų6532.5 Ų32.540%0.39917%0.165SC..G310 helixtrans-59.6-19.1-172.950.30000115.4K118 L122 D123K118-T120 HydrophobicContact CD-CG2 4.12Å; K118-T120 VanDerWaalsContact CE-CG2 3.4Å; K118-T120 HydrophobicContact CG-CG2 3.97Å; T120-L122 PolarHBondContact O-N 2.66Å; T120-L122 VanDerWaalsContact O-N 3.15Å; T120-D123 WeakPolarHBondContact CA-OD2 3.28Å; T120-D123 VanDerWaalsContact O-CB 3.31Å; T120-D123 WeakPolarHBondContact O-CB 3.41Å; T120-D123 PolarHBondContact O-N 3.22Å; T120-D123 VanDerWaalsContact O-N 3.07Å
121W98.3Very high98.5Very high138 Ų13834.3 Ų34.352%0.52318%0.178SC..G310 helixtrans-66.6-10.7174.65887.1000113.7F60 K118 T119 K125F60-W121 AromaticContact CD2-CZ2 3.81Å; F60-W121 HydrophobicContact CD2-CZ2 3.81Å; F60-W121 AromaticContact CE2-CZ2 3.78Å; F60-W121 HydrophobicContact CE2-CZ2 3.78Å; F60-W121 AromaticContact CE2-NE1 3.79Å; K118-W121 WeakPolarHBondContact O-CZ3 3.41Å; T119-W121 HydrophobicContact CG2-CH2 3.88Å; T119-W121 HydrophobicContact CG2-CZ2 3.68Å; T119-W121 PolarHBondContact O-N 3.2Å; W121-K125 PolarHBondContact O-NZ 3.36Å
122L98.1Very high98.5Very high19 Ų1934 Ų3410%0.09918%0.177CC..G310 helixtrans-93.9-8174-56.2-176.7000113.4F60 H92 F113 T119 T120 K125 H126F60-L122 HydrophobicContact CE2-CD1 4.04Å; F60-L122 HydrophobicContact CZ-CD1 4.37Å; H92-L122 PolarHBondContact CE1-O 3.18Å; F113-L122 HydrophobicContact CE2-CD1 3.79Å; F113-L122 HydrophobicContact CZ-CD1 3.61Å; T119-L122 WeakPolarHBondContact O-CB 3.34Å; T119-L122 PolarHBondContact O-N 3.44Å; T120-L122 PolarHBondContact O-N 2.66Å; T120-L122 VanDerWaalsContact O-N 3.15Å; L122-K125 PolarHBondContact O-N 2.78Å; L122-K125 VanDerWaalsContact O-N 3.11Å; L122-H126 PolarHBondContact O-N 2.65Å
123D98.3Very high98.5Very high51 Ų5136.8 Ų36.827%0.27319%0.194SC..THydrogen-bonded Turntrans-60.2138178.4-67.1-21.7000110.8T91 H92 T120 K125T91-D123 WeakPolarHBondContact CA-OD1 3.48Å; T91-D123 WeakPolarHBondContact CB-OD1 3.48Å; T91-D123 HydrophobicContact CG2-CB 4.48Å; H92-D123 IonicContact CE1-OD1 3.84Å; H92-D123 IonicContact CG-OD1 2.85Å; H92-D123 PolarHBondContact N-OD1 3.44Å; H92-D123 IonicContact ND1-OD1 3.77Å; H92-D123 PolarHBondContact ND1-OD1 3.45Å; T120-D123 WeakPolarHBondContact CA-OD2 3.28Å; T120-D123 VanDerWaalsContact O-CB 3.31Å; T120-D123 WeakPolarHBondContact O-CB 3.41Å; T120-D123 PolarHBondContact O-N 3.22Å; T120-D123 VanDerWaalsContact O-N 3.07Å; D123-K125 PolarHBondContact O-N 2.86Å
124G97.6Very high98.5Very high46 Ų4641.9 Ų41.947%0.47422%0.218SC..THydrogen-bonded Turntrans73.40.9-17600000115.4F88F88-G124 WeakPolarHBondContact CZ-O 3.5Å
125K98.2Very high98.5Very high129 Ų12942.5 Ų42.556%0.56122%0.224SC*.THydrogen-bonded Turntrans-119.3-29.1-179.6-60.6173.9-172.8162.70113.4N102 W121 L122 D123N102-K125 PolarHBondContact ND2-O 3.49Å; W121-K125 PolarHBondContact O-NZ 3.36Å; L122-K125 PolarHBondContact O-N 2.78Å; L122-K125 VanDerWaalsContact O-N 3.11Å; D123-K125 PolarHBondContact O-N 2.86Å
126H98.8Very high98.5Very high30 Ų3045.1 Ų45.114%0.13924%0.237CC..SBendtrans-126.6130-179.9-66-87.5000109.5H92 S99 M100 N102 F113 L122 V128H92-H126 PolarHBondContact CE1-O 3.31Å; S99-H126 WeakPolarHBondContact OG-CB 3.46Å; M100-H126 WeakPolarHBondContact O-CB 3.28Å; M100-H126 PolarHBondContact O-ND1 2.89Å; N102-H126 PolarHBondContact ND2-ND1 3.25Å; N102-H126 PolarHBondContact OD1-CE1 2.86Å; F113-H126 HydrophobicContact CE1-CB 4.21Å; F113-H126 AromaticContact CE1-ND1 3.9Å; F113-H126 HydrophobicContact CZ-CB 4.12Å; L122-H126 PolarHBondContact O-N 2.65Å; H126-V128 PolarHBondContact O-N 3.3Å
127V98.8Very high98.5Very high0 Ų050.7 Ų50.70%027%0.267CS..  trans-74.2112.6-179.8-179.40000109V29 T32 D85 F88 S99 M100V29-V127 HydrophobicContact CB-CG1 4.48Å; V29-V127 HydrophobicContact CG1-CG1 3.88Å; T32-V127 HydrophobicContact CG2-CG1 4.17Å; D85-V127 HydrophobicContact CB-CG2 3.88Å; F88-V127 HydrophobicContact CD1-CG2 4.37Å; F88-V127 HydrophobicContact CE1-CG2 3.94Å; S99-V127 WeakPolarHBondContact CA-O 3.39Å; S99-V127 PolarHBondContact OG-O 2.87Å; M100-V127 HydrophobicContact CB-CB 4.49Å; M100-V127 HydrophobicContact CG-CB 4.38Å; M100-V127 PolarHBondContact N-O 2.99Å
128V98.9Very high98.5Very high7 Ų749.2 Ų49.24%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-75.8128.6168.5172.70000108.7L90 H92 I97 H126L90-V128 HydrophobicContact CB-CB 3.69Å; L90-V128 HydrophobicContact CB-CG1 3.71Å; L90-V128 HydrophobicContact CD1-CG1 4.32Å; H92-V128 WeakPolarHBondContact NE2-CG2 3.35Å; I97-V128 HydrophobicContact CG2-CB 4.39Å; I97-V128 HydrophobicContact CG2-CG1 3.66Å; I97-V128 HydrophobicContact CG2-CG2 3.85Å; H126-V128 PolarHBondContact O-N 3.3Å
129F98.8Very high98.5Very high0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-134.62.7-172.669.4-92.1000115L24 R25 V29 T32 F36 L98 S99 M100 F112L24-F129 HydrophobicContact CD2-CD2 4.18Å; L24-F129 HydrophobicContact CD2-CE2 4.14Å; R25-F129 PolarHBondContact N-O 3.13Å; V29-F129 HydrophobicContact CG2-CB 3.55Å; T32-F129 HydrophobicContact CG2-CB 3.61Å; T32-F129 HydrophobicContact CG2-CD1 3.89Å; T32-F129 HydrophobicContact CG2-CD2 4.48Å; T32-F129 HydrophobicContact CG2-CG 3.76Å; F36-F129 HydrophobicContact CB-CD2 4.28Å; F36-F129 HydrophobicContact CB-CE2 3.59Å; F36-F129 HydrophobicContact CB-CZ 4.22Å; F36-F129 AromaticContact CD1-CE2 3.92Å; F36-F129 HydrophobicContact CD1-CE2 3.92Å; F36-F129 AromaticContact CD2-CE2 3.5Å; F36-F129 HydrophobicContact CD2-CE2 3.5Å; F36-F129 VanDerWaalsContact CD2-CE2 3.5Å; F36-F129 AromaticContact CD2-CZ 3.4Å; F36-F129 HydrophobicContact CD2-CZ 3.4Å; F36-F129 VanDerWaalsContact CD2-CZ 3.4Å; F36-F129 HydrophobicContact CE1-CE2 4.44Å; F36-F129 HydrophobicContact CE2-CE2 4.07Å; F36-F129 AromaticContact CE2-CZ 3.79Å; F36-F129 HydrophobicContact CE2-CZ 3.79Å; F36-F129 HydrophobicContact CG-CD2 4.46Å; F36-F129 AromaticContact CG-CE2 3.39Å; F36-F129 HydrophobicContact CG-CE2 3.39Å; F36-F129 AromaticContact CG-CZ 3.84Å; F36-F129 HydrophobicContact CG-CZ 3.84Å; F36-F129 HydrophobicContact CZ-CE2 4.49Å; L98-F129 HydrophobicContact CD1-CZ 4.03Å; L98-F129 HydrophobicContact CD2-CD2 3.97Å; L98-F129 HydrophobicContact CD2-CE1 4.5Å; L98-F129 HydrophobicContact CD2-CE2 3.22Å; L98-F129 HydrophobicContact CD2-CZ 3.57Å; L98-F129 HydrophobicContact CG-CD2 4.29Å; L98-F129 HydrophobicContact CG-CE1 3.94Å; L98-F129 HydrophobicContact CG-CE2 3.59Å; L98-F129 HydrophobicContact CG-CZ 3.4Å; L98-F129 PolarHBondContact O-N 2.76Å; S99-F129 VanDerWaalsContact C-CE1 3.44Å; M100-F129 HydrophobicContact CG-CD1 3.78Å; M100-F129 HydrophobicContact CG-CE1 3.82Å; M100-F129 HydrophobicContact SD-CD1 3.98Å; M100-F129 HydrophobicContact SD-CE1 3.5Å; M100-F129 WeakPolarHBondContact SD-CE1 3.32Å; M100-F129 HydrophobicContact SD-CZ 4.11Å; F112-F129 HydrophobicContact CB-CE1 4.35Å; F112-F129 HydrophobicContact CB-CZ 4.19Å
130G98.8Very high98.5Very high3 Ų347.3 Ų47.33%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-177.6-173.9178.100000112.9E23 L98E23-G130 WeakPolarHBondContact O-CA 3.48Å; L98-G130 WeakPolarHBondContact CB-O 3.5Å; L98-G130 PolarHBondContact N-O 3.16Å; L98-G130 PolarHBondContact O-N 2.95Å
131S98.8Very high98.6Very high39 Ų3948.7 Ų48.727%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-151.3152.2171.955.40000111.1M22 E23 G96 V133M22-S131 CarbonylContact C-O 3.28Å; M22-S131 WeakPolarHBondContact CA-O 3.5Å; E23-S131 PolarHBondContact N-O 2.87Å; E23-S131 PolarHBondContact O-N 3.27Å; E23-S131 VanDerWaalsContact O-N 3.07Å; G96-S131 CarbonylContact O-C 3.54Å; G96-S131 VanDerWaalsContact O-CA 3.25Å; G96-S131 WeakPolarHBondContact O-CA 3.46Å; S131-V133 PolarHBondContact O-N 3.16Å
132V98.8Very high98.6Very high16 Ų1642.1 Ų42.110%0.09723%0.225CC..EExtended strand (participates in β ladder)trans-64.6128.7167.7-179.20000109.1I20 V21 M22 G96 I114 E134 M136 V139I20-V132 HydrophobicContact CG2-CB 4.49Å; I20-V132 HydrophobicContact CG2-CG1 3.86Å; I20-V132 HydrophobicContact CG2-CG2 3.89Å; V21-V132 CarbonylContact O-C 3.53Å; V21-V132 WeakPolarHBondContact O-CA 3.31Å; M22-V132 HydrophobicContact CG-CG2 4.12Å; G96-V132 PolarHBondContact O-N 3.47Å; I114-V132 HydrophobicContact CD1-CG2 4.49Å; I114-V132 HydrophobicContact CG2-CG2 3.81Å; V132-E134 WeakPolarHBondContact CG1-O 3.46Å; V132-M136 HydrophobicContact CB-CG 4.1Å; V132-M136 HydrophobicContact CB-SD 3.6Å; V132-M136 VanDerWaalsContact CB-SD 3.6Å; V132-M136 HydrophobicContact CG1-CG 3.7Å; V132-M136 HydrophobicContact CG1-SD 3.66Å; V132-M136 HydrophobicContact CG2-SD 3.9Å; V132-V139 HydrophobicContact CG2-CG2 4.28Å
133V98.7Very high98.6Very high57 Ų5741.9 Ų41.935%0.34522%0.224SC..EExtended strand (participates in β ladder)trans-109.1-25.3176.2-65.50000112.3V21 E23 S131V21-V133 HydrophobicContact CB-CG2 3.98Å; V21-V133 HydrophobicContact CG1-CG2 3.63Å; V21-V133 WeakPolarHBondContact O-CG2 3.27Å; V21-V133 PolarHBondContact O-N 3.45Å; E23-V133 HydrophobicContact CB-CG1 3.6Å; E23-V133 HydrophobicContact CB-CG2 4.5Å; S131-V133 PolarHBondContact O-N 3.16Å
134E98.8Very high98.6Very high115 Ų11543.2 Ų43.254%0.53724%0.237SC..EExtended strand (participates in β ladder)trans-143.3149.7172.6-56.5171.2-151.900109.7V21 V132V21-E134 HydrophobicContact CB-CB 3.91Å; V21-E134 HydrophobicContact CB-CG 4.39Å; V21-E134 HydrophobicContact CG2-CB 4Å; V21-E134 PolarHBondContact N-O 3.44Å; V21-E134 PolarHBondContact O-N 2.85Å; V132-E134 WeakPolarHBondContact CG1-O 3.46Å
135G98.6Very high98.7Very high14 Ų1444.1 Ų44.114%0.14423%0.227CC..  trans85.926.7177.500000115.2R19 D137 V138 V139R19-G135 WeakPolarHBondContact O-CA 3.37Å; G135-D137 WeakPolarHBondContact CA-OD1 3.1Å; G135-D137 PolarHBondContact O-N 2.79Å; G135-V138 VanDerWaalsContact O-CB 3.31Å; G135-V138 WeakPolarHBondContact O-CB 3.34Å; G135-V138 PolarHBondContact O-N 2.78Å; G135-V138 VanDerWaalsContact O-N 3.09Å; G135-V139 PolarHBondContact O-N 2.75Å
136M98.7Very high98.7Very high55 Ų5538.2 Ų38.227%0.27120%0.202SC..Hα-helixtrans-64.6-27.2173.2-85.9-55.5-67.600113.2P95 G96 V132 V138 V139 K140P95-M136 HydrophobicContact CB-CE 3.77Å; G96-M136 WeakPolarHBondContact CA-SD 3.49Å; V132-M136 HydrophobicContact CB-CG 4.1Å; V132-M136 HydrophobicContact CB-SD 3.6Å; V132-M136 VanDerWaalsContact CB-SD 3.6Å; V132-M136 HydrophobicContact CG1-CG 3.7Å; V132-M136 HydrophobicContact CG1-SD 3.66Å; V132-M136 HydrophobicContact CG2-SD 3.9Å; M136-V138 VanDerWaalsContact C-N 3.31Å; M136-V139 HydrophobicContact CE-CB 4.44Å; M136-V139 HydrophobicContact CE-CG1 4.43Å; M136-V139 PolarHBondContact O-N 3.3Å; M136-V139 HydrophobicContact SD-CB 4.21Å; M136-V139 HydrophobicContact SD-CG2 4.11Å; M136-K140 WeakPolarHBondContact O-CG 3.33Å; M136-K140 PolarHBondContact O-N 2.61Å
137D98.7Very high98.7Very high118 Ų11838.3 Ų38.363%0.63121%0.205SC*.Hα-helixtrans-62.7-37.2169.762.1-56000111.8G135 K140 K141G135-D137 WeakPolarHBondContact CA-OD1 3.1Å; G135-D137 PolarHBondContact O-N 2.79Å; D137-K140 PolarHBondContact O-N 2.9Å; D137-K141 WeakPolarHBondContact O-CB 3.5Å; D137-K141 PolarHBondContact O-N 2.77Å
138V98.8Very high98.6Very high5 Ų544 Ų443%0.0325%0.245CC..Hα-helixtrans-64.9-43.3173.3-177.60000110.5I10 V17 I20 G135 M136 K141 M142I10-V138 HydrophobicContact CB-CG1 4.16Å; I10-V138 HydrophobicContact CG1-CG1 4.14Å; V17-V138 HydrophobicContact CB-CG1 4.42Å; V17-V138 HydrophobicContact CG1-CG1 3.87Å; I20-V138 HydrophobicContact CD1-CG1 4.11Å; I20-V138 HydrophobicContact CG1-CB 3.9Å; I20-V138 HydrophobicContact CG1-CG1 3.78Å; G135-V138 VanDerWaalsContact O-CB 3.31Å; G135-V138 WeakPolarHBondContact O-CB 3.34Å; G135-V138 PolarHBondContact O-N 2.78Å; G135-V138 VanDerWaalsContact O-N 3.09Å; M136-V138 VanDerWaalsContact C-N 3.31Å; V138-K141 PolarHBondContact O-N 3.34Å; V138-M142 HydrophobicContact CG1-SD 4.44Å; V138-M142 WeakPolarHBondContact O-CG 3.45Å; V138-M142 PolarHBondContact O-N 2.92Å
139V98.8Very high98.5Very high0 Ų048.1 Ų48.10%027%0.274CS..Hα-helixtrans-61.2-44.3174.6178.70000111.1I20 I114 T116 V132 G135 M136 K141 M142 E143I20-V139 HydrophobicContact CD1-CG2 3.68Å; I20-V139 HydrophobicContact CG1-CG2 4.06Å; I20-V139 HydrophobicContact CG2-CG2 4.28Å; I114-V139 HydrophobicContact CB-CG1 4.48Å; I114-V139 HydrophobicContact CD1-CG2 4.27Å; I114-V139 HydrophobicContact CG2-CG1 3.87Å; I114-V139 HydrophobicContact CG2-CG2 4.17Å; T116-V139 HydrophobicContact CG2-CG1 4.05Å; V132-V139 HydrophobicContact CG2-CG2 4.28Å; G135-V139 PolarHBondContact O-N 2.75Å; M136-V139 HydrophobicContact CE-CB 4.44Å; M136-V139 HydrophobicContact CE-CG1 4.43Å; M136-V139 PolarHBondContact O-N 3.3Å; M136-V139 HydrophobicContact SD-CB 4.21Å; M136-V139 HydrophobicContact SD-CG2 4.11Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.88Å; V139-M142 WeakPolarHBondContact O-CB 3.33Å; V139-M142 PolarHBondContact O-N 2.84Å; V139-E143 WeakPolarHBondContact O-CB 3.31Å; V139-E143 PolarHBondContact O-N 3.37Å
140K98.6Very high98.5Very high86 Ų8648.2 Ų48.237%0.37427%0.274SS..Hα-helixtrans-64.5-36.1175.6-73.2-60.2-175.1-179.20112.6T116 M136 D137 E143 S144T116-K140 PolarHBondContact O-NZ 3.38Å; M136-K140 WeakPolarHBondContact O-CG 3.33Å; M136-K140 PolarHBondContact O-N 2.61Å; D137-K140 PolarHBondContact O-N 2.9Å; K140-E143 WeakPolarHBondContact CD-OE2 3.45Å; K140-E143 IonicContact NZ-OE2 2.8Å; K140-E143 PolarHBondContact NZ-OE2 3.09Å; K140-E143 WeakPolarHBondContact O-CB 3.2Å; K140-E143 PolarHBondContact O-N 3.09Å; K140-S144 PolarHBondContact O-N 3.01Å; K140-S144 VanDerWaalsContact O-N 3.14Å
141K98.6Very high98.4Very high94 Ų9455.7 Ų55.741%0.40931%0.306SS..Hα-helixtrans-66.2-41.9172.9-171.5166.1170.5-172.70111.5V17 D137 V138 V139 E143 S144 Y145V17-K141 HydrophobicContact CG1-CB 4.07Å; V17-K141 HydrophobicContact CG1-CD 3.62Å; V17-K141 HydrophobicContact CG1-CG 3.82Å; D137-K141 WeakPolarHBondContact O-CB 3.5Å; D137-K141 PolarHBondContact O-N 2.77Å; V138-K141 PolarHBondContact O-N 3.34Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.88Å; K141-E143 VanDerWaalsContact C-N 3.35Å; K141-S144 WeakPolarHBondContact O-CB 3.44Å; K141-S144 PolarHBondContact O-N 3.18Å; K141-S144 PolarHBondContact O-OG 2.91Å; K141-Y145 HydrophobicContact CG-CE2 4.25Å; K141-Y145 WeakPolarHBondContact O-CD2 3.36Å; K141-Y145 WeakPolarHBondContact O-CE2 3.21Å
142M98.6Very high98.4Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-59.2-45.2172.1-70.9167.858.200112I10 I20 F53 C62 V138 V139 S144 Y145 L156I10-M142 HydrophobicContact CB-SD 4.38Å; I10-M142 HydrophobicContact CD1-SD 4.29Å; I10-M142 HydrophobicContact CG1-SD 3.87Å; I10-M142 HydrophobicContact CG2-CG 3.96Å; I10-M142 HydrophobicContact CG2-SD 3.84Å; I20-M142 HydrophobicContact CD1-SD 3.68Å; F53-M142 HydrophobicContact CB-CE 4.29Å; F53-M142 HydrophobicContact CD1-CE 3.56Å; F53-M142 HydrophobicContact CD2-CE 3.4Å; F53-M142 VanDerWaalsContact CD2-CE 3.4Å; F53-M142 HydrophobicContact CE1-CE 3.6Å; F53-M142 HydrophobicContact CE2-CE 3.46Å; F53-M142 VanDerWaalsContact CE2-CE 3.46Å; F53-M142 HydrophobicContact CG-CE 3.46Å; F53-M142 VanDerWaalsContact CG-CE 3.46Å; F53-M142 HydrophobicContact CZ-CE 3.56Å; C62-M142 HydrophobicContact CB-CE 4.26Å; V138-M142 HydrophobicContact CG1-SD 4.44Å; V138-M142 WeakPolarHBondContact O-CG 3.45Å; V138-M142 PolarHBondContact O-N 2.92Å; V139-M142 WeakPolarHBondContact O-CB 3.33Å; V139-M142 PolarHBondContact O-N 2.84Å; M142-S144 PolarHBondContact O-N 3.09Å; M142-Y145 WeakPolarHBondContact O-CB 3.5Å; M142-Y145 PolarHBondContact O-N 2.89Å; M142-L156 HydrophobicContact CB-CD1 4.05Å; M142-L156 HydrophobicContact CG-CD1 4.31Å; M142-L156 HydrophobicContact CG-CD2 4.44Å
143E98.6Very high98.4Very high15 Ų1561.6 Ų61.67%0.0733%0.328CS..Hα-helixtrans-55.1-38.7176.8-177.5175.6-144.500112.1P58 D59 T116 V139 K140 K141 Y145 G146P58-E143 HydrophobicContact CB-CG 4.28Å; D59-E143 PolarHBondContact N-OE1 2.79Å; T116-E143 WeakPolarHBondContact CB-OE1 3.5Å; T116-E143 WeakPolarHBondContact CB-OE2 3.2Å; T116-E143 HydrophobicContact CG2-CB 4.1Å; T116-E143 HydrophobicContact CG2-CG 4.09Å; T116-E143 PolarHBondContact OG1-OE1 2.96Å; V139-E143 WeakPolarHBondContact O-CB 3.31Å; V139-E143 PolarHBondContact O-N 3.37Å; K140-E143 WeakPolarHBondContact CD-OE2 3.45Å; K140-E143 IonicContact NZ-OE2 2.8Å; K140-E143 PolarHBondContact NZ-OE2 3.09Å; K140-E143 WeakPolarHBondContact O-CB 3.2Å; K140-E143 PolarHBondContact O-N 3.09Å; K141-E143 VanDerWaalsContact C-N 3.35Å; E143-Y145 PolarHBondContact O-N 2.76Å; E143-Y145 VanDerWaalsContact O-N 3.15Å; E143-G146 WeakPolarHBondContact O-CA 3.12Å; E143-G146 PolarHBondContact O-N 3.1Å
144S98.5Very high98.3Very high79 Ų7959.2 Ų59.255%0.55231%0.314SS*.Hα-helixtrans-62-22178.881.20000114.3K140 K141 M142 G146K140-S144 PolarHBondContact O-N 3.01Å; K140-S144 VanDerWaalsContact O-N 3.14Å; K141-S144 WeakPolarHBondContact O-CB 3.44Å; K141-S144 PolarHBondContact O-N 3.18Å; K141-S144 PolarHBondContact O-OG 2.91Å; M142-S144 PolarHBondContact O-N 3.09Å; S144-G146 VanDerWaalsContact C-N 3.32Å
145Y98.4Very high98.3Very high65 Ų6560.6 Ų60.626%0.25532%0.318SS..THydrogen-bonded Turntrans-84-7.1173-63-77.4000112.9A12 K141 M142 E143 P152 K153 A154 L156A12-Y145 HydrophobicContact CB-CE2 4.01Å; K141-Y145 HydrophobicContact CG-CE2 4.25Å; K141-Y145 WeakPolarHBondContact O-CD2 3.36Å; K141-Y145 WeakPolarHBondContact O-CE2 3.21Å; M142-Y145 WeakPolarHBondContact O-CB 3.5Å; M142-Y145 PolarHBondContact O-N 2.89Å; E143-Y145 PolarHBondContact O-N 2.76Å; E143-Y145 VanDerWaalsContact O-N 3.15Å; Y145-P152 CarbonylContact O-C 3.44Å; Y145-P152 WeakPolarHBondContact O-CA 3.37Å; Y145-K153 WeakPolarHBondContact O-CG 3.2Å; Y145-K153 PolarHBondContact O-N 2.82Å; Y145-A154 HydrophobicContact CD1-CB 3.42Å; Y145-A154 VanDerWaalsContact CD1-CB 3.42Å; Y145-A154 HydrophobicContact CE1-CB 3.8Å; Y145-A154 HydrophobicContact CG-CB 3.95Å; Y145-L156 HydrophobicContact CD2-CD2 3.8Å; Y145-L156 HydrophobicContact CE2-CD2 4.3Å; Y145-L156 HydrophobicContact CG-CD2 4.26Å
146G98.3Very high98.3Very high4 Ų460 Ų604%0.04131%0.312CS..  trans-67.3168.2179.600000114.1V56 E143 S144V56-G146 WeakPolarHBondContact O-CA 3.42Å; E143-G146 WeakPolarHBondContact O-CA 3.12Å; E143-G146 PolarHBondContact O-N 3.1Å; S144-G146 VanDerWaalsContact C-N 3.32Å
147T98.5Very high98.3Very high33 Ų3358.4 Ų58.420%0.20231%0.305CS..  trans-138.2164.7172.163.10000109.6V56 P58 S149 G150 K151 K153V56-T147 PolarHBondContact O-N 3.17Å; V56-T147 VanDerWaalsContact O-N 3.16Å; P58-T147 WeakPolarHBondContact CD-O 3.46Å; T147-S149 PolarHBondContact O-N 2.94Å; T147-S149 PolarHBondContact OG1-OG 3.12Å; T147-S149 VanDerWaalsContact OG1-OG 3.14Å; T147-G150 WeakPolarHBondContact O-CA 3.39Å; T147-G150 PolarHBondContact O-N 2.98Å; T147-G150 PolarHBondContact OG1-N 3.47Å; T147-K151 WeakPolarHBondContact CB-O 3.28Å; T147-K151 WeakPolarHBondContact CG2-O 3.4Å; T147-K151 PolarHBondContact OG1-N 2.93Å; T147-K151 PolarHBondContact OG1-O 3.17Å; T147-K153 HydrophobicContact CG2-CD 4.45Å; T147-K153 HydrophobicContact CG2-CG 3.82Å
148S97.3Very high98.3Very high120 Ų12052.8 Ų52.884%0.83928%0.275SS*.THydrogen-bonded Turntrans-62.7-29.1176.553.20000113.3G150S148-G150 PolarHBondContact O-N 2.87Å
149S97.3Very high98.3Very high93 Ų9354.6 Ų54.665%0.6529%0.291SS*.THydrogen-bonded Turntrans-77.6-9.7172.967.10000113.1T147 K151T147-S149 PolarHBondContact O-N 2.94Å; T147-S149 PolarHBondContact OG1-OG 3.12Å; T147-S149 VanDerWaalsContact OG1-OG 3.14Å; S149-K151 VanDerWaalsContact C-N 3.31Å; S149-K151 PolarHBondContact O-N 2.78Å
150G97.8Very high98.3Very high1 Ų157.3 Ų57.31%0.0131%0.305CS..SBendtrans86.1-14-176.900000114.4R55 V56 I57 T147 S148 P152R55-G150 CarbonylContact C-O 3.59Å; R55-G150 VanDerWaalsContact CA-O 3.22Å; R55-G150 WeakPolarHBondContact CA-O 3.46Å; V56-G150 PolarHBondContact N-O 3.43Å; V56-G150 CarbonylContact O-C 3.55Å; V56-G150 WeakPolarHBondContact O-CA 3.18Å; I57-G150 VanDerWaalsContact CG1-CA 3.44Å; T147-G150 WeakPolarHBondContact O-CA 3.39Å; T147-G150 PolarHBondContact O-N 2.98Å; T147-G150 PolarHBondContact OG1-N 3.47Å; S148-G150 PolarHBondContact O-N 2.87Å; G150-P152 WeakPolarHBondContact O-CD 3.17Å
151K97.8Very high98.3Very high161 Ų16153.9 Ų53.970%0.729%0.292SS*.  trans-71118.8178.1-175.7174.9178.8178.90110T147 S149T147-K151 WeakPolarHBondContact CB-O 3.28Å; T147-K151 WeakPolarHBondContact CG2-O 3.4Å; T147-K151 PolarHBondContact OG1-N 2.93Å; T147-K151 PolarHBondContact OG1-O 3.17Å; S149-K151 VanDerWaalsContact C-N 3.31Å; S149-K151 PolarHBondContact O-N 2.78Å
152P98Very high98.3Very high23 Ų2349.8 Ų49.815%0.14928%0.277CS..  trans-68.1146.9-179.7-21.135000112.5H54 V56 Y145 G150 A154 L156H54-P152 WeakPolarHBondContact O-CD 3.12Å; V56-P152 HydrophobicContact CB-CG 4.13Å; V56-P152 HydrophobicContact CG2-CG 3.93Å; Y145-P152 CarbonylContact O-C 3.44Å; Y145-P152 WeakPolarHBondContact O-CA 3.37Å; G150-P152 WeakPolarHBondContact O-CD 3.17Å; P152-A154 VanDerWaalsContact C-N 3.29Å; P152-A154 WeakPolarHBondContact CB-O 3.43Å; P152-L156 HydrophobicContact CB-CD1 4.44Å
153K98.3Very high98.3Very high156 Ų15654 Ų5468%0.67830%0.297SS*.SBendtrans-73.9-19.7174.9-60.4175.1-169.9169.80112.9Y145 T147Y145-K153 WeakPolarHBondContact O-CG 3.2Å; Y145-K153 PolarHBondContact O-N 2.82Å; T147-K153 HydrophobicContact CG2-CD 4.45Å; T147-K153 HydrophobicContact CG2-CG 3.82Å
154A98Very high98.2Very high7 Ų759.6 Ų59.66%0.05833%0.326CS..SBendtrans-127.9151.3176.900000110.2A12 Y145 P152 L156A12-A154 HydrophobicContact CB-CB 4.32Å; Y145-A154 HydrophobicContact CD1-CB 3.42Å; Y145-A154 VanDerWaalsContact CD1-CB 3.42Å; Y145-A154 HydrophobicContact CE1-CB 3.8Å; Y145-A154 HydrophobicContact CG-CB 3.95Å; P152-A154 VanDerWaalsContact C-N 3.29Å; P152-A154 WeakPolarHBondContact CB-O 3.43Å; A154-L156 PolarHBondContact O-N 2.93Å
155K98.4Very high98.2Very high143 Ų14358.6 Ų58.662%0.62232%0.315SS*.  trans-74.499.3173.4-168.2-175.3179179.10109A12 N13 V157A12-K155 WeakPolarHBondContact CA-O 3.45Å; N13-K155 PolarHBondContact N-O 3.38Å; N13-K155 PolarHBondContact OD1-N 3.25Å; K155-V157 HydrophobicContact CD-CG2 4.11Å; K155-V157 HydrophobicContact CG-CG2 3.8Å
156L98.8Very high98.2Very high1 Ų158.3 Ų58.31%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-86116176.5-61.5178.6000109.8T11 A12 S52 F53 V56 M142 Y145 P152 A154T11-L156 WeakPolarHBondContact O-CA 3.06Å; A12-L156 HydrophobicContact CB-CD2 3.78Å; S52-L156 CarbonylContact C-O 3.5Å; S52-L156 WeakPolarHBondContact CA-O 3.3Å; S52-L156 VanDerWaalsContact CB-O 3.22Å; S52-L156 WeakPolarHBondContact CB-O 3.25Å; F53-L156 HydrophobicContact CB-CB 3.99Å; F53-L156 HydrophobicContact CB-CD1 4.33Å; F53-L156 PolarHBondContact N-O 3.06Å; V56-L156 HydrophobicContact CG2-CD1 3.88Å; M142-L156 HydrophobicContact CB-CD1 4.05Å; M142-L156 HydrophobicContact CG-CD1 4.31Å; M142-L156 HydrophobicContact CG-CD2 4.44Å; Y145-L156 HydrophobicContact CD2-CD2 3.8Å; Y145-L156 HydrophobicContact CE2-CD2 4.3Å; Y145-L156 HydrophobicContact CG-CD2 4.26Å; P152-L156 HydrophobicContact CB-CD1 4.44Å; A154-L156 PolarHBondContact O-N 2.93Å
157V98.8Very high98.2Very high22 Ų2261.3 Ų61.313%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-126.2138.7-173.9-178.30000110.5I10 T11 S51 K155 A159I10-V157 WeakPolarHBondContact CA-O 3.47Å; T11-V157 PolarHBondContact N-O 3.31Å; T11-V157 PolarHBondContact O-N 2.9Å; T11-V157 PolarHBondContact OG1-O 2.92Å; S51-V157 WeakPolarHBondContact O-CA 3.39Å; K155-V157 HydrophobicContact CD-CG2 4.11Å; K155-V157 HydrophobicContact CG-CG2 3.8Å; V157-A159 PolarHBondContact O-N 3.24Å
158I98.9Very high98.2Very high0 Ų062.9 Ų62.90%034%0.341CS..EExtended strand (participates in β ladder)trans-76.293.3165.4-57.5174000106.8F8 D9 I10 G50 S51 F53 F112 D160 C161F8-I158 HydrophobicContact CB-CG2 4.2Å; F8-I158 HydrophobicContact CD1-CD1 4.16Å; F8-I158 HydrophobicContact CD1-CG2 3.67Å; F8-I158 HydrophobicContact CD2-CD1 4.13Å; F8-I158 HydrophobicContact CE1-CD1 4.04Å; F8-I158 HydrophobicContact CE1-CG2 4.26Å; F8-I158 HydrophobicContact CE2-CD1 4.02Å; F8-I158 HydrophobicContact CG-CD1 4.21Å; F8-I158 HydrophobicContact CG-CG1 4.35Å; F8-I158 HydrophobicContact CG-CG2 4.07Å; F8-I158 HydrophobicContact CZ-CD1 3.97Å; D9-I158 CarbonylContact O-C 3.58Å; I10-I158 HydrophobicContact CD1-CG1 4.05Å; G50-I158 WeakPolarHBondContact CA-O 3.32Å; G50-I158 PolarHBondContact N-O 2.89Å; S51-I158 PolarHBondContact O-N 3.01Å; F53-I158 HydrophobicContact CD2-CG1 4.33Å; F53-I158 HydrophobicContact CE2-CD1 3.99Å; F53-I158 HydrophobicContact CE2-CG1 3.69Å; F53-I158 HydrophobicContact CZ-CD1 4.47Å; F112-I158 HydrophobicContact CZ-CD1 4.36Å; I158-D160 WeakPolarHBondContact CG2-O 3.3Å; I158-C161 HydrophobicContact CG2-CB 3.81Å
159A98.8Very high98.3Very high44 Ų4459.4 Ų59.436%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-69-38.6-177.200000111.8D9 T11 V157D9-A159 PolarHBondContact O-N 3.38Å; T11-A159 HydrophobicContact CG2-CB 3.67Å; V157-A159 PolarHBondContact O-N 3.24Å
160D98.8Very high98.3Very high56 Ų5657.1 Ų57.130%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-145.9157.5171.2-151.916.4000111.2D9 K49 I158D9-D160 HydrophobicContact CB-CB 4.18Å; D9-D160 PolarHBondContact N-O 3.06Å; K49-D160 WeakPolarHBondContact CD-OD1 3.44Å; K49-D160 VanDerWaalsContact CE-OD1 3.25Å; K49-D160 WeakPolarHBondContact CE-OD1 3.43Å; K49-D160 IonicContact NZ-OD1 2.9Å; K49-D160 PolarHBondContact NZ-OD1 3.36Å; K49-D160 IonicContact NZ-OD2 3.27Å; I158-D160 WeakPolarHBondContact CG2-O 3.3Å
161C98.8Very high98.4Very high14 Ų1461.1 Ų61.110%0.09531%0.307CS..EExtended strand (participates in β ladder)trans-157.6156.617959.90000111.4F7 F8 C40 K49 I158F7-C161 VanDerWaalsContact O-CA 3.25Å; F7-C161 WeakPolarHBondContact O-CA 3.08Å; F7-C161 WeakPolarHBondContact O-CB 3.41Å; F8-C161 HydrophobicContact CD1-CB 3.47Å; F8-C161 VanDerWaalsContact CD1-CB 3.47Å; F8-C161 HydrophobicContact CE1-CB 3.82Å; C40-C161 CarbonylContact O-C 3.38Å; C40-C161 VanDerWaalsContact O-C 3.28Å; C40-C161 PolarHBondContact O-SG 2.89Å; K49-C161 PolarHBondContact N-SG 3.36Å; I158-C161 HydrophobicContact CG2-CB 3.81Å
162G98.7Very high98.4Very high9 Ų953.5 Ų53.59%0.09328%0.277CS..EExtended strand (participates in β ladder)trans179.1-171.5179.900000112.8V6 F7 C40V6-G162 CarbonylContact C-O 3.59Å; V6-G162 WeakPolarHBondContact CA-O 3.46Å; V6-G162 VanDerWaalsContact CB-O 3.28Å; V6-G162 WeakPolarHBondContact CB-O 3.4Å; F7-G162 WeakPolarHBondContact CD1-O 3.36Å; F7-G162 VanDerWaalsContact CE1-CA 3.48Å; F7-G162 PolarHBondContact N-O 3.35Å; F7-G162 PolarHBondContact O-N 2.85Å; C40-G162 PolarHBondContact O-N 2.72Å
163Q98.5Very high98.4Very high88 Ų8856 Ų5641%0.41129%0.287SS..EExtended strand (participates in β ladder)trans-100.8144.8173.4-175.7175.7-11.200109.8R5 V6 R37 T41R5-Q163 WeakPolarHBondContact O-CA 3.4Å; R5-Q163 WeakPolarHBondContact O-CG 3.26Å; V6-Q163 HydrophobicContact CG1-CB 4.38Å; R37-Q163 VanDerWaalsContact CD-OE1 3.31Å; T41-Q163 HydrophobicContact CG2-CB 3.79Å
164L96.5Very high98.4Very high132 Ų13246.9 Ų46.969%0.69125%0.252SS*.  trans-94.40174.1-60.8178.3000111.6R5 F7 V21R5-L164 HydrophobicContact CB-CB 4.23Å; R5-L164 HydrophobicContact CB-CD1 4.35Å; R5-L164 PolarHBondContact O-N 3.32Å; F7-L164 HydrophobicContact CD1-CD2 3.61Å; F7-L164 HydrophobicContact CD1-CG 4.08Å; F7-L164 HydrophobicContact CE1-CD2 4.24Å; F7-L164 HydrophobicContact CG-CD2 4.35Å; V21-L164 HydrophobicContact CB-CD1 4.45Å; V21-L164 HydrophobicContact CG1-CD1 3.49Å; V21-L164 VanDerWaalsContact CG1-CD1 3.49Å; V21-L164 HydrophobicContact CG2-CD1 4.08Å

Retrieved 164 of 164 residues in 41.3 ms (Link to these results)

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