A0A087XNP3_POEFO Loading...

KRIT1 ankyrin repeat containing

AlphaFold DB , UniProt , Accession A0A087XNP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 739 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
1M34.3Very low60.5Low249 Ų24990.4 Ų90.4100%1.22752%0.524SS*.  099.80-64-170.9-165.700106.8
2G33.5Very low62.9Low74 Ų7482.8 Ų82.876%0.76348%0.48SS*.  trans-83.3127.3-179.500000110E4G2-E4 VanDerWaalsContact C-N 3.34Å; G2-E4 PolarHBondContact O-N 3.1Å; G2-E4 VanDerWaalsContact O-N 3.07Å
3N32.9Very low65.1Low172 Ų17276.5 Ų76.592%0.9244%0.444SS*.  trans-73.191.5165.2-90.8-8.5000108.2D5N3-D5 PolarHBondContact O-N 3.14Å
4E47.6Very low66.8Low171 Ų17171.1 Ų71.180%0.79941%0.412SS*.  trans-77.695.1154.1-73-164.6160.900108G2G2-E4 VanDerWaalsContact C-N 3.34Å; G2-E4 PolarHBondContact O-N 3.1Å; G2-E4 VanDerWaalsContact O-N 3.07Å
5D51.5Low68.2Low131 Ų13166.5 Ų66.570%0.70139%0.386SS*.  trans-159.667.6158.5-118.9-8.1000111.8N3 S7N3-D5 PolarHBondContact O-N 3.14Å; D5-S7 PolarHBondContact OD1-OG 2.91Å
6G57Low69.3Low62 Ų6266.5 Ų66.564%0.63938%0.377SS*.  trans-96.215.7167.600000113.3
7S66.4Low70.2Confident38 Ų3862.7 Ų62.727%0.26636%0.356SS..PPolyproline II helixtrans-81.7128.6-177.565.30000111.6D5 I58D5-S7 PolarHBondContact OD1-OG 2.91Å; S7-I58 WeakPolarHBondContact CA-O 3.37Å
8E79.8Confident70.8Confident36 Ų3662.9 Ų62.917%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-92.9136.8177-174.8179.8-17000110.4V10 K57 I58 K63 S107E8-V10 PolarHBondContact O-N 2.95Å; E8-K57 WeakPolarHBondContact O-CA 3.46Å; E8-I58 PolarHBondContact N-O 2.87Å; E8-I58 VanDerWaalsContact N-O 3.16Å; E8-I58 PolarHBondContact O-N 2.94Å; E8-I58 VanDerWaalsContact O-N 3.14Å; E8-K63 IonicContact OE2-NZ 3.2Å; E8-K63 PolarHBondContact OE2-NZ 3.07Å; E8-S107 WeakPolarHBondContact OE1-CB 3.2Å; E8-S107 PolarHBondContact OE1-OG 3.44Å
9D84.9Confident71Confident30 Ų3065.2 Ų65.216%0.1636%0.363CS..EExtended strand (participates in β ladder)trans-73.4121.6172.3-72.9-33.9000109.8K57 A106 S107D9-K57 WeakPolarHBondContact OD1-CE 3.08Å; D9-K57 VanDerWaalsContact OD1-CG 3.3Å; D9-K57 WeakPolarHBondContact OD1-CG 3.48Å; D9-A106 HydrophobicContact CB-CB 4.19Å; D9-A106 WeakPolarHBondContact O-CA 3.12Å; D9-S107 PolarHBondContact O-N 2.99Å
10V86.9Confident70.7Confident0 Ų069.4 Ų69.40%038%0.38CS..EExtended strand (participates in β ladder)trans-120.6122-173.8170.90000110E8 V12 V55 T56 I58 I67 F109E8-V10 PolarHBondContact O-N 2.95Å; V10-V12 HydrophobicContact CG1-CG2 4.01Å; V10-V55 WeakPolarHBondContact O-CA 3.46Å; V10-T56 HydrophobicContact CB-CG2 4.24Å; V10-T56 HydrophobicContact CG1-CG2 4.37Å; V10-T56 PolarHBondContact N-O 2.77Å; V10-T56 PolarHBondContact O-N 3.37Å; V10-I58 HydrophobicContact CB-CD1 4.2Å; V10-I58 HydrophobicContact CB-CG1 4.41Å; V10-I58 HydrophobicContact CG1-CD1 4.14Å; V10-I58 HydrophobicContact CG2-CB 4.32Å; V10-I58 HydrophobicContact CG2-CD1 4.05Å; V10-I58 HydrophobicContact CG2-CG1 4.17Å; V10-I67 HydrophobicContact CG1-CD1 4.12Å; V10-I67 HydrophobicContact CG1-CG1 4.21Å; V10-F109 HydrophobicContact CG1-CD2 3.52Å; V10-F109 HydrophobicContact CG1-CE2 3.78Å; V10-F109 HydrophobicContact CG2-CE2 4.03Å
11Y90.7Very high70.3Confident31 Ų3171.4 Ų71.412%0.12239%0.394CS..EExtended strand (participates in β ladder)trans-101.3134.8174.7-70.4-105.1000109.5L53 L54 V55 L97 A106 S107 L108 F109 V150 M154Y11-L53 HydrophobicContact CD1-CB 4.33Å; Y11-L54 CarbonylContact C-O 3.6Å; Y11-L54 WeakPolarHBondContact CA-O 3.31Å; Y11-V55 HydrophobicContact CD1-CG2 3.46Å; Y11-V55 VanDerWaalsContact CD1-CG2 3.46Å; Y11-V55 HydrophobicContact CE1-CB 4.42Å; Y11-V55 HydrophobicContact CE1-CG1 4.22Å; Y11-V55 HydrophobicContact CE1-CG2 3.32Å; Y11-V55 HydrophobicContact CE2-CG1 4.22Å; Y11-V55 HydrophobicContact CG-CG2 4.22Å; Y11-L97 HydrophobicContact CE2-CD2 4.33Å; Y11-A106 HydrophobicContact CD2-CB 3.8Å; Y11-A106 HydrophobicContact CE2-CB 3.61Å; Y11-S107 PolarHBondContact N-O 3.26Å; Y11-L108 WeakPolarHBondContact O-CA 3.49Å; Y11-F109 PolarHBondContact O-N 3.49Å; Y11-V150 HydrophobicContact CE1-CG1 3.99Å; Y11-M154 VanDerWaalsContact CB-SD 3.57Å; Y11-M154 HydrophobicContact CD1-CE 4.11Å; Y11-M154 HydrophobicContact CD1-SD 3.58Å; Y11-M154 VanDerWaalsContact CD1-SD 3.58Å; Y11-M154 HydrophobicContact CD2-CE 3.57Å; Y11-M154 HydrophobicContact CD2-SD 4.08Å; Y11-M154 HydrophobicContact CE1-SD 4.28Å; Y11-M154 HydrophobicContact CE2-CE 4.01Å; Y11-M154 HydrophobicContact CG-CE 3.62Å; Y11-M154 HydrophobicContact CG-SD 3.46Å
12V89.9Confident71.8Confident0 Ų060.5 Ų60.50%034%0.343CS..EExtended strand (participates in β ladder)trans-121.9117.2-174.5-171.20000110.4V10 V14 L54 I67 V71 F109 V111V10-V12 HydrophobicContact CG1-CG2 4.01Å; V12-V14 HydrophobicContact CG1-CG2 4.1Å; V12-L54 HydrophobicContact CB-CB 4.3Å; V12-L54 PolarHBondContact N-O 2.98Å; V12-I67 HydrophobicContact CG1-CG2 4.19Å; V12-I67 HydrophobicContact CG2-CG2 4.01Å; V12-V71 HydrophobicContact CG1-CG2 3.76Å; V12-F109 WeakPolarHBondContact CA-O 3.34Å; V12-V111 HydrophobicContact CG1-CB 4.23Å; V12-V111 HydrophobicContact CG1-CG2 3.55Å
13A90.5Very high73.4Confident1 Ų158.7 Ų58.71%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-95.2101.6170.800000109.7I15 I35 L53 L108 F109 V110 V111 L158A13-I15 PolarHBondContact O-N 2.76Å; A13-I35 HydrophobicContact CB-CD1 4.22Å; A13-L53 HydrophobicContact CB-CD2 4.09Å; A13-L108 HydrophobicContact CB-CD1 4.22Å; A13-F109 PolarHBondContact N-O 2.94Å; A13-V110 HydrophobicContact CB-CG2 4.48Å; A13-V110 WeakPolarHBondContact O-CA 3.4Å; A13-V111 PolarHBondContact O-N 3.24Å; A13-L158 HydrophobicContact CB-CD2 3.84Å
14V89Confident75Confident0 Ų056 Ų560%031%0.305CS..EExtended strand (participates in β ladder)trans-85.9112.3173.5-173.10000108.4V12 I35 L36 L54 V71 I75 V111 V113 F130V12-V14 HydrophobicContact CG1-CG2 4.1Å; V14-I35 WeakPolarHBondContact O-CA 2.96Å; V14-L36 HydrophobicContact CB-CB 3.82Å; V14-L36 HydrophobicContact CB-CD2 4.15Å; V14-L36 HydrophobicContact CG1-CB 4.45Å; V14-L36 HydrophobicContact CG1-CD2 4.49Å; V14-L36 HydrophobicContact CG2-CD2 4.13Å; V14-L36 PolarHBondContact O-N 2.92Å; V14-L54 HydrophobicContact CG2-CD1 4.15Å; V14-V71 HydrophobicContact CG2-CG1 4Å; V14-V71 HydrophobicContact CG2-CG2 4.15Å; V14-I75 HydrophobicContact CG1-CD1 4.38Å; V14-V111 WeakPolarHBondContact CA-O 3.43Å; V14-V111 HydrophobicContact CG2-CB 4.3Å; V14-V113 HydrophobicContact CG1-CG1 3.67Å; V14-V113 HydrophobicContact CG1-CG2 4.06Å; V14-F130 HydrophobicContact CG1-CE1 4.38Å; V14-F130 HydrophobicContact CG1-CZ 4.15Å
15I88.6Confident76.1Confident3 Ų350 Ų502%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-115.2144-175.763.6171.4000111.1A13 E34 I35 V110 V111 P112 V113 L158 L162 L175 F176A13-I15 PolarHBondContact O-N 2.76Å; I15-E34 WeakPolarHBondContact CA-O 3.49Å; I15-I35 HydrophobicContact CG2-CD1 4.29Å; I15-I35 HydrophobicContact CG2-CG1 4.35Å; I15-V110 HydrophobicContact CD1-CG1 3.45Å; I15-V110 VanDerWaalsContact CD1-CG1 3.45Å; I15-V110 HydrophobicContact CG1-CG1 3.72Å; I15-V111 PolarHBondContact N-O 2.81Å; I15-P112 HydrophobicContact CG1-CB 4.47Å; I15-P112 WeakPolarHBondContact O-CA 3.38Å; I15-V113 PolarHBondContact O-N 3.08Å; I15-L158 HydrophobicContact CG2-CD2 3.99Å; I15-L162 HydrophobicContact CD1-CD2 4.02Å; I15-L175 HydrophobicContact CD1-CD2 4.07Å; I15-F176 HydrophobicContact CD1-CE1 4.47Å; I15-F176 HydrophobicContact CD1-CZ 3.88Å; I15-F176 HydrophobicContact CG1-CE1 4.19Å; I15-F176 HydrophobicContact CG1-CZ 4.07Å
16R85.3Confident76.8Confident66 Ų6652.9 Ų52.925%0.24929%0.289CS..EExtended strand (participates in β ladder)trans-139.1148.6171.471.3-176.8-174-177.12.4111.5Y33 E34 V113 F130R16-Y33 CarbonylContact O-C 3.59Å; R16-Y33 WeakPolarHBondContact O-CA 3.48Å; R16-E34 HydrophobicContact CG-CB 3.93Å; R16-E34 IonicContact CZ-OE2 3.88Å; R16-E34 PolarHBondContact N-O 3.46Å; R16-E34 IonicContact NE-OE2 2.84Å; R16-E34 PolarHBondContact NE-OE2 3.16Å; R16-E34 IonicContact NH2-OE2 2.99Å; R16-E34 PolarHBondContact NH2-OE2 3.02Å; R16-E34 PolarHBondContact O-N 3.42Å; R16-V113 HydrophobicContact CB-CG2 3.58Å; R16-V113 WeakPolarHBondContact CB-O 3.43Å; R16-V113 HydrophobicContact CG-CG2 4.47Å; R16-F130 HydrophobicContact CB-CE1 4.4Å; R16-F130 HydrophobicContact CG-CD1 3.97Å; R16-F130 HydrophobicContact CG-CE1 3.82Å; R16-F130 HydrophobicContact CG-CZ 4.42Å; R16-F130 VanDerWaalsContact CZ-CD2 3.42Å
17P85.5Confident77.9Confident2 Ų255.7 Ų55.71%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-74.5154.1170.523.1-13.1000109.3L23 A32 V115 F176P17-L23 HydrophobicContact CB-CD2 4.16Å; P17-L23 HydrophobicContact CB-CG 4.35Å; P17-L23 HydrophobicContact CG-CD1 4.28Å; P17-L23 HydrophobicContact CG-CD2 3.82Å; P17-L23 HydrophobicContact CG-CG 4.09Å; P17-A32 CarbonylContact C-O 3.51Å; P17-A32 WeakPolarHBondContact CA-O 3.35Å; P17-V115 HydrophobicContact CB-CG2 4.22Å; P17-V115 HydrophobicContact CG-CG2 3.58Å; P17-V115 WeakPolarHBondContact O-CG2 3.49Å; P17-F176 HydrophobicContact CG-CD1 4.1Å; P17-F176 HydrophobicContact CG-CE1 4.18Å; P17-F176 HydrophobicContact CG-CG 4.38Å; P17-F176 HydrophobicContact CG-CZ 4.5Å
18K79.8Confident78.9Confident67 Ų6756.4 Ų56.429%0.29128%0.282SS..SBendtrans-73.5-45.2172.1-74-165.9-178178.20111.8K31 A32 E34 C132K18-K31 VanDerWaalsContact CD-O 3.28Å; K18-K31 WeakPolarHBondContact CD-O 3.35Å; K18-K31 WeakPolarHBondContact CE-O 3.46Å; K18-A32 PolarHBondContact N-O 2.93Å; K18-E34 HydrophobicContact CD-CG 4.23Å; K18-E34 HydrophobicContact CG-CG 3.62Å; K18-C132 PolarHBondContact NZ-SG 3.24Å
19N74.4Confident79.2Confident105 Ų10560.6 Ų60.656%0.56130%0.297SS*.SBendtrans-134153.2-175.9-62.68.3000109.7V21 S22N19-V21 PolarHBondContact O-N 2.93Å; N19-S22 WeakPolarHBondContact O-CB 3.25Å; N19-S22 PolarHBondContact O-N 3.32Å; N19-S22 PolarHBondContact O-OG 2.97Å
20Q66.6Low79.3Confident150 Ų15060 Ų6070%0.70130%0.295SS*.G310 helixtrans-59.7-30.9176.3-73.5-176.8-12.600113.1S22 L23Q20-S22 PolarHBondContact O-N 3.45Å; Q20-L23 WeakPolarHBondContact O-CB 3.15Å; Q20-L23 PolarHBondContact O-N 3.06Å
21V61.8Low79.3Confident112 Ų11264.8 Ų64.868%0.67932%0.316SS*.G310 helixtrans-60.2-27.9176.7-176.20000112.2N19 L23 T24N19-V21 PolarHBondContact O-N 2.93Å; V21-L23 PolarHBondContact O-N 3.01Å; V21-T24 PolarHBondContact O-N 2.95Å; V21-T24 PolarHBondContact O-OG1 2.96Å
22S66.3Low79.1Confident20 Ų2064 Ų6414%0.1432%0.316CS..G310 helixtrans-64-25.2176.5-60.30000113.1N19 Q20N19-S22 WeakPolarHBondContact O-CB 3.25Å; N19-S22 PolarHBondContact O-N 3.32Å; N19-S22 PolarHBondContact O-OG 2.97Å; Q20-S22 PolarHBondContact O-N 3.45Å
23L66.5Low79.1Confident36 Ų3664 Ų6419%0.18832%0.316CS..G310 helixtrans-77.6-22.5-176.7-65.3175.1000113.3P17 Q20 V21 I172 P173 F176P17-L23 HydrophobicContact CB-CD2 4.16Å; P17-L23 HydrophobicContact CB-CG 4.35Å; P17-L23 HydrophobicContact CG-CD1 4.28Å; P17-L23 HydrophobicContact CG-CD2 3.82Å; P17-L23 HydrophobicContact CG-CG 4.09Å; Q20-L23 WeakPolarHBondContact O-CB 3.15Å; Q20-L23 PolarHBondContact O-N 3.06Å; V21-L23 PolarHBondContact O-N 3.01Å; L23-I172 HydrophobicContact CD2-CG2 3.93Å; L23-P173 VanDerWaalsContact O-CD 3.3Å; L23-P173 WeakPolarHBondContact O-CD 3.28Å; L23-P173 VanDerWaalsContact O-CG 3.29Å; L23-P173 WeakPolarHBondContact O-CG 3.47Å; L23-F176 HydrophobicContact CD1-CB 4.31Å; L23-F176 HydrophobicContact CD2-CB 3.84Å; L23-F176 HydrophobicContact CD2-CD2 3.21Å; L23-F176 HydrophobicContact CD2-CE2 3.87Å; L23-F176 HydrophobicContact CD2-CG 3.64Å
24T65.5Low79Confident114 Ų11465.9 Ų65.970%0.69933%0.325SS*.SBendtrans-102.7-3.3-176.653.20000113V21V21-T24 PolarHBondContact O-N 2.95Å; V21-T24 PolarHBondContact O-OG1 2.96Å
25S72.1Confident79.1Confident47 Ų4765.9 Ų65.933%0.32933%0.325SS..  trans-75.8128.5179.2-179.70000111.5E27 H166S25-E27 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact OG-N 2.96Å; S25-E27 PolarHBondContact OG-O 2.89Å; S25-H166 PolarHBondContact O-CE1 3.5Å; S25-H166 PolarHBondContact O-ND1 3.1Å
26K66.4Low79.1Confident191 Ų19165.9 Ų65.983%0.8333%0.325SS*.SBendtrans-75-21.5170.4-66.6-170.4177.3-172.90112.9
27E78.7Confident79.2Confident120 Ų12062.8 Ų62.856%0.56131%0.313SS*.SBendtrans-90.7125.3176.4-71.1-179.1-176.700110.9S25 R29S25-E27 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact OG-N 2.96Å; S25-E27 PolarHBondContact OG-O 2.89Å; E27-R29 IonicContact OE2-CZ 3.1Å; E27-R29 IonicContact OE2-NE 3.94Å; E27-R29 IonicContact OE2-NH2 3.68Å; E27-R29 PolarHBondContact OE2-NH2 2.94Å
28Y87.4Confident79.2Confident53 Ų5366.8 Ų66.821%0.20833%0.33CS..  trans-70.2132.7171.7175.5-119.6000111.3Y33 F133 D159 L162 A163 H166Y28-Y33 HydrophobicContact CD2-CE2 4.12Å; Y28-Y33 HydrophobicContact CE2-CD2 4.02Å; Y28-Y33 AromaticContact CE2-CE2 3.84Å; Y28-Y33 HydrophobicContact CE2-CE2 3.84Å; Y28-F133 WeakPolarHBondContact OH-CE1 3.48Å; Y28-D159 WeakPolarHBondContact CE1-OD1 3.41Å; Y28-D159 PolarHBondContact OH-OD1 2.85Å; Y28-L162 HydrophobicContact CD2-CB 4.25Å; Y28-L162 HydrophobicContact CE2-CB 3.59Å; Y28-L162 HydrophobicContact CE2-CD1 4.48Å; Y28-A163 HydrophobicContact CD1-CB 3.45Å; Y28-A163 VanDerWaalsContact CD1-CB 3.45Å; Y28-A163 HydrophobicContact CE1-CB 3.89Å; Y28-A163 HydrophobicContact CG-CB 3.92Å; Y28-H166 AromaticContact CD2-CD2 3.46Å; Y28-H166 VanDerWaalsContact CD2-CD2 3.46Å; Y28-H166 WeakPolarHBondContact CD2-CD2 3.43Å; Y28-H166 AromaticContact CD2-NE2 3.79Å
29R86.5Confident79.4Confident125 Ų12565.4 Ų65.447%0.47233%0.325SS..  trans-142.8117.9169.6-56.9-177-178.3178-5.7109.1E27 K31 A32E27-R29 IonicContact OE2-CZ 3.1Å; E27-R29 IonicContact OE2-NE 3.94Å; E27-R29 IonicContact OE2-NH2 3.68Å; E27-R29 PolarHBondContact OE2-NH2 2.94Å; R29-K31 HydrophobicContact CB-CG 4.08Å; R29-K31 PolarHBondContact O-N 3.21Å; R29-A32 WeakPolarHBondContact O-CB 3.26Å; R29-A32 PolarHBondContact O-N 3.19Å
30A86.4Confident79.8Confident16 Ų1663.1 Ų63.113%0.13232%0.315CS..G310 helixtrans-53-30.3178.700000113.4A32 Y33 F133 Q134A30-A32 PolarHBondContact O-N 2.96Å; A30-A32 VanDerWaalsContact O-N 3.08Å; A30-Y33 PolarHBondContact O-N 3.39Å; A30-Y33 VanDerWaalsContact O-N 3.14Å; A30-F133 HydrophobicContact CB-CD1 3.99Å; A30-Q134 HydrophobicContact CB-CB 4.18Å
31K87.3Confident80.3Confident101 Ų10159.3 Ų59.344%0.43930%0.303SS..G310 helixtrans-61.7-18.8177.877.6-177.7176.2178.80114.3K18 R29 Q134K18-K31 VanDerWaalsContact CD-O 3.28Å; K18-K31 WeakPolarHBondContact CD-O 3.35Å; K18-K31 WeakPolarHBondContact CE-O 3.46Å; R29-K31 HydrophobicContact CB-CG 4.08Å; R29-K31 PolarHBondContact O-N 3.21Å; K31-Q134 HydrophobicContact CB-CB 3.97Å; K31-Q134 HydrophobicContact CB-CG 4.48Å
32A86.6Confident80.9Confident15 Ų1556.7 Ų56.712%0.12429%0.285CS..G310 helixtrans-77.6-11.3-178.700000112.9P17 K18 R29 A30P17-A32 CarbonylContact C-O 3.51Å; P17-A32 WeakPolarHBondContact CA-O 3.35Å; K18-A32 PolarHBondContact N-O 2.93Å; R29-A32 WeakPolarHBondContact O-CB 3.26Å; R29-A32 PolarHBondContact O-N 3.19Å; A30-A32 PolarHBondContact O-N 2.96Å; A30-A32 VanDerWaalsContact O-N 3.08Å
33Y89.8Confident80.8Confident1 Ų165.3 Ų65.30%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-120.6153.9-174.9-63.5-77000112.3R16 Y28 A30 F133 L162 H166 I172 F176R16-Y33 CarbonylContact O-C 3.59Å; R16-Y33 WeakPolarHBondContact O-CA 3.48Å; Y28-Y33 HydrophobicContact CD2-CE2 4.12Å; Y28-Y33 HydrophobicContact CE2-CD2 4.02Å; Y28-Y33 AromaticContact CE2-CE2 3.84Å; Y28-Y33 HydrophobicContact CE2-CE2 3.84Å; A30-Y33 PolarHBondContact O-N 3.39Å; A30-Y33 VanDerWaalsContact O-N 3.14Å; Y33-F133 WeakPolarHBondContact O-CB 3.26Å; Y33-F133 PolarHBondContact O-N 2.98Å; Y33-L162 HydrophobicContact CD2-CD1 4.34Å; Y33-L162 HydrophobicContact CG-CD1 4.45Å; Y33-H166 AromaticContact CE2-NE2 3.52Å; Y33-H166 AromaticContact CZ-NE2 3.51Å; Y33-H166 PolarHBondContact OH-CE1 3.34Å; Y33-H166 PolarHBondContact OH-NE2 3.02Å; Y33-I172 WeakPolarHBondContact OH-CG2 3.34Å; Y33-F176 HydrophobicContact CD1-CZ 4.2Å; Y33-F176 AromaticContact CE1-CE2 3.82Å; Y33-F176 HydrophobicContact CE1-CE2 3.82Å; Y33-F176 AromaticContact CE1-CZ 3.77Å; Y33-F176 HydrophobicContact CE1-CZ 3.77Å
34E89.2Confident80.5Confident39 Ų3967.8 Ų67.818%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-124.9146.7167.2-56.7-176138.800109.3I15 R16 K18 F130 Y131I15-E34 WeakPolarHBondContact CA-O 3.49Å; R16-E34 HydrophobicContact CG-CB 3.93Å; R16-E34 IonicContact CZ-OE2 3.88Å; R16-E34 PolarHBondContact N-O 3.46Å; R16-E34 IonicContact NE-OE2 2.84Å; R16-E34 PolarHBondContact NE-OE2 3.16Å; R16-E34 IonicContact NH2-OE2 2.99Å; R16-E34 PolarHBondContact NH2-OE2 3.02Å; R16-E34 PolarHBondContact O-N 3.42Å; K18-E34 HydrophobicContact CD-CG 4.23Å; K18-E34 HydrophobicContact CG-CG 3.62Å; E34-F130 HydrophobicContact CB-CB 4.31Å; E34-F130 HydrophobicContact CB-CD1 4.09Å; E34-Y131 CarbonylContact C-O 3.55Å; E34-Y131 WeakPolarHBondContact CA-O 3.43Å
35I90.2Very high80.6Confident0 Ų068.3 Ų68.30%035%0.35CS..EExtended strand (participates in β ladder)trans-125.9139.4179.8-170.3161.5000110.7A13 V14 I15 L37 L53 F130 Y131 F133 I136 L155 L158A13-I35 HydrophobicContact CB-CD1 4.22Å; V14-I35 WeakPolarHBondContact O-CA 2.96Å; I15-I35 HydrophobicContact CG2-CD1 4.29Å; I15-I35 HydrophobicContact CG2-CG1 4.35Å; I35-L37 HydrophobicContact CG2-CD1 4.37Å; I35-L37 HydrophobicContact CG2-CG 4.3Å; I35-L53 HydrophobicContact CD1-CD2 4.05Å; I35-F130 WeakPolarHBondContact O-CA 3.38Å; I35-Y131 PolarHBondContact N-O 3.43Å; I35-Y131 PolarHBondContact O-N 3.35Å; I35-F133 HydrophobicContact CB-CD2 4.2Å; I35-F133 HydrophobicContact CD1-CE2 4.33Å; I35-F133 HydrophobicContact CG2-CD2 3.76Å; I35-F133 HydrophobicContact CG2-CE2 4.45Å; I35-I136 HydrophobicContact CG2-CG1 4.35Å; I35-L155 HydrophobicContact CD1-CD2 3.49Å; I35-L155 VanDerWaalsContact CD1-CD2 3.49Å; I35-L158 HydrophobicContact CD1-CD2 3.51Å
36L88.1Confident79.9Confident4 Ų474.8 Ų74.82%0.02138%0.375CS..EExtended strand (participates in β ladder)trans-81.5125.8176.5-166.973.1000110.3V14 L54 I75 P128 S129 F130V14-L36 HydrophobicContact CB-CB 3.82Å; V14-L36 HydrophobicContact CB-CD2 4.15Å; V14-L36 HydrophobicContact CG1-CB 4.45Å; V14-L36 HydrophobicContact CG1-CD2 4.49Å; V14-L36 HydrophobicContact CG2-CD2 4.13Å; V14-L36 PolarHBondContact O-N 2.92Å; L36-L54 HydrophobicContact CD2-CD1 3.96Å; L36-I75 HydrophobicContact CD2-CD1 3.67Å; L36-I75 HydrophobicContact CD2-CG1 3.75Å; L36-P128 HydrophobicContact CD1-CB 3.98Å; L36-P128 HydrophobicContact CD2-CB 4.12Å; L36-P128 HydrophobicContact CG-CB 3.95Å; L36-S129 WeakPolarHBondContact CA-O 3.49Å; L36-F130 HydrophobicContact CB-CD1 4.12Å; L36-F130 HydrophobicContact CB-CE1 3.83Å; L36-F130 HydrophobicContact CB-CZ 4.1Å; L36-F130 HydrophobicContact CD1-CD1 4.38Å; L36-F130 HydrophobicContact CD1-CD2 3.74Å; L36-F130 HydrophobicContact CD1-CE1 4.36Å; L36-F130 HydrophobicContact CD1-CE2 3.73Å; L36-F130 HydrophobicContact CD1-CG 4.07Å; L36-F130 HydrophobicContact CD1-CZ 4.04Å
37L87.3Confident79.7Confident0 Ų075.6 Ų75.60%038%0.378CS..EExtended strand (participates in β ladder)trans-131149.6175.6-61.5172.3000110.4I35 K51 V52 L53 P128 S129 Y131 I136 F147I35-L37 HydrophobicContact CG2-CD1 4.37Å; I35-L37 HydrophobicContact CG2-CG 4.3Å; L37-K51 HydrophobicContact CB-CB 4.27Å; L37-K51 HydrophobicContact CD1-CB 4.12Å; L37-K51 HydrophobicContact CD1-CD 4.32Å; L37-V52 WeakPolarHBondContact CA-O 3.28Å; L37-L53 HydrophobicContact CD2-CD2 3.92Å; L37-L53 HydrophobicContact CD2-CG 4.28Å; L37-P128 CarbonylContact O-C 3.58Å; L37-P128 VanDerWaalsContact O-CA 3.28Å; L37-P128 WeakPolarHBondContact O-CA 3.45Å; L37-S129 PolarHBondContact N-O 2.97Å; L37-S129 PolarHBondContact O-N 3.48Å; L37-Y131 HydrophobicContact CB-CD2 3.91Å; L37-Y131 HydrophobicContact CB-CE2 3.92Å; L37-Y131 HydrophobicContact CD1-CD2 4.06Å; L37-Y131 HydrophobicContact CG-CD2 4.25Å; L37-I136 HydrophobicContact CD1-CD1 3.76Å; L37-I136 HydrophobicContact CD1-CG1 4.23Å; L37-F147 HydrophobicContact CD1-CE1 4.02Å
38K86.2Confident79.4Confident87 Ų8775.9 Ų75.938%0.37838%0.378SS..EExtended strand (participates in β ladder)trans-103.8137.7175.6-175.6177.9178.9179.10110.5V40 K51 V52 L54 P128K38-V40 HydrophobicContact CG-CG2 4.37Å; K38-K51 WeakPolarHBondContact O-CA 3.4Å; K38-V52 HydrophobicContact CB-CG2 4.3Å; K38-V52 PolarHBondContact N-O 3.14Å; K38-V52 PolarHBondContact O-N 3.24Å; K38-L54 HydrophobicContact CB-CD2 4.1Å; K38-P128 HydrophobicContact CB-CG 4.31Å; K38-P128 HydrophobicContact CG-CG 4.34Å
39E84.6Confident78.8Confident38 Ų3878.1 Ų78.118%0.17839%0.386CS..EExtended strand (participates in β ladder)trans-91.7119.6174.6-69.4-171.5173.600111.6R49 K50 K51 Y131E39-R49 HydrophobicContact CB-CB 4.37Å; E39-K50 CarbonylContact C-O 3.54Å; E39-K50 WeakPolarHBondContact CA-O 3.34Å; E39-K51 HydrophobicContact CG-CG 3.99Å; E39-K51 WeakPolarHBondContact OE1-CE 3.48Å; E39-Y131 PolarHBondContact OE1-OH 3.15Å
40V81.8Confident78.6Confident56 Ų5675 Ų7534%0.33938%0.375SS..EExtended strand (participates in β ladder)trans-115.8136.4-179.1-1780000109.4K38 R49 K50 V52K38-V40 HydrophobicContact CG-CG2 4.37Å; V40-R49 CarbonylContact O-C 3.5Å; V40-R49 VanDerWaalsContact O-CA 3.29Å; V40-R49 WeakPolarHBondContact O-CA 3.31Å; V40-K50 PolarHBondContact N-O 3.5Å; V40-K50 PolarHBondContact O-N 3.25Å; V40-V52 HydrophobicContact CG2-CG2 3.6Å
41P77.8Confident78.6Confident71 Ų7176.5 Ų76.546%0.46138%0.379SS..EExtended strand (participates in β ladder)trans-62.3145.9175.526.4-34.3000111.6
42L74.5Confident78.6Confident56 Ų5673 Ų7329%0.29337%0.366SS..EExtended strand (participates in β ladder)trans-73.3135.4171.9-89.1152.1000110.2G44 K45 K48 K50L42-G44 PolarHBondContact O-N 3.42Å; L42-K45 HydrophobicContact CB-CB 4.41Å; L42-K45 PolarHBondContact O-N 2.64Å; L42-K48 HydrophobicContact CB-CB 4.46Å; L42-K48 WeakPolarHBondContact CB-O 3.35Å; L42-K48 HydrophobicContact CD1-CB 3.64Å; L42-K48 PolarHBondContact N-O 2.82Å; L42-K50 HydrophobicContact CD1-CD 4.43Å; L42-K50 HydrophobicContact CD1-CG 4Å; L42-K50 HydrophobicContact CD2-CD 3.76Å; L42-K50 HydrophobicContact CD2-CG 4.18Å; L42-K50 HydrophobicContact CG-CD 4.13Å; L42-K50 HydrophobicContact CG-CG 3.98Å
43E64.2Low78.8Confident201 Ų20172.4 Ų72.494%0.93936%0.361SS*.THydrogen-bonded Turntrans-49.5124.2174.5-76.8-178.3160.800110.6K45E43-K45 VanDerWaalsContact C-N 3.34Å; E43-K45 PolarHBondContact O-N 3.47Å
44G60.7Low78.7Confident88 Ų8872.4 Ų72.491%0.90736%0.361SS*.THydrogen-bonded Turntrans75.84.4-179.600000116.7L42L42-G44 PolarHBondContact O-N 3.42Å
45K66.4Low78.7Confident125 Ų12573.4 Ų73.454%0.54337%0.369SS..EExtended strand (participates in β ladder)trans-138.889.1178.6-65.9-177.3-175.8171.60112.6L42 E43 K47 K48L42-K45 HydrophobicContact CB-CB 4.41Å; L42-K45 PolarHBondContact O-N 2.64Å; E43-K45 VanDerWaalsContact C-N 3.34Å; E43-K45 PolarHBondContact O-N 3.47Å; K45-K47 PolarHBondContact O-N 3.17Å; K45-K48 HydrophobicContact CB-CB 4.33Å; K45-K48 HydrophobicContact CD-CD 4.25Å; K45-K48 PolarHBondContact O-N 3.39Å; K45-K48 VanDerWaalsContact O-N 3.08Å
46E58.9Low78.6Confident184 Ų18474.8 Ų74.886%0.8638%0.378SS*.EExtended strand (participates in β ladder)trans-54.7-28.3-178.2-67.8-170.9156.700114.9
47K62Low78.4Confident207 Ų20780.5 Ų80.590%0.940%0.403SS*.EExtended strand (participates in β ladder)trans-87.7-13.8-178.4-67.8-173179.2-179.70115.1K45K45-K47 PolarHBondContact O-N 3.17Å
48K70.6Confident78Confident126 Ų12681 Ų8155%0.54841%0.405SS..EExtended strand (participates in β ladder)trans-107.9126.9-178.7-65.5-165.9178.1-169.10110L42 K45L42-K48 HydrophobicContact CB-CB 4.46Å; L42-K48 WeakPolarHBondContact CB-O 3.35Å; L42-K48 HydrophobicContact CD1-CB 3.64Å; L42-K48 PolarHBondContact N-O 2.82Å; K45-K48 HydrophobicContact CB-CB 4.33Å; K45-K48 HydrophobicContact CD-CD 4.25Å; K45-K48 PolarHBondContact O-N 3.39Å; K45-K48 VanDerWaalsContact O-N 3.08Å
49R75.4Confident77.5Confident100 Ų10084.2 Ų84.238%0.37742%0.419SS..EExtended strand (participates in β ladder)trans-117.5149.1-179.2-62.7-176.2178.1-117.31.8111.3E39 V40 S125 G126E39-R49 HydrophobicContact CB-CB 4.37Å; V40-R49 CarbonylContact O-C 3.5Å; V40-R49 VanDerWaalsContact O-CA 3.29Å; V40-R49 WeakPolarHBondContact O-CA 3.31Å; R49-S125 PolarHBondContact NE-OG 2.9Å; R49-S125 PolarHBondContact NH2-OG 3.5Å; R49-G126 VanDerWaalsContact NH1-CA 3.29Å
50K83Confident76.4Confident59 Ų5987.8 Ų87.826%0.25745%0.446SS..EExtended strand (participates in β ladder)trans-116.1152.4170.7-78-176.3169.2176.30110.4E39 V40 L42 P145 H146E39-K50 CarbonylContact C-O 3.54Å; E39-K50 WeakPolarHBondContact CA-O 3.34Å; V40-K50 PolarHBondContact N-O 3.5Å; V40-K50 PolarHBondContact O-N 3.25Å; L42-K50 HydrophobicContact CD1-CD 4.43Å; L42-K50 HydrophobicContact CD1-CG 4Å; L42-K50 HydrophobicContact CD2-CD 3.76Å; L42-K50 HydrophobicContact CD2-CG 4.18Å; L42-K50 HydrophobicContact CG-CD 4.13Å; L42-K50 HydrophobicContact CG-CG 3.98Å; K50-P145 WeakPolarHBondContact CE-O 3.45Å; K50-H146 WeakPolarHBondContact CA-O 3.31Å
51K86Confident75.7Confident49 Ų4987.9 Ų87.921%0.21346%0.458CS..EExtended strand (participates in β ladder)trans-93.7133.8175.5-67.2176.4-173.41770110.3L37 K38 E39 Y131 H146 F147L37-K51 HydrophobicContact CB-CB 4.27Å; L37-K51 HydrophobicContact CD1-CB 4.12Å; L37-K51 HydrophobicContact CD1-CD 4.32Å; K38-K51 WeakPolarHBondContact O-CA 3.4Å; E39-K51 HydrophobicContact CG-CG 3.99Å; E39-K51 WeakPolarHBondContact OE1-CE 3.48Å; K51-Y131 HydrophobicContact CD-CD2 4.44Å; K51-Y131 HydrophobicContact CD-CE1 4.35Å; K51-Y131 HydrophobicContact CD-CE2 4.05Å; K51-Y131 VanDerWaalsContact CE-CZ 3.49Å; K51-H146 PolarHBondContact N-O 3.1Å; K51-F147 HydrophobicContact CB-CD1 3.91Å; K51-F147 HydrophobicContact CB-CE1 3.79Å; K51-F147 HydrophobicContact CD-CE1 4.3Å
52V87.8Confident75.3Confident27 Ų2789.1 Ų89.116%0.16446%0.461CS..EExtended strand (participates in β ladder)trans-133154.1179.3-59.20000111.2L37 K38 V40 C148L37-V52 WeakPolarHBondContact CA-O 3.28Å; K38-V52 HydrophobicContact CB-CG2 4.3Å; K38-V52 PolarHBondContact N-O 3.14Å; K38-V52 PolarHBondContact O-N 3.24Å; V40-V52 HydrophobicContact CG2-CG2 3.6Å; V52-C148 HydrophobicContact CG1-CB 4.37Å
53L89.9Confident75.2Confident2 Ų290.1 Ų90.11%0.0146%0.463CS..  trans-63.6161.3166.2-74.5168.4000110.7Y11 A13 I35 L37 L108 T151 M154 L155Y11-L53 HydrophobicContact CD1-CB 4.33Å; A13-L53 HydrophobicContact CB-CD2 4.09Å; I35-L53 HydrophobicContact CD1-CD2 4.05Å; L37-L53 HydrophobicContact CD2-CD2 3.92Å; L37-L53 HydrophobicContact CD2-CG 4.28Å; L53-L108 HydrophobicContact CD1-CD1 4.1Å; L53-T151 HydrophobicContact CG-CG2 4.11Å; L53-T151 PolarHBondContact N-OG1 3.28Å; L53-M154 HydrophobicContact CD1-CB 3.65Å; L53-M154 HydrophobicContact CD1-CG 4.47Å; L53-M154 HydrophobicContact CD1-SD 4.04Å; L53-L155 HydrophobicContact CD2-CD2 4.14Å
54L89.1Confident75.5Confident1 Ų182 Ų821%0.00543%0.429CS..EExtended strand (participates in β ladder)trans-70139.3171.9-57.5-175.4000109.7Y11 V12 V14 L36 K38 Y70 T74 P128Y11-L54 CarbonylContact C-O 3.6Å; Y11-L54 WeakPolarHBondContact CA-O 3.31Å; V12-L54 HydrophobicContact CB-CB 4.3Å; V12-L54 PolarHBondContact N-O 2.98Å; V14-L54 HydrophobicContact CG2-CD1 4.15Å; L36-L54 HydrophobicContact CD2-CD1 3.96Å; K38-L54 HydrophobicContact CB-CD2 4.1Å; L54-Y70 HydrophobicContact CB-CE1 3.94Å; L54-Y70 HydrophobicContact CD1-CE1 4.44Å; L54-T74 HydrophobicContact CD1-CG2 3.92Å; L54-T74 HydrophobicContact CD2-CG2 3.91Å; L54-P128 HydrophobicContact CD2-CB 4.42Å; L54-P128 HydrophobicContact CD2-CG 4.14Å
55V88.8Confident76.2Confident60 Ų6084 Ų8436%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-134.1131.1-175.9-170.50000109.6V10 Y11 Y70V10-V55 WeakPolarHBondContact O-CA 3.46Å; Y11-V55 HydrophobicContact CD1-CG2 3.46Å; Y11-V55 VanDerWaalsContact CD1-CG2 3.46Å; Y11-V55 HydrophobicContact CE1-CB 4.42Å; Y11-V55 HydrophobicContact CE1-CG1 4.22Å; Y11-V55 HydrophobicContact CE1-CG2 3.32Å; Y11-V55 HydrophobicContact CE2-CG1 4.22Å; Y11-V55 HydrophobicContact CG-CG2 4.22Å; V55-Y70 PolarHBondContact N-OH 3.33Å; V55-Y70 PolarHBondContact O-OH 2.86Å
56T87.1Confident76.9Confident30 Ų3080.7 Ų80.718%0.18440%0.404CS..EExtended strand (participates in β ladder)trans-142.8164.8175.8-168.20000110.9V10 I58 Y70V10-T56 HydrophobicContact CB-CG2 4.24Å; V10-T56 HydrophobicContact CG1-CG2 4.37Å; V10-T56 PolarHBondContact N-O 2.77Å; V10-T56 PolarHBondContact O-N 3.37Å; T56-I58 HydrophobicContact CG2-CD1 4.12Å; T56-I58 HydrophobicContact CG2-CG1 4.01Å; T56-Y70 HydrophobicContact CG2-CD1 3.8Å; T56-Y70 HydrophobicContact CG2-CD2 4.35Å; T56-Y70 HydrophobicContact CG2-CE1 4.08Å; T56-Y70 HydrophobicContact CG2-CG 3.95Å
57K84.3Confident78Confident124 Ų12471.9 Ų71.954%0.53936%0.363SS..EExtended strand (participates in β ladder)trans-110.3129.6174.7-78-174.4173.4-168.60109.6E8 D9E8-K57 WeakPolarHBondContact O-CA 3.46Å; D9-K57 WeakPolarHBondContact OD1-CE 3.08Å; D9-K57 VanDerWaalsContact OD1-CG 3.3Å; D9-K57 WeakPolarHBondContact OD1-CG 3.48Å
58I79.8Confident78.8Confident9 Ų963.9 Ų63.95%0.04633%0.33CS..EExtended strand (participates in β ladder)trans-119131.1-175.9-61-175.4000110.6S7 E8 V10 T56 K63 I67S7-I58 WeakPolarHBondContact CA-O 3.37Å; E8-I58 PolarHBondContact N-O 2.87Å; E8-I58 VanDerWaalsContact N-O 3.16Å; E8-I58 PolarHBondContact O-N 2.94Å; E8-I58 VanDerWaalsContact O-N 3.14Å; V10-I58 HydrophobicContact CB-CD1 4.2Å; V10-I58 HydrophobicContact CB-CG1 4.41Å; V10-I58 HydrophobicContact CG1-CD1 4.14Å; V10-I58 HydrophobicContact CG2-CB 4.32Å; V10-I58 HydrophobicContact CG2-CD1 4.05Å; V10-I58 HydrophobicContact CG2-CG1 4.17Å; T56-I58 HydrophobicContact CG2-CD1 4.12Å; T56-I58 HydrophobicContact CG2-CG1 4.01Å; I58-K63 HydrophobicContact CG2-CB 4.49Å; I58-K63 HydrophobicContact CG2-CG 4.12Å; I58-I67 HydrophobicContact CD1-CB 4.44Å; I58-I67 HydrophobicContact CD1-CD1 4Å; I58-I67 HydrophobicContact CD1-CG1 3.25Å
59K74.8Confident79.3Confident155 Ų15561.6 Ų61.667%0.67432%0.324SS*.  trans-77.4153.7173.9-66.3-171.5179.2-169.70110.8G61K59-G61 PolarHBondContact O-N 3.3Å; K59-G61 VanDerWaalsContact O-N 3.16Å
60P60.8Low79.7Confident113 Ų11359 Ų5973%0.73432%0.315SS*.SBendtrans-58.8118.3176.220.7-30.4000111.4
61G67.9Low79.7Confident58 Ų5856.3 Ų56.360%0.59830%0.303SS*.SBendtrans169.8-158.3-171.800000112.1K59 K63K59-G61 PolarHBondContact O-N 3.3Å; K59-G61 VanDerWaalsContact O-N 3.16Å; G61-K63 VanDerWaalsContact C-N 3.32Å; G61-K63 PolarHBondContact O-N 3.36Å
62D68.4Low79.2Confident97 Ų9755.7 Ų55.752%0.51930%0.302SS..  trans-71.784.3173.9-173.8-6.2000110.9S64 K65 S66D62-S64 PolarHBondContact O-N 3.22Å; D62-S64 VanDerWaalsContact O-N 3.17Å; D62-S64 PolarHBondContact OD1-N 3.39Å; D62-K65 HydrophobicContact CB-CB 4.47Å; D62-K65 PolarHBondContact O-N 3.02Å; D62-K65 PolarHBondContact OD1-N 2.71Å; D62-S66 PolarHBondContact O-N 3.36Å; D62-S66 PolarHBondContact O-OG 2.84Å
63K72.9Confident78.7Confident77 Ų7761 Ų6134%0.33533%0.325SS..Hα-helixtrans-55-33.7-177.3-64.9-172.1-179.3-172.10112.4E8 I58 G61 I67E8-K63 IonicContact OE2-NZ 3.2Å; E8-K63 PolarHBondContact OE2-NZ 3.07Å; I58-K63 HydrophobicContact CG2-CB 4.49Å; I58-K63 HydrophobicContact CG2-CG 4.12Å; G61-K63 VanDerWaalsContact C-N 3.32Å; G61-K63 PolarHBondContact O-N 3.36Å; K63-I67 WeakPolarHBondContact O-CD1 3.46Å; K63-I67 WeakPolarHBondContact O-CG1 3.17Å; K63-I67 PolarHBondContact O-N 3.19Å
64S71.3Confident78.1Confident32 Ų3262.3 Ų62.322%0.22433%0.333CS..Hα-helixtrans-66.5-47-177.1-62.20000111.6D62 I67 L68D62-S64 PolarHBondContact O-N 3.22Å; D62-S64 VanDerWaalsContact O-N 3.17Å; D62-S64 PolarHBondContact OD1-N 3.39Å; S64-I67 PolarHBondContact O-N 3.41Å; S64-L68 WeakPolarHBondContact O-CG 3.44Å; S64-L68 PolarHBondContact O-N 2.97Å; S64-L68 VanDerWaalsContact O-N 3.13Å
65K74.6Confident77.3Confident130 Ų13062.7 Ų62.757%0.56534%0.335SS*.Hα-helixtrans-63.1-45178-171178.7176.9-174.20111.1D62 I67 L68 D69D62-K65 HydrophobicContact CB-CB 4.47Å; D62-K65 PolarHBondContact O-N 3.02Å; D62-K65 PolarHBondContact OD1-N 2.71Å; K65-I67 PolarHBondContact O-N 3.32Å; K65-L68 PolarHBondContact O-N 2.97Å; K65-D69 WeakPolarHBondContact O-CB 3.24Å; K65-D69 PolarHBondContact O-N 3.07Å
66S80.8Confident76.3Confident54 Ų5466.2 Ų66.238%0.37835%0.345SS..Hα-helixtrans-61.5-39178.4-58.80000113.6D62 Y70D62-S66 PolarHBondContact O-N 3.36Å; D62-S66 PolarHBondContact O-OG 2.84Å; S66-Y70 WeakPolarHBondContact O-CB 3.35Å; S66-Y70 PolarHBondContact O-N 2.86Å
67I82.5Confident75.1Confident0 Ų069.6 Ų69.60%037%0.368CS..Hα-helixtrans-66.3-43.2176.5-69.4165.5000110.7V10 V12 I58 K63 S64 K65 Y70 V71 V89 F109 V111V10-I67 HydrophobicContact CG1-CD1 4.12Å; V10-I67 HydrophobicContact CG1-CG1 4.21Å; V12-I67 HydrophobicContact CG1-CG2 4.19Å; V12-I67 HydrophobicContact CG2-CG2 4.01Å; I58-I67 HydrophobicContact CD1-CB 4.44Å; I58-I67 HydrophobicContact CD1-CD1 4Å; I58-I67 HydrophobicContact CD1-CG1 3.25Å; K63-I67 WeakPolarHBondContact O-CD1 3.46Å; K63-I67 WeakPolarHBondContact O-CG1 3.17Å; K63-I67 PolarHBondContact O-N 3.19Å; S64-I67 PolarHBondContact O-N 3.41Å; K65-I67 PolarHBondContact O-N 3.32Å; I67-Y70 PolarHBondContact O-N 3.44Å; I67-V71 HydrophobicContact CG2-CG2 4.47Å; I67-V71 VanDerWaalsContact O-CG2 3.27Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3Å; I67-V89 HydrophobicContact CB-CG1 4.27Å; I67-V89 HydrophobicContact CB-CG2 4.08Å; I67-V89 HydrophobicContact CD1-CG1 3.7Å; I67-V89 HydrophobicContact CG2-CG1 3.97Å; I67-V89 HydrophobicContact CG2-CG2 3.88Å; I67-F109 HydrophobicContact CD1-CB 4.21Å; I67-F109 HydrophobicContact CD1-CD1 3.68Å; I67-F109 HydrophobicContact CD1-CD2 3.8Å; I67-F109 HydrophobicContact CD1-CE1 3.81Å; I67-F109 HydrophobicContact CD1-CE2 3.93Å; I67-F109 HydrophobicContact CD1-CG 3.63Å; I67-F109 HydrophobicContact CD1-CZ 3.93Å; I67-V111 HydrophobicContact CG2-CG2 3.95Å
68L79.6Confident74.1Confident38 Ų3866 Ų6620%0.19935%0.354CS..Hα-helixtrans-68.8-41.9-179.7-66.9-175.6000112.4S64 K65 Y70 V71 D72 G86 V89 V111S64-L68 WeakPolarHBondContact O-CG 3.44Å; S64-L68 PolarHBondContact O-N 2.97Å; S64-L68 VanDerWaalsContact O-N 3.13Å; K65-L68 PolarHBondContact O-N 2.97Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.27Å; L68-V71 PolarHBondContact O-N 3.21Å; L68-D72 WeakPolarHBondContact O-CB 3.26Å; L68-D72 PolarHBondContact O-N 3.26Å; L68-G86 WeakPolarHBondContact CD2-O 3.49Å; L68-V89 HydrophobicContact CD1-CG2 4.18Å; L68-V89 HydrophobicContact CD2-CG2 3.35Å; L68-V89 HydrophobicContact CG-CG2 3.49Å; L68-V89 VanDerWaalsContact CG-CG2 3.49Å; L68-V111 HydrophobicContact CD2-CG1 4.09Å; L68-V111 HydrophobicContact CD2-CG2 4.49Å
69D80.8Confident72.9Confident79 Ų7966.3 Ų66.342%0.42236%0.357SS..Hα-helixtrans-60.8-44.2176-67.2-17.3000110.1K65 V71 D72 E73K65-D69 WeakPolarHBondContact O-CB 3.24Å; K65-D69 PolarHBondContact O-N 3.07Å; D69-V71 PolarHBondContact O-N 3.44Å; D69-D72 PolarHBondContact O-N 3.42Å; D69-E73 WeakPolarHBondContact O-CG 3.49Å; D69-E73 PolarHBondContact O-N 3.44Å
70Y84.5Confident71.8Confident46 Ų4665.6 Ų65.618%0.1836%0.361CS..Hα-helixtrans-61.8-44175.1169.8-101.6000113L54 V55 T56 S66 I67 L68 D72 T74L54-Y70 HydrophobicContact CB-CE1 3.94Å; L54-Y70 HydrophobicContact CD1-CE1 4.44Å; V55-Y70 PolarHBondContact N-OH 3.33Å; V55-Y70 PolarHBondContact O-OH 2.86Å; T56-Y70 HydrophobicContact CG2-CD1 3.8Å; T56-Y70 HydrophobicContact CG2-CD2 4.35Å; T56-Y70 HydrophobicContact CG2-CE1 4.08Å; T56-Y70 HydrophobicContact CG2-CG 3.95Å; S66-Y70 WeakPolarHBondContact O-CB 3.35Å; S66-Y70 PolarHBondContact O-N 2.86Å; I67-Y70 PolarHBondContact O-N 3.44Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.27Å; Y70-D72 VanDerWaalsContact C-N 3.35Å; Y70-T74 VanDerWaalsContact O-CB 3.27Å; Y70-T74 WeakPolarHBondContact O-CB 3.45Å; Y70-T74 PolarHBondContact O-N 3.12Å; Y70-T74 PolarHBondContact O-OG1 3.05Å
71V81.1Confident71.2Confident1 Ų168.1 Ų68.11%0.00637%0.368CS..Hα-helixtrans-64.7-41.5177.5169.70000110.6V12 V14 I67 L68 D69 T74 I75 V111V12-V71 HydrophobicContact CG1-CG2 3.76Å; V14-V71 HydrophobicContact CG2-CG1 4Å; V14-V71 HydrophobicContact CG2-CG2 4.15Å; I67-V71 HydrophobicContact CG2-CG2 4.47Å; I67-V71 VanDerWaalsContact O-CG2 3.27Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3Å; L68-V71 PolarHBondContact O-N 3.21Å; D69-V71 PolarHBondContact O-N 3.44Å; V71-T74 PolarHBondContact O-N 3.08Å; V71-I75 HydrophobicContact CG1-CD1 3.48Å; V71-I75 VanDerWaalsContact CG1-CD1 3.48Å; V71-I75 HydrophobicContact CG1-CG1 4.32Å; V71-I75 WeakPolarHBondContact O-CB 3.37Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.19Å; V71-I75 PolarHBondContact O-N 2.89Å; V71-V111 HydrophobicContact CG1-CG1 4.49Å; V71-V111 HydrophobicContact CG2-CG2 4.43Å
72D76.9Confident70.3Confident36 Ų3670.4 Ų70.419%0.19336%0.363CS..Hα-helixtrans-62-51.4176.7-169.258.5000111L68 D69 Y70 T74 I75 K76 T85L68-D72 WeakPolarHBondContact O-CB 3.26Å; L68-D72 PolarHBondContact O-N 3.26Å; D69-D72 PolarHBondContact O-N 3.42Å; Y70-D72 VanDerWaalsContact C-N 3.35Å; D72-T74 PolarHBondContact O-N 2.7Å; D72-I75 PolarHBondContact O-N 3.48Å; D72-I75 VanDerWaalsContact O-N 3.14Å; D72-K76 WeakPolarHBondContact O-CB 3.47Å; D72-K76 PolarHBondContact O-N 3.49Å; D72-T85 HydrophobicContact CB-CG2 4.02Å; D72-T85 WeakPolarHBondContact OD1-CG2 3.44Å
73E77.9Confident69.2Low139 Ų13969.8 Ų69.865%0.6537%0.366SS*.Hα-helixtrans-55.7-38.8176.1-74.7179.6177.500112.6D69 P77D69-E73 WeakPolarHBondContact O-CG 3.49Å; D69-E73 PolarHBondContact O-N 3.44Å; E73-P77 WeakPolarHBondContact O-CD 3.35Å
74T77Confident68.3Low29 Ų2968.4 Ų68.418%0.17836%0.361CS..Hα-helixtrans-73.4-32.5-178.9-59.50000112.8L54 Y70 V71 D72 P128L54-T74 HydrophobicContact CD1-CG2 3.92Å; L54-T74 HydrophobicContact CD2-CG2 3.91Å; Y70-T74 VanDerWaalsContact O-CB 3.27Å; Y70-T74 WeakPolarHBondContact O-CB 3.45Å; Y70-T74 PolarHBondContact O-N 3.12Å; Y70-T74 PolarHBondContact O-OG1 3.05Å; V71-T74 PolarHBondContact O-N 3.08Å; D72-T74 PolarHBondContact O-N 2.7Å; T74-P128 HydrophobicContact CG2-CG 3.72Å
75I72.4Confident67.4Low9 Ų969.4 Ų69.45%0.04637%0.365CS..Hα-helixtrans-94.8-24.5-175.8-64.7175.6000112.5V14 L36 V71 D72 P77 I78 S79 F84V14-I75 HydrophobicContact CG1-CD1 4.38Å; L36-I75 HydrophobicContact CD2-CD1 3.67Å; L36-I75 HydrophobicContact CD2-CG1 3.75Å; V71-I75 HydrophobicContact CG1-CD1 3.48Å; V71-I75 VanDerWaalsContact CG1-CD1 3.48Å; V71-I75 HydrophobicContact CG1-CG1 4.32Å; V71-I75 WeakPolarHBondContact O-CB 3.37Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.19Å; V71-I75 PolarHBondContact O-N 2.89Å; D72-I75 PolarHBondContact O-N 3.48Å; D72-I75 VanDerWaalsContact O-N 3.14Å; I75-P77 VanDerWaalsContact C-N 3.35Å; I75-I78 WeakPolarHBondContact O-CB 3.48Å; I75-I78 PolarHBondContact O-N 3.29Å; I75-S79 PolarHBondContact O-OG 3.46Å; I75-F84 HydrophobicContact CG2-CB 4.47Å
76K66.6Low66.5Low134 Ų13463.3 Ų63.358%0.58334%0.34SS*.G310 helixtrans-51.9-38.5-179-169.5172.6-172.7173.10114.9D72 I78D72-K76 WeakPolarHBondContact O-CB 3.47Å; D72-K76 PolarHBondContact O-N 3.49Å; K76-I78 PolarHBondContact O-N 3.44Å
77P62.6Low65.6Low102 Ų10265.7 Ų65.766%0.66234%0.343SS*.G310 helixtrans-68.7-18.3177.1-18.532.1000114.4E73 I75E73-P77 WeakPolarHBondContact O-CD 3.35Å; I75-P77 VanDerWaalsContact C-N 3.35Å
78I62.1Low65Low47 Ų4768.6 Ų68.624%0.24135%0.354CS..G310 helixtrans-92.9-17.8-173.1-60.6155.1000111.8I75 K76 P128I75-I78 WeakPolarHBondContact O-CB 3.48Å; I75-I78 PolarHBondContact O-N 3.29Å; K76-I78 PolarHBondContact O-N 3.44Å; I78-P128 HydrophobicContact CD1-CB 3.9Å; I78-P128 HydrophobicContact CD1-CG 4.15Å; I78-P128 WeakPolarHBondContact CD1-O 3.4Å
79S55.4Low64.9Low16 Ų1667.8 Ų67.811%0.11235%0.351CS..SBendtrans-117.316.2-161.654.40000116.1I75 N81 Q82I75-S79 PolarHBondContact O-OG 3.46Å; S79-N81 PolarHBondContact O-N 3.01Å; S79-N81 VanDerWaalsContact O-N 3.12Å; S79-Q82 WeakPolarHBondContact CB-O 3.33Å; S79-Q82 PolarHBondContact O-N 3.41Å; S79-Q82 PolarHBondContact OG-O 3.33Å
80N51.8Low64.9Low140 Ų14065.1 Ų65.175%0.74934%0.337SS*.THydrogen-bonded Turntrans31.265.5173.7-107.110.6000114.3
81N47.3Very low64.9Low167 Ų16767.5 Ų67.589%0.89335%0.35SS*.THydrogen-bonded Turntrans71.815.4175.1-65.8-20.2000118.4S79S79-N81 PolarHBondContact O-N 3.01Å; S79-N81 VanDerWaalsContact O-N 3.12Å
82Q49.5Very low65Low106 Ų10669 Ų6950%0.49536%0.357SS..  trans-114.4103.3163.2-70.9-171.61.400111.3S79 F84 D117S79-Q82 WeakPolarHBondContact CB-O 3.33Å; S79-Q82 PolarHBondContact O-N 3.41Å; S79-Q82 PolarHBondContact OG-O 3.33Å; Q82-F84 WeakPolarHBondContact O-CD2 3.37Å; Q82-F84 PolarHBondContact O-N 2.91Å; Q82-D117 PolarHBondContact OE1-OD2 3.45Å
83S45Very low65.1Low83 Ų8373.4 Ų73.458%0.5837%0.374SS*.  trans-64.7100.1179.558.30000111T85S83-T85 PolarHBondContact O-N 2.81Å
84F54.8Low65.4Low49 Ų4971.4 Ų71.422%0.21536%0.364CS..  trans-76.569.8165.3-67.8-74.1000109.6I75 Q82 G86 K116I75-F84 HydrophobicContact CG2-CB 4.47Å; Q82-F84 WeakPolarHBondContact O-CD2 3.37Å; Q82-F84 PolarHBondContact O-N 2.91Å; F84-G86 PolarHBondContact O-N 3.32Å; F84-K116 WeakPolarHBondContact CE1-O 3.47Å; F84-K116 WeakPolarHBondContact CZ-O 3.48Å
85T52.7Low65.7Low52 Ų5271.3 Ų71.332%0.31936%0.361SS..  trans-73.2114.3171.644.10000108.2D72 S83 K87D72-T85 HydrophobicContact CB-CG2 4.02Å; D72-T85 WeakPolarHBondContact OD1-CG2 3.44Å; S83-T85 PolarHBondContact O-N 2.81Å; T85-K87 VanDerWaalsContact O-CG 3.25Å; T85-K87 WeakPolarHBondContact O-CG 3.36Å; T85-K87 PolarHBondContact O-N 2.73Å
86G54.7Low66Low3 Ų376.1 Ų76.13%0.03139%0.385CS..  trans-52.7127.915300000107L68 F84L68-G86 WeakPolarHBondContact CD2-O 3.49Å; F84-G86 PolarHBondContact O-N 3.32Å
87K62.2Low66.4Low104 Ų10470.1 Ų70.145%0.45236%0.36SS..  trans-105.29.8-175.7-50.5-167.2175.7-177.10112.3T85 A179 E182T85-K87 VanDerWaalsContact O-CG 3.25Å; T85-K87 WeakPolarHBondContact O-CG 3.36Å; T85-K87 PolarHBondContact O-N 2.73Å; K87-A179 HydrophobicContact CB-CB 3.53Å; K87-A179 HydrophobicContact CD-CB 4.18Å; K87-A179 HydrophobicContact CG-CB 4.49Å; K87-E182 HydrophobicContact CD-CG 4.41Å
88R70.6Confident66.5Low60 Ų6070.9 Ų70.923%0.22636%0.355CS..  trans-145.3145-179.4-167.4175.3-165.2178.35.7109.1V90 P112 A174 D224R88-V90 HydrophobicContact CG-CG2 4.37Å; R88-P112 HydrophobicContact CB-CG 4.28Å; R88-A174 PolarHBondContact NH1-O 3.42Å; R88-D224 IonicContact NH2-OD2 3.93Å; R88-D224 PolarHBondContact NH2-OD2 2.8Å
89V77.7Confident66.6Low22 Ų2270.9 Ų70.913%0.13337%0.366CS..  trans-126.1126.5173.2-178.20000107.2I67 L68 F109 V111I67-V89 HydrophobicContact CB-CG1 4.27Å; I67-V89 HydrophobicContact CB-CG2 4.08Å; I67-V89 HydrophobicContact CD1-CG1 3.7Å; I67-V89 HydrophobicContact CG2-CG1 3.97Å; I67-V89 HydrophobicContact CG2-CG2 3.88Å; L68-V89 HydrophobicContact CD1-CG2 4.18Å; L68-V89 HydrophobicContact CD2-CG2 3.35Å; L68-V89 HydrophobicContact CG-CG2 3.49Å; L68-V89 VanDerWaalsContact CG-CG2 3.49Å; V89-F109 HydrophobicContact CG1-CB 3.97Å; V89-F109 HydrophobicContact CG1-CD1 3.52Å; V89-F109 HydrophobicContact CG1-CE1 4.33Å; V89-F109 HydrophobicContact CG1-CG 4.09Å; V89-V111 HydrophobicContact CG2-CG2 4.25Å
90V80.6Confident66.5Low22 Ų2278.3 Ų78.313%0.13340%0.404CS..EExtended strand (participates in β ladder)trans-113119.5176.7-179.50000108.1R88 M92 F109 V110 W161 L175R88-V90 HydrophobicContact CG-CG2 4.37Å; V90-M92 PolarHBondContact O-N 3.3Å; V90-F109 CarbonylContact O-C 3.58Å; V90-F109 VanDerWaalsContact O-CA 3.28Å; V90-F109 WeakPolarHBondContact O-CA 3.34Å; V90-V110 HydrophobicContact CB-CB 4.39Å; V90-V110 PolarHBondContact N-O 3.1Å; V90-V110 PolarHBondContact O-N 2.9Å; V90-W161 HydrophobicContact CG1-CZ2 4.36Å; V90-L175 HydrophobicContact CG2-CD1 3.96Å
91H83.3Confident66.8Low97 Ų9774.9 Ų74.945%0.44939%0.386SS..EExtended strand (participates in β ladder)trans-72.6119.9170.5-179.9-114000108.9F109H91-F109 VanDerWaalsContact CA-CD1 3.48Å; H91-F109 HydrophobicContact CB-CD1 3.78Å; H91-F109 HydrophobicContact CB-CE1 3.54Å; H91-F109 HydrophobicContact CB-CZ 4.35Å; H91-F109 AromaticContact CD2-CE1 3.58Å; H91-F109 AromaticContact CD2-CE2 3.88Å; H91-F109 AromaticContact CD2-CZ 3.52Å; H91-F109 AromaticContact CG-CE1 3.89Å
92M83.3Confident67.2Low32 Ų3274.7 Ų74.716%0.15838%0.38CS..EExtended strand (participates in β ladder)trans-93.7-63.6-175.6179.2-178.3159.700111.1V90 L108 V110 A157 L158 W161V90-M92 PolarHBondContact O-N 3.3Å; M92-L108 HydrophobicContact CB-CG 4.49Å; M92-L108 WeakPolarHBondContact CB-O 3.42Å; M92-L108 HydrophobicContact CE-CD2 4.34Å; M92-L108 PolarHBondContact N-O 3.42Å; M92-L108 HydrophobicContact SD-CD2 3.61Å; M92-L108 HydrophobicContact SD-CG 4.33Å; M92-V110 HydrophobicContact CB-CG2 4.12Å; M92-V110 HydrophobicContact SD-CG2 4.1Å; M92-A157 VanDerWaalsContact CE-C 3.46Å; M92-A157 HydrophobicContact CE-CB 3.9Å; M92-A157 VanDerWaalsContact CE-O 3.31Å; M92-A157 WeakPolarHBondContact CE-O 3.16Å; M92-L158 HydrophobicContact SD-CD1 4.04Å; M92-W161 HydrophobicContact CE-CB 3.45Å; M92-W161 VanDerWaalsContact CE-CB 3.45Å; M92-W161 HydrophobicContact CE-CG 3.87Å; M92-W161 HydrophobicContact CG-CD2 4.42Å; M92-W161 HydrophobicContact CG-CG 4.26Å; M92-W161 HydrophobicContact SD-CB 4.22Å; M92-W161 HydrophobicContact SD-CD2 4.33Å; M92-W161 HydrophobicContact SD-CG 4.17Å
93K80.1Confident67.7Low128 Ų12873 Ų7356%0.55739%0.39SS*.EExtended strand (participates in β ladder)trans-165.9156.5-173.8-160.8174.8176.6176.50111.3F95 L108K93-F95 HydrophobicContact CB-CE2 4.04Å; K93-F95 HydrophobicContact CB-CZ 4.48Å; K93-L108 PolarHBondContact N-O 2.84Å; K93-L108 WeakPolarHBondContact O-CB 3.4Å; K93-L108 PolarHBondContact O-N 2.98Å
94K84.5Confident68.9Low97 Ų9774.3 Ų74.342%0.42239%0.386SS..EExtended strand (participates in β ladder)trans-90.5147.2167.9-69.6-178.1162-162.60112.4E105 A106 S107K94-E105 WeakPolarHBondContact CD-OE2 3.48Å; K94-E105 IonicContact NZ-OE2 3.86Å; K94-E105 PolarHBondContact NZ-OE2 2.8Å; K94-A106 CarbonylContact C-O 3.58Å; K94-A106 WeakPolarHBondContact CA-O 3.49Å; K94-S107 WeakPolarHBondContact CG-OG 3.28Å
95F82.1Confident70.1Confident27 Ų2777.1 Ų77.112%0.11840%0.399CS..EExtended strand (participates in β ladder)trans-128.1144.4178.5-66.5-97.6000109.9K93 A106 L108 M154 A157K93-F95 HydrophobicContact CB-CE2 4.04Å; K93-F95 HydrophobicContact CB-CZ 4.48Å; F95-A106 PolarHBondContact N-O 3.47Å; F95-A106 PolarHBondContact O-N 2.95Å; F95-L108 HydrophobicContact CD2-CB 3.99Å; F95-L108 HydrophobicContact CE2-CB 3.58Å; F95-L108 HydrophobicContact CE2-CD2 3.68Å; F95-L108 HydrophobicContact CE2-CG 4.29Å; F95-L108 HydrophobicContact CZ-CD2 4.05Å; F95-M154 HydrophobicContact CB-CE 3.78Å; F95-M154 HydrophobicContact CD1-CG 4.12Å; F95-M154 HydrophobicContact CD2-CE 3.74Å; F95-M154 HydrophobicContact CD2-CG 3.91Å; F95-M154 HydrophobicContact CE1-CG 4.11Å; F95-M154 HydrophobicContact CE2-CG 3.93Å; F95-M154 HydrophobicContact CG-CE 3.83Å; F95-M154 HydrophobicContact CG-CG 4.02Å; F95-M154 HydrophobicContact CZ-CG 4.02Å; F95-A157 HydrophobicContact CE1-CB 3.87Å; F95-A157 HydrophobicContact CZ-CB 3.57Å
96I79.5Confident71.6Confident110 Ų11074.6 Ų74.656%0.56438%0.384SS*.EExtended strand (participates in β ladder)trans-87.5126.1174.4-58.9171.5000108.3R153I96-R153 PolarHBondContact O-NH1 2.96Å; I96-R153 VanDerWaalsContact O-NH1 3.1Å; I96-R153 PolarHBondContact O-NH2 3.41Å; I96-R153 VanDerWaalsContact O-NH2 3.17Å
97L75.4Confident73.1Confident8 Ų874.6 Ų74.64%0.04238%0.383CS..  trans-78.1143.7176-61.3179000110.6Y11 N101 K104 A106 V150Y11-L97 HydrophobicContact CE2-CD2 4.33Å; L97-N101 HydrophobicContact CB-CB 4.19Å; L97-N101 HydrophobicContact CD1-CB 4.19Å; L97-K104 HydrophobicContact CD1-CB 4.37Å; L97-K104 PolarHBondContact N-O 3.39Å; L97-K104 VanDerWaalsContact N-O 3.08Å; L97-A106 HydrophobicContact CD1-CB 4.14Å; L97-A106 HydrophobicContact CD2-CB 3.91Å; L97-A106 HydrophobicContact CG-CB 4Å; L97-V150 HydrophobicContact CD2-CG1 3.89Å; L97-V150 HydrophobicContact CD2-CG2 4.08Å
98E63.7Low74.3Confident119 Ų11969.7 Ų69.756%0.55636%0.362SS*.  trans-120.5152.8-179.8-69.2169.6-166.700109.2R153E98-R153 IonicContact OE1-CZ 3.75Å; E98-R153 IonicContact OE1-NH1 2.97Å; E98-R153 PolarHBondContact OE1-NH1 3.02Å; E98-R153 IonicContact OE1-NH2 3.76Å; E98-R153 IonicContact OE2-NH2 3.24Å
99G65.1Low75.2Confident46 Ų4667.5 Ų67.547%0.47435%0.354SS..SBendtrans92.7-142.8-174.500000112.7N101 E102G99-N101 PolarHBondContact O-N 3.13Å; G99-E102 PolarHBondContact O-N 3Å
100D53Low75.6Confident173 Ų17366.4 Ų66.493%0.92535%0.348SS*.THydrogen-bonded Turntrans-60.1-3.4-176.2-63.9-25.8000115.6
101N58.6Low76Confident68 Ų6865.4 Ų65.436%0.36434%0.341SS..THydrogen-bonded Turntrans-12225.6176.2-72-59.3000112.7L97 G99 G103 K104L97-N101 HydrophobicContact CB-CB 4.19Å; L97-N101 HydrophobicContact CD1-CB 4.19Å; G99-N101 PolarHBondContact O-N 3.13Å; N101-G103 PolarHBondContact O-N 3.47Å; N101-K104 HydrophobicContact CB-CD 4.38Å; N101-K104 PolarHBondContact O-N 3.11Å; N101-K104 VanDerWaalsContact O-N 3.12Å; N101-K104 PolarHBondContact OD1-NZ 2.93Å
102E54.8Low76Confident163 Ų16361.2 Ų61.276%0.76232%0.323SS*.THydrogen-bonded Turntrans-48.9123.9176.4-106-179.3167.100111.8G99G99-E102 PolarHBondContact O-N 3Å
103G60.1Low75.9Confident69 Ų6960.1 Ų60.171%0.71132%0.318SS*.THydrogen-bonded Turntrans94.9-4.6179.700000116N101N101-G103 PolarHBondContact O-N 3.47Å
104K70.6Confident75.5Confident112 Ų11257.5 Ų57.549%0.48732%0.316SS..  trans-90136.1172.6-67.3-178.6-177.2169.90111.8L97 N101L97-K104 HydrophobicContact CD1-CB 4.37Å; L97-K104 PolarHBondContact N-O 3.39Å; L97-K104 VanDerWaalsContact N-O 3.08Å; N101-K104 HydrophobicContact CB-CD 4.38Å; N101-K104 PolarHBondContact O-N 3.11Å; N101-K104 VanDerWaalsContact O-N 3.12Å; N101-K104 PolarHBondContact OD1-NZ 2.93Å
105E79.1Confident74.6Confident107 Ų10755.3 Ų55.350%0.531%0.31SS..EExtended strand (participates in β ladder)trans-89.5137.4173.3-64.1-173.5159.400110.9K94K94-E105 WeakPolarHBondContact CD-OE2 3.48Å; K94-E105 IonicContact NZ-OE2 3.86Å; K94-E105 PolarHBondContact NZ-OE2 2.8Å
106A84.1Confident73.4Confident0 Ų061 Ų610%034%0.335CS..EExtended strand (participates in β ladder)trans-120.7139.6172.200000111.2D9 Y11 K94 F95 L97 M154D9-A106 HydrophobicContact CB-CB 4.19Å; D9-A106 WeakPolarHBondContact O-CA 3.12Å; Y11-A106 HydrophobicContact CD2-CB 3.8Å; Y11-A106 HydrophobicContact CE2-CB 3.61Å; K94-A106 CarbonylContact C-O 3.58Å; K94-A106 WeakPolarHBondContact CA-O 3.49Å; F95-A106 PolarHBondContact N-O 3.47Å; F95-A106 PolarHBondContact O-N 2.95Å; L97-A106 HydrophobicContact CD1-CB 4.14Å; L97-A106 HydrophobicContact CD2-CB 3.91Å; L97-A106 HydrophobicContact CG-CB 4Å; A106-M154 HydrophobicContact CB-CE 4.4Å
107S86.4Confident71.7Confident2 Ų260.6 Ų60.61%0.01433%0.334CS..EExtended strand (participates in β ladder)trans-98.7130.6-178.2-74.40000111.5E8 D9 Y11 K94 F109E8-S107 WeakPolarHBondContact OE1-CB 3.2Å; E8-S107 PolarHBondContact OE1-OG 3.44Å; D9-S107 PolarHBondContact O-N 2.99Å; Y11-S107 PolarHBondContact N-O 3.26Å; K94-S107 WeakPolarHBondContact CG-OG 3.28Å; S107-F109 VanDerWaalsContact CB-CE2 3.48Å
108L88.3Confident70.3Confident1 Ų168.5 Ų68.51%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-95.3125.5172.2-179.163.6000110.2Y11 A13 L53 M92 K93 F95 M154Y11-L108 WeakPolarHBondContact O-CA 3.49Å; A13-L108 HydrophobicContact CB-CD1 4.22Å; L53-L108 HydrophobicContact CD1-CD1 4.1Å; M92-L108 HydrophobicContact CB-CG 4.49Å; M92-L108 WeakPolarHBondContact CB-O 3.42Å; M92-L108 HydrophobicContact CE-CD2 4.34Å; M92-L108 PolarHBondContact N-O 3.42Å; M92-L108 HydrophobicContact SD-CD2 3.61Å; M92-L108 HydrophobicContact SD-CG 4.33Å; K93-L108 PolarHBondContact N-O 2.84Å; K93-L108 WeakPolarHBondContact O-CB 3.4Å; K93-L108 PolarHBondContact O-N 2.98Å; F95-L108 HydrophobicContact CD2-CB 3.99Å; F95-L108 HydrophobicContact CE2-CB 3.58Å; F95-L108 HydrophobicContact CE2-CD2 3.68Å; F95-L108 HydrophobicContact CE2-CG 4.29Å; F95-L108 HydrophobicContact CZ-CD2 4.05Å; L108-M154 HydrophobicContact CD1-CB 4.4Å; L108-M154 HydrophobicContact CD1-SD 4.16Å; L108-M154 HydrophobicContact CD2-CB 4Å; L108-M154 HydrophobicContact CD2-CG 4.24Å
109F88.3Confident69.5Low14 Ų1466.4 Ų66.46%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-116.5144.1174.2-66.7-98.9000110.9V10 Y11 V12 A13 I67 V89 V90 H91 S107V10-F109 HydrophobicContact CG1-CD2 3.52Å; V10-F109 HydrophobicContact CG1-CE2 3.78Å; V10-F109 HydrophobicContact CG2-CE2 4.03Å; Y11-F109 PolarHBondContact O-N 3.49Å; V12-F109 WeakPolarHBondContact CA-O 3.34Å; A13-F109 PolarHBondContact N-O 2.94Å; I67-F109 HydrophobicContact CD1-CB 4.21Å; I67-F109 HydrophobicContact CD1-CD1 3.68Å; I67-F109 HydrophobicContact CD1-CD2 3.8Å; I67-F109 HydrophobicContact CD1-CE1 3.81Å; I67-F109 HydrophobicContact CD1-CE2 3.93Å; I67-F109 HydrophobicContact CD1-CG 3.63Å; I67-F109 HydrophobicContact CD1-CZ 3.93Å; V89-F109 HydrophobicContact CG1-CB 3.97Å; V89-F109 HydrophobicContact CG1-CD1 3.52Å; V89-F109 HydrophobicContact CG1-CE1 4.33Å; V89-F109 HydrophobicContact CG1-CG 4.09Å; V90-F109 CarbonylContact O-C 3.58Å; V90-F109 VanDerWaalsContact O-CA 3.28Å; V90-F109 WeakPolarHBondContact O-CA 3.34Å; H91-F109 VanDerWaalsContact CA-CD1 3.48Å; H91-F109 HydrophobicContact CB-CD1 3.78Å; H91-F109 HydrophobicContact CB-CE1 3.54Å; H91-F109 HydrophobicContact CB-CZ 4.35Å; H91-F109 AromaticContact CD2-CE1 3.58Å; H91-F109 AromaticContact CD2-CE2 3.88Å; H91-F109 AromaticContact CD2-CZ 3.52Å; H91-F109 AromaticContact CG-CE1 3.89Å; S107-F109 VanDerWaalsContact CB-CE2 3.48Å
110V87.9Confident68.8Low0 Ų073.5 Ų73.50%039%0.393CS..EExtended strand (participates in β ladder)trans-106.3128.3176.4178.70000109A13 I15 V90 M92 L158 W161A13-V110 HydrophobicContact CB-CG2 4.48Å; A13-V110 WeakPolarHBondContact O-CA 3.4Å; I15-V110 HydrophobicContact CD1-CG1 3.45Å; I15-V110 VanDerWaalsContact CD1-CG1 3.45Å; I15-V110 HydrophobicContact CG1-CG1 3.72Å; V90-V110 HydrophobicContact CB-CB 4.39Å; V90-V110 PolarHBondContact N-O 3.1Å; V90-V110 PolarHBondContact O-N 2.9Å; M92-V110 HydrophobicContact CB-CG2 4.12Å; M92-V110 HydrophobicContact SD-CG2 4.1Å; V110-L158 HydrophobicContact CG2-CD1 3.77Å; V110-W161 HydrophobicContact CG1-CZ3 4.39Å; V110-W161 HydrophobicContact CG2-CZ3 4.37Å
111V87.1Confident68.8Low0 Ų069.2 Ų69.20%037%0.374CS..EExtended strand (participates in β ladder)trans-117.299.9177.2177.80000108.2V12 A13 V14 I15 I67 L68 V71 V89 V113V12-V111 HydrophobicContact CG1-CB 4.23Å; V12-V111 HydrophobicContact CG1-CG2 3.55Å; A13-V111 PolarHBondContact O-N 3.24Å; V14-V111 WeakPolarHBondContact CA-O 3.43Å; V14-V111 HydrophobicContact CG2-CB 4.3Å; I15-V111 PolarHBondContact N-O 2.81Å; I67-V111 HydrophobicContact CG2-CG2 3.95Å; L68-V111 HydrophobicContact CD2-CG1 4.09Å; L68-V111 HydrophobicContact CD2-CG2 4.49Å; V71-V111 HydrophobicContact CG1-CG1 4.49Å; V71-V111 HydrophobicContact CG2-CG2 4.43Å; V89-V111 HydrophobicContact CG2-CG2 4.25Å; V111-V113 HydrophobicContact CG1-CG1 4.32Å
112P84.3Confident68.6Low9 Ų972.1 Ų72.16%0.05839%0.388CS..EExtended strand (participates in β ladder)trans-75.6132.9177.229.3-31.9000110.6I15 R88 L175 F176I15-P112 HydrophobicContact CG1-CB 4.47Å; I15-P112 WeakPolarHBondContact O-CA 3.38Å; R88-P112 HydrophobicContact CB-CG 4.28Å; P112-L175 HydrophobicContact CB-CD1 4.4Å; P112-L175 HydrophobicContact CB-CG 4.1Å; P112-L175 WeakPolarHBondContact CB-O 3.4Å; P112-L175 HydrophobicContact CG-CD1 4.08Å; P112-L175 HydrophobicContact CG-CG 4.28Å; P112-L175 WeakPolarHBondContact CG-O 3.33Å; P112-F176 HydrophobicContact CB-CD1 3.66Å; P112-F176 HydrophobicContact CB-CE1 3.68Å; P112-F176 HydrophobicContact CB-CG 4.32Å; P112-F176 HydrophobicContact CB-CZ 4.38Å
113V80.9Confident68.6Low10 Ų1069.9 Ų69.96%0.06138%0.378CS..  trans-123.7147.5175.9-550000111.4V14 I15 R16 V111 F130V14-V113 HydrophobicContact CG1-CG1 3.67Å; V14-V113 HydrophobicContact CG1-CG2 4.06Å; I15-V113 PolarHBondContact O-N 3.08Å; R16-V113 HydrophobicContact CB-CG2 3.58Å; R16-V113 WeakPolarHBondContact CB-O 3.43Å; R16-V113 HydrophobicContact CG-CG2 4.47Å; V111-V113 HydrophobicContact CG1-CG1 4.32Å; V113-F130 HydrophobicContact CG2-CE1 4.42Å; V113-F130 HydrophobicContact CG2-CZ 3.99Å
114S71.4Confident68.8Low72 Ų7272 Ų7250%0.50337%0.371SS..  trans-75.5152.3-177178.60000112.2K116S114-K116 PolarHBondContact O-N 3.28Å
115V66.8Low68.4Low51 Ų5170 Ų7031%0.30937%0.372SS..  trans-8090167.5-162.50000108.3P17P17-V115 HydrophobicContact CB-CG2 4.22Å; P17-V115 HydrophobicContact CG-CG2 3.58Å; P17-V115 WeakPolarHBondContact O-CG2 3.49Å
116K55.7Low67.8Low146 Ų14665.9 Ų65.964%0.63536%0.357SS*.  trans-131.8131.2160.6-74.4-166.5175.3-1740108.9F84 S114F84-K116 WeakPolarHBondContact CE1-O 3.47Å; F84-K116 WeakPolarHBondContact CZ-O 3.48Å; S114-K116 PolarHBondContact O-N 3.28Å
117D44Very low67.2Low102 Ų10267 Ų6755%0.54537%0.365SS..  trans72.8113.2173.5-60.3-14000119.9Q82 S119Q82-D117 PolarHBondContact OE1-OD2 3.45Å; D117-S119 PolarHBondContact O-N 3.25Å
118N45.9Very low66.8Low175 Ų17567.3 Ų67.394%0.93637%0.368SS*.  trans-69.850.1166-87.4-21000111.6K120N118-K120 PolarHBondContact O-N 2.87Å
119S47.5Very low66.5Low74 Ų7468 Ų6852%0.51737%0.372SS..  trans-75116.2168.860.10000108.4D117 P121D117-S119 PolarHBondContact O-N 3.25Å; S119-P121 VanDerWaalsContact O-CD 3.3Å; S119-P121 WeakPolarHBondContact O-CD 3.29Å; S119-P121 VanDerWaalsContact O-N 3.11Å
120K49.1Very low66.3Low196 Ų19669.8 Ų69.885%0.85238%0.38SS*.  trans-56.5116172.1-70.8-179.3179.6178.50108.1N118 I122N118-K120 PolarHBondContact O-N 2.87Å; K120-I122 PolarHBondContact O-N 3.33Å
121P53.2Low66.2Low82 Ų8271.8 Ų71.853%0.53239%0.388SS..  trans-64.4132-178.924.6-31.1000109.3S119 H123S119-P121 VanDerWaalsContact O-CD 3.3Å; S119-P121 WeakPolarHBondContact O-CD 3.29Å; S119-P121 VanDerWaalsContact O-N 3.11Å; P121-H123 PolarHBondContact O-N 3.06Å; P121-H123 VanDerWaalsContact O-N 3.14Å
122I54.3Low66.3Low129 Ų12972.6 Ų72.666%0.66239%0.394SS*.  trans-71.6106.2168.6-60.4171.9000106K120 I124K120-I122 PolarHBondContact O-N 3.33Å; I122-I124 PolarHBondContact O-N 2.89Å; I122-I124 VanDerWaalsContact O-N 3.12Å
123H55.6Low66.6Low117 Ų11772.3 Ų72.354%0.54239%0.391SS..  trans-76.8101.6-173.7-171.9-72.3000111.1P121P121-H123 PolarHBondContact O-N 3.06Å; P121-H123 VanDerWaalsContact O-N 3.14Å
124I64.6Low67Low112 Ų11275.1 Ų75.157%0.57440%0.404SS*.  trans-96.1128.4169.1-57.7171.9000108.1I122 G126 S127I122-I124 PolarHBondContact O-N 2.89Å; I122-I124 VanDerWaalsContact O-N 3.12Å; I124-G126 PolarHBondContact O-N 3.44Å; I124-S127 WeakPolarHBondContact O-CB 3.4Å; I124-S127 PolarHBondContact O-N 2.87Å; I124-S127 PolarHBondContact O-OG 3.47Å
125S61.8Low67.8Low72 Ų7275.5 Ų75.550%0.50340%0.4SS..THydrogen-bonded Turntrans-59.6122-177.3-1680000111.7R49R49-S125 PolarHBondContact NE-OG 2.9Å; R49-S125 PolarHBondContact NH2-OG 3.5Å
126G66.3Low68.8Low19 Ų1973.4 Ų73.420%0.19639%0.387CS..THydrogen-bonded Turntrans94.5-4.4-176.500000115.5R49 I124R49-G126 VanDerWaalsContact NH1-CA 3.29Å; I124-G126 PolarHBondContact O-N 3.44Å
127S70.9Confident70.4Confident23 Ų2368.2 Ų68.216%0.16137%0.366CS..SBendtrans-76.5144.2171.163.90000111.6I124I124-S127 WeakPolarHBondContact O-CB 3.4Å; I124-S127 PolarHBondContact O-N 2.87Å; I124-S127 PolarHBondContact O-OG 3.47Å
128P79.1Confident72.4Confident10 Ų1071.7 Ų71.77%0.06537%0.371CS..  trans-56.5138171.3-24.430000112.9L36 L37 K38 L54 T74 I78L36-P128 HydrophobicContact CD1-CB 3.98Å; L36-P128 HydrophobicContact CD2-CB 4.12Å; L36-P128 HydrophobicContact CG-CB 3.95Å; L37-P128 CarbonylContact O-C 3.58Å; L37-P128 VanDerWaalsContact O-CA 3.28Å; L37-P128 WeakPolarHBondContact O-CA 3.45Å; K38-P128 HydrophobicContact CB-CG 4.31Å; K38-P128 HydrophobicContact CG-CG 4.34Å; L54-P128 HydrophobicContact CD2-CB 4.42Å; L54-P128 HydrophobicContact CD2-CG 4.14Å; T74-P128 HydrophobicContact CG2-CG 3.72Å; I78-P128 HydrophobicContact CD1-CB 3.9Å; I78-P128 HydrophobicContact CD1-CG 4.15Å; I78-P128 WeakPolarHBondContact CD1-O 3.4Å
129S80.9Confident74Confident14 Ų1466.9 Ų66.910%0.09835%0.348CS..EExtended strand (participates in β ladder)trans-139.9148.4-180-740000111.8L36 L37 Y131L36-S129 WeakPolarHBondContact CA-O 3.49Å; L37-S129 PolarHBondContact N-O 2.97Å; L37-S129 PolarHBondContact O-N 3.48Å; S129-Y131 WeakPolarHBondContact O-CD2 3.44Å; S129-Y131 WeakPolarHBondContact O-CE2 3.35Å
130F85Confident75.8Confident52 Ų5263.9 Ų63.923%0.22833%0.327CS..EExtended strand (participates in β ladder)trans-80.2130175.9-79.7-79000110.3V14 R16 E34 I35 L36 V113V14-F130 HydrophobicContact CG1-CE1 4.38Å; V14-F130 HydrophobicContact CG1-CZ 4.15Å; R16-F130 HydrophobicContact CB-CE1 4.4Å; R16-F130 HydrophobicContact CG-CD1 3.97Å; R16-F130 HydrophobicContact CG-CE1 3.82Å; R16-F130 HydrophobicContact CG-CZ 4.42Å; R16-F130 VanDerWaalsContact CZ-CD2 3.42Å; E34-F130 HydrophobicContact CB-CB 4.31Å; E34-F130 HydrophobicContact CB-CD1 4.09Å; I35-F130 WeakPolarHBondContact O-CA 3.38Å; L36-F130 HydrophobicContact CB-CD1 4.12Å; L36-F130 HydrophobicContact CB-CE1 3.83Å; L36-F130 HydrophobicContact CB-CZ 4.1Å; L36-F130 HydrophobicContact CD1-CD1 4.38Å; L36-F130 HydrophobicContact CD1-CD2 3.74Å; L36-F130 HydrophobicContact CD1-CE1 4.36Å; L36-F130 HydrophobicContact CD1-CE2 3.73Å; L36-F130 HydrophobicContact CD1-CG 4.07Å; L36-F130 HydrophobicContact CD1-CZ 4.04Å; V113-F130 HydrophobicContact CG2-CE1 4.42Å; V113-F130 HydrophobicContact CG2-CZ 3.99Å
131Y85.9Confident77.2Confident42 Ų4256.8 Ų56.817%0.16530%0.302CS..EExtended strand (participates in β ladder)trans-119.5144.2175.2-59.7-85.5000110.1E34 I35 L37 E39 K51 S129 F133 I136E34-Y131 CarbonylContact C-O 3.55Å; E34-Y131 WeakPolarHBondContact CA-O 3.43Å; I35-Y131 PolarHBondContact N-O 3.43Å; I35-Y131 PolarHBondContact O-N 3.35Å; L37-Y131 HydrophobicContact CB-CD2 3.91Å; L37-Y131 HydrophobicContact CB-CE2 3.92Å; L37-Y131 HydrophobicContact CD1-CD2 4.06Å; L37-Y131 HydrophobicContact CG-CD2 4.25Å; E39-Y131 PolarHBondContact OE1-OH 3.15Å; K51-Y131 HydrophobicContact CD-CD2 4.44Å; K51-Y131 HydrophobicContact CD-CE1 4.35Å; K51-Y131 HydrophobicContact CD-CE2 4.05Å; K51-Y131 VanDerWaalsContact CE-CZ 3.49Å; S129-Y131 WeakPolarHBondContact O-CD2 3.44Å; S129-Y131 WeakPolarHBondContact O-CE2 3.35Å; Y131-F133 PolarHBondContact O-N 3.4Å; Y131-I136 HydrophobicContact CG-CD1 4.22Å
132C88.6Confident77.9Confident18 Ų1858.8 Ų58.812%0.12230%0.304CS..EExtended strand (participates in β ladder)trans-55.7121.2170.9173.90000110K18 Q134 D135 I136K18-C132 PolarHBondContact NZ-SG 3.24Å; C132-Q134 VanDerWaalsContact C-N 3.3Å; C132-Q134 PolarHBondContact O-N 3.42Å; C132-D135 HydrophobicContact CB-CB 4.2Å; C132-D135 WeakPolarHBondContact CB-OD2 3.47Å; C132-D135 PolarHBondContact O-N 3.02Å; C132-D135 VanDerWaalsContact O-N 3.08Å; C132-D135 PolarHBondContact SG-OD2 3.45Å; C132-I136 PolarHBondContact O-N 3.35Å
133F90.9Very high78.6Confident2 Ų259 Ų591%0.00931%0.311CS..Hα-helixtrans-65.1-35.7-173.1-169.5-126.7000111.8Y28 A30 Y33 I35 Y131 D135 I136 M137 L155 L158 D159 L162Y28-F133 WeakPolarHBondContact OH-CE1 3.48Å; A30-F133 HydrophobicContact CB-CD1 3.99Å; Y33-F133 WeakPolarHBondContact O-CB 3.26Å; Y33-F133 PolarHBondContact O-N 2.98Å; I35-F133 HydrophobicContact CB-CD2 4.2Å; I35-F133 HydrophobicContact CD1-CE2 4.33Å; I35-F133 HydrophobicContact CG2-CD2 3.76Å; I35-F133 HydrophobicContact CG2-CE2 4.45Å; Y131-F133 PolarHBondContact O-N 3.4Å; F133-D135 VanDerWaalsContact C-N 3.32Å; F133-D135 PolarHBondContact O-N 3.18Å; F133-I136 WeakPolarHBondContact O-CB 3.49Å; F133-I136 PolarHBondContact O-N 2.96Å; F133-M137 HydrophobicContact CD1-CG 4.33Å; F133-M137 HydrophobicContact CD2-CG 4.46Å; F133-M137 HydrophobicContact CD2-SD 4.46Å; F133-M137 HydrophobicContact CE1-CG 4.14Å; F133-M137 HydrophobicContact CE1-SD 4.36Å; F133-M137 HydrophobicContact CE2-CG 4.29Å; F133-M137 HydrophobicContact CE2-SD 3.82Å; F133-M137 HydrophobicContact CG-CG 4.49Å; F133-M137 HydrophobicContact CZ-CG 4.13Å; F133-M137 HydrophobicContact CZ-SD 3.76Å; F133-M137 VanDerWaalsContact O-CG 3.31Å; F133-M137 WeakPolarHBondContact O-CG 3.42Å; F133-M137 PolarHBondContact O-N 3.24Å; F133-L155 HydrophobicContact CE2-CD2 4.21Å; F133-L158 HydrophobicContact CE2-CD2 4.36Å; F133-L158 HydrophobicContact CZ-CD2 4.31Å; F133-L158 HydrophobicContact CZ-CG 4.32Å; F133-D159 HydrophobicContact CE1-CB 3.82Å; F133-D159 WeakPolarHBondContact CE1-OD1 3.3Å; F133-D159 HydrophobicContact CZ-CB 3.83Å; F133-L162 HydrophobicContact CD1-CD1 4.5Å; F133-L162 HydrophobicContact CE1-CD1 4.09Å
134Q90.4Very high79.5Confident70 Ų7054 Ų5433%0.32729%0.29SS..Hα-helixtrans-58.7-40.2172.8-179.2172.843.600113.3A30 K31 C132 I136 M137 R138A30-Q134 HydrophobicContact CB-CB 4.18Å; K31-Q134 HydrophobicContact CB-CB 3.97Å; K31-Q134 HydrophobicContact CB-CG 4.48Å; C132-Q134 VanDerWaalsContact C-N 3.3Å; C132-Q134 PolarHBondContact O-N 3.42Å; Q134-I136 VanDerWaalsContact C-N 3.32Å; Q134-M137 PolarHBondContact O-N 2.91Å; Q134-R138 WeakPolarHBondContact O-CG 3.49Å; Q134-R138 PolarHBondContact O-N 3.45Å; Q134-R138 VanDerWaalsContact O-N 3.08Å
135D87Confident79.8Confident80 Ų8053 Ų5343%0.42829%0.291SS..Hα-helixtrans-71.8-32.3-178.8-64.3-42.7000111.3C132 F133 R138 V139C132-D135 HydrophobicContact CB-CB 4.2Å; C132-D135 WeakPolarHBondContact CB-OD2 3.47Å; C132-D135 PolarHBondContact O-N 3.02Å; C132-D135 VanDerWaalsContact O-N 3.08Å; C132-D135 PolarHBondContact SG-OD2 3.45Å; F133-D135 VanDerWaalsContact C-N 3.32Å; F133-D135 PolarHBondContact O-N 3.18Å; D135-R138 IonicContact OD1-CZ 3.9Å; D135-R138 IonicContact OD1-NH1 3.38Å; D135-R138 PolarHBondContact OD1-NH1 3.37Å; D135-R138 VanDerWaalsContact OD1-NH1 3.1Å; D135-V139 WeakPolarHBondContact O-CG2 3.44Å
136I88.8Confident80.4Confident7 Ų754.9 Ų54.94%0.03629%0.291CS..Hα-helixtrans-62.9-51.4169.2-60.5-60.2000110.1I35 L37 Y131 C132 F133 Q134 R138 V139 C140 F147 L155I35-I136 HydrophobicContact CG2-CG1 4.35Å; L37-I136 HydrophobicContact CD1-CD1 3.76Å; L37-I136 HydrophobicContact CD1-CG1 4.23Å; Y131-I136 HydrophobicContact CG-CD1 4.22Å; C132-I136 PolarHBondContact O-N 3.35Å; F133-I136 WeakPolarHBondContact O-CB 3.49Å; F133-I136 PolarHBondContact O-N 2.96Å; Q134-I136 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.02Å; I136-V139 WeakPolarHBondContact O-CG2 3.4Å; I136-V139 PolarHBondContact O-N 2.96Å; I136-C140 HydrophobicContact CG2-CB 4.33Å; I136-C140 WeakPolarHBondContact O-CB 3.17Å; I136-C140 PolarHBondContact O-N 3.27Å; I136-F147 HydrophobicContact CD1-CE1 4.03Å; I136-F147 HydrophobicContact CD1-CZ 3.78Å; I136-F147 HydrophobicContact CG2-CE1 4.04Å; I136-F147 HydrophobicContact CG2-CZ 3.81Å; I136-L155 HydrophobicContact CG2-CD1 3.86Å
137M89.1Confident81.2Confident37 Ų3754.2 Ų54.218%0.18228%0.283CS..Hα-helixtrans-64.2-23.1-176.7-63.4-43.5-6500113.9F133 Q134 V139 C140 L156 D159F133-M137 HydrophobicContact CD1-CG 4.33Å; F133-M137 HydrophobicContact CD2-CG 4.46Å; F133-M137 HydrophobicContact CD2-SD 4.46Å; F133-M137 HydrophobicContact CE1-CG 4.14Å; F133-M137 HydrophobicContact CE1-SD 4.36Å; F133-M137 HydrophobicContact CE2-CG 4.29Å; F133-M137 HydrophobicContact CE2-SD 3.82Å; F133-M137 HydrophobicContact CG-CG 4.49Å; F133-M137 HydrophobicContact CZ-CG 4.13Å; F133-M137 HydrophobicContact CZ-SD 3.76Å; F133-M137 VanDerWaalsContact O-CG 3.31Å; F133-M137 WeakPolarHBondContact O-CG 3.42Å; F133-M137 PolarHBondContact O-N 3.24Å; Q134-M137 PolarHBondContact O-N 2.91Å; M137-V139 VanDerWaalsContact C-N 3.31Å; M137-V139 PolarHBondContact O-N 3.01Å; M137-C140 HydrophobicContact SD-CB 4.42Å; M137-L156 HydrophobicContact CE-CD2 3.59Å; M137-L156 HydrophobicContact CE-CG 4.28Å; M137-D159 HydrophobicContact CE-CB 3.71Å; M137-D159 HydrophobicContact CG-CB 4.47Å; M137-D159 HydrophobicContact SD-CB 4.14Å
138R84.6Confident81.6Confident175 Ų17555.1 Ų55.166%0.6629%0.288SS*.Hα-helixtrans-66.2-29.8173.6-78.1172.9175.2172.6-8.4114Q134 D135 I136Q134-R138 WeakPolarHBondContact O-CG 3.49Å; Q134-R138 PolarHBondContact O-N 3.45Å; Q134-R138 VanDerWaalsContact O-N 3.08Å; D135-R138 IonicContact OD1-CZ 3.9Å; D135-R138 IonicContact OD1-NH1 3.38Å; D135-R138 PolarHBondContact OD1-NH1 3.37Å; D135-R138 VanDerWaalsContact OD1-NH1 3.1Å; I136-R138 PolarHBondContact O-N 3.02Å
139V80.6Confident81.6Confident74 Ų7457 Ų5745%0.44830%0.302SS..Hα-helixtrans-119.2-0.4-175.1-65.80000113.1D135 I136 M137 S141 S144 F147D135-V139 WeakPolarHBondContact O-CG2 3.44Å; I136-V139 WeakPolarHBondContact O-CG2 3.4Å; I136-V139 PolarHBondContact O-N 2.96Å; M137-V139 VanDerWaalsContact C-N 3.31Å; M137-V139 PolarHBondContact O-N 3.01Å; V139-S141 PolarHBondContact O-N 2.99Å; V139-S144 WeakPolarHBondContact O-CB 3.36Å; V139-S144 PolarHBondContact O-OG 2.74Å; V139-F147 HydrophobicContact CG2-CE2 3.88Å; V139-F147 HydrophobicContact CG2-CZ 4.33Å
140C84.8Confident81.8Confident11 Ų1157.5 Ų57.57%0.07430%0.304CS..  trans-83.1103.3178-173.40000109.7I136 M137 F147I136-C140 HydrophobicContact CG2-CB 4.33Å; I136-C140 WeakPolarHBondContact O-CB 3.17Å; I136-C140 PolarHBondContact O-N 3.27Å; M137-C140 HydrophobicContact SD-CB 4.42Å; C140-F147 HydrophobicContact CB-CE2 4.43Å
141S78.7Confident81.9Confident46 Ų4655 Ų5532%0.32229%0.294SS..  trans-129.1160.7166.867.30000109.1V139 T143 S144 S152V139-S141 PolarHBondContact O-N 2.99Å; S141-T143 PolarHBondContact O-N 2.92Å; S141-T143 PolarHBondContact OG-OG1 3.28Å; S141-S144 VanDerWaalsContact O-CB 3.25Å; S141-S144 WeakPolarHBondContact O-CB 3.44Å; S141-S144 PolarHBondContact O-N 2.8Å; S141-S144 PolarHBondContact OG-N 3.14Å; S141-S144 VanDerWaalsContact OG-N 3.12Å; S141-S152 WeakPolarHBondContact O-CB 3.11Å; S141-S152 PolarHBondContact O-OG 2.89Å
142E68.1Low82Confident125 Ų12553 Ų5358%0.58429%0.286SS*.THydrogen-bonded Turntrans-59.7-24.9174.7-65.1-177.2167.300112.1R153 L156E142-R153 HydrophobicContact CG-CG 4.3Å; E142-L156 HydrophobicContact CG-CD1 4.33Å
143T69.3Low81.9Confident133 Ų13354.1 Ų54.182%0.81629%0.287SS*.THydrogen-bonded Turntrans-96.85.2178.554.80000114.1S141S141-T143 PolarHBondContact O-N 2.92Å; S141-T143 PolarHBondContact OG-OG1 3.28Å
144S73.9Confident81.9Confident12 Ų1254 Ų548%0.08429%0.287CS..  trans-67.1131.1-171.7-175.90000112.1V139 S141 H146V139-S144 WeakPolarHBondContact O-CB 3.36Å; V139-S144 PolarHBondContact O-OG 2.74Å; S141-S144 VanDerWaalsContact O-CB 3.25Å; S141-S144 WeakPolarHBondContact O-CB 3.44Å; S141-S144 PolarHBondContact O-N 2.8Å; S141-S144 PolarHBondContact OG-N 3.14Å; S141-S144 VanDerWaalsContact OG-N 3.12Å; S144-H146 PolarHBondContact O-N 2.94Å; S144-H146 PolarHBondContact OG-N 3.46Å
145P70.4Confident81.9Confident92 Ų9250.7 Ų50.760%0.59727%0.272SS*.THydrogen-bonded Turntrans-72.5-9.5175.831-35.2000112.7K50K50-P145 WeakPolarHBondContact CE-O 3.45Å
146H76.3Confident82.1Confident111 Ų11150 Ų5051%0.51427%0.267SS..THydrogen-bonded Turntrans-92-20.4-174.7-61.8-67.6000114.2K50 K51 S144K50-H146 WeakPolarHBondContact CA-O 3.31Å; K51-H146 PolarHBondContact N-O 3.1Å; S144-H146 PolarHBondContact O-N 2.94Å; S144-H146 PolarHBondContact OG-N 3.46Å
147F82.3Confident82.1Confident5 Ų550.8 Ų50.82%0.02228%0.275CS..BIsolated β-bridgetrans-125.2162-178-57-82.8000110.6L37 K51 I136 V139 C140 T151 S152 L155L37-F147 HydrophobicContact CD1-CE1 4.02Å; K51-F147 HydrophobicContact CB-CD1 3.91Å; K51-F147 HydrophobicContact CB-CE1 3.79Å; K51-F147 HydrophobicContact CD-CE1 4.3Å; I136-F147 HydrophobicContact CD1-CE1 4.03Å; I136-F147 HydrophobicContact CD1-CZ 3.78Å; I136-F147 HydrophobicContact CG2-CE1 4.04Å; I136-F147 HydrophobicContact CG2-CZ 3.81Å; V139-F147 HydrophobicContact CG2-CE2 3.88Å; V139-F147 HydrophobicContact CG2-CZ 4.33Å; C140-F147 HydrophobicContact CB-CE2 4.43Å; F147-T151 HydrophobicContact CD1-CG2 4.34Å; F147-S152 WeakPolarHBondContact CB-OG 3.34Å; F147-L155 HydrophobicContact CD1-CD1 4.25Å; F147-L155 HydrophobicContact CE1-CD1 4.4Å
148C78.6Confident82.2Confident41 Ų4149.1 Ų49.128%0.27727%0.267SS..  trans-83.3148.8165.671.50000110.1V52 V150 T151 S152V52-C148 HydrophobicContact CG1-CB 4.37Å; C148-V150 VanDerWaalsContact C-N 3.3Å; C148-V150 PolarHBondContact O-N 3.25Å; C148-T151 PolarHBondContact O-N 3.23Å; C148-T151 WeakPolarHBondContact SG-CB 3.23Å; C148-T151 PolarHBondContact SG-N 2.89Å; C148-T151 VanDerWaalsContact SG-N 3.44Å; C148-T151 PolarHBondContact SG-OG1 3.11Å; C148-S152 PolarHBondContact O-N 3.44Å; C148-S152 PolarHBondContact O-OG 3.36Å
149S80.3Confident82.6Confident51 Ų5142.8 Ų42.836%0.35725%0.246SC..Hα-helixtrans-53.2-44.7-175.8169.10000112.6T151 S152 R153S149-T151 PolarHBondContact O-N 2.96Å; S149-S152 PolarHBondContact O-N 3.27Å; S149-R153 PolarHBondContact O-N 3.17Å
150V84.4Confident83Confident23 Ų2345.6 Ų45.614%0.13925%0.252CS..Hα-helixtrans-61.5-43.6177.2179.60000111.8Y11 L97 C148 R153 M154Y11-V150 HydrophobicContact CE1-CG1 3.99Å; L97-V150 HydrophobicContact CD2-CG1 3.89Å; L97-V150 HydrophobicContact CD2-CG2 4.08Å; C148-V150 VanDerWaalsContact C-N 3.3Å; C148-V150 PolarHBondContact O-N 3.25Å; V150-R153 PolarHBondContact O-N 3.5Å; V150-M154 HydrophobicContact CG1-CE 3.73Å; V150-M154 HydrophobicContact CG1-SD 4.05Å; V150-M154 WeakPolarHBondContact O-CG 3.32Å; V150-M154 PolarHBondContact O-N 2.98Å
151T87.1Confident83.3Confident1 Ų146.7 Ų46.71%0.00626%0.255CS..Hα-helixtrans-63.8-44.4175.2-71.30000110.8L53 F147 C148 S149 R153 M154 L155L53-T151 HydrophobicContact CG-CG2 4.11Å; L53-T151 PolarHBondContact N-OG1 3.28Å; F147-T151 HydrophobicContact CD1-CG2 4.34Å; C148-T151 PolarHBondContact O-N 3.23Å; C148-T151 WeakPolarHBondContact SG-CB 3.23Å; C148-T151 PolarHBondContact SG-N 2.89Å; C148-T151 VanDerWaalsContact SG-N 3.44Å; C148-T151 PolarHBondContact SG-OG1 3.11Å; S149-T151 PolarHBondContact O-N 2.96Å; T151-R153 PolarHBondContact O-N 3.35Å; T151-M154 PolarHBondContact O-N 3.17Å; T151-L155 HydrophobicContact CG2-CD1 3.53Å; T151-L155 HydrophobicContact CG2-CG 4Å; T151-L155 WeakPolarHBondContact O-CB 3.33Å; T151-L155 WeakPolarHBondContact O-CG 3.46Å; T151-L155 PolarHBondContact O-N 3.09Å
152S87.5Confident83.7Confident0 Ų044.5 Ų44.50%024%0.24CC..Hα-helixtrans-57.8-47177.4-65.10000112.1S141 F147 C148 S149 M154 L155 L156S141-S152 WeakPolarHBondContact O-CB 3.11Å; S141-S152 PolarHBondContact O-OG 2.89Å; F147-S152 WeakPolarHBondContact CB-OG 3.34Å; C148-S152 PolarHBondContact O-N 3.44Å; C148-S152 PolarHBondContact O-OG 3.36Å; S149-S152 PolarHBondContact O-N 3.27Å; S152-M154 PolarHBondContact O-N 2.88Å; S152-L155 PolarHBondContact O-N 3.46Å; S152-L156 WeakPolarHBondContact O-CG 3.35Å; S152-L156 PolarHBondContact O-N 3.12Å
153R87.3Confident84.6Confident40 Ų4040.1 Ų40.115%0.15123%0.225CC..Hα-helixtrans-60.7-44.5177.8-73.8-169.8-72.1148.8-1112.1I96 E98 E142 S149 V150 T151 A157I96-R153 PolarHBondContact O-NH1 2.96Å; I96-R153 VanDerWaalsContact O-NH1 3.1Å; I96-R153 PolarHBondContact O-NH2 3.41Å; I96-R153 VanDerWaalsContact O-NH2 3.17Å; E98-R153 IonicContact OE1-CZ 3.75Å; E98-R153 IonicContact OE1-NH1 2.97Å; E98-R153 PolarHBondContact OE1-NH1 3.02Å; E98-R153 IonicContact OE1-NH2 3.76Å; E98-R153 IonicContact OE2-NH2 3.24Å; E142-R153 HydrophobicContact CG-CG 4.3Å; S149-R153 PolarHBondContact O-N 3.17Å; V150-R153 PolarHBondContact O-N 3.5Å; T151-R153 PolarHBondContact O-N 3.35Å; R153-A157 WeakPolarHBondContact O-CB 3.24Å; R153-A157 PolarHBondContact O-N 3.44Å
154M90.9Very high85.4Confident1 Ų138 Ų381%0.00521%0.206CC..Hα-helixtrans-66.8-38.1178.2-72.6177.617700112.6Y11 L53 F95 A106 L108 V150 T151 S152 A157 L158Y11-M154 VanDerWaalsContact CB-SD 3.57Å; Y11-M154 HydrophobicContact CD1-CE 4.11Å; Y11-M154 HydrophobicContact CD1-SD 3.58Å; Y11-M154 VanDerWaalsContact CD1-SD 3.58Å; Y11-M154 HydrophobicContact CD2-CE 3.57Å; Y11-M154 HydrophobicContact CD2-SD 4.08Å; Y11-M154 HydrophobicContact CE1-SD 4.28Å; Y11-M154 HydrophobicContact CE2-CE 4.01Å; Y11-M154 HydrophobicContact CG-CE 3.62Å; Y11-M154 HydrophobicContact CG-SD 3.46Å; L53-M154 HydrophobicContact CD1-CB 3.65Å; L53-M154 HydrophobicContact CD1-CG 4.47Å; L53-M154 HydrophobicContact CD1-SD 4.04Å; F95-M154 HydrophobicContact CB-CE 3.78Å; F95-M154 HydrophobicContact CD1-CG 4.12Å; F95-M154 HydrophobicContact CD2-CE 3.74Å; F95-M154 HydrophobicContact CD2-CG 3.91Å; F95-M154 HydrophobicContact CE1-CG 4.11Å; F95-M154 HydrophobicContact CE2-CG 3.93Å; F95-M154 HydrophobicContact CG-CE 3.83Å; F95-M154 HydrophobicContact CG-CG 4.02Å; F95-M154 HydrophobicContact CZ-CG 4.02Å; A106-M154 HydrophobicContact CB-CE 4.4Å; L108-M154 HydrophobicContact CD1-CB 4.4Å; L108-M154 HydrophobicContact CD1-SD 4.16Å; L108-M154 HydrophobicContact CD2-CB 4Å; L108-M154 HydrophobicContact CD2-CG 4.24Å; V150-M154 HydrophobicContact CG1-CE 3.73Å; V150-M154 HydrophobicContact CG1-SD 4.05Å; V150-M154 WeakPolarHBondContact O-CG 3.32Å; V150-M154 PolarHBondContact O-N 2.98Å; T151-M154 PolarHBondContact O-N 3.17Å; S152-M154 PolarHBondContact O-N 2.88Å; M154-A157 PolarHBondContact O-N 2.9Å; M154-L158 WeakPolarHBondContact O-CB 3.4Å; M154-L158 PolarHBondContact O-N 2.72Å
155L90.8Very high85.8Confident0 Ų038.3 Ų38.30%021%0.206CC..Hα-helixtrans-67.6-41.4176.8-69.8172.8000112.4I35 L53 F133 I136 F147 T151 S152 A157 L158 D159I35-L155 HydrophobicContact CD1-CD2 3.49Å; I35-L155 VanDerWaalsContact CD1-CD2 3.49Å; L53-L155 HydrophobicContact CD2-CD2 4.14Å; F133-L155 HydrophobicContact CE2-CD2 4.21Å; I136-L155 HydrophobicContact CG2-CD1 3.86Å; F147-L155 HydrophobicContact CD1-CD1 4.25Å; F147-L155 HydrophobicContact CE1-CD1 4.4Å; T151-L155 HydrophobicContact CG2-CD1 3.53Å; T151-L155 HydrophobicContact CG2-CG 4Å; T151-L155 WeakPolarHBondContact O-CB 3.33Å; T151-L155 WeakPolarHBondContact O-CG 3.46Å; T151-L155 PolarHBondContact O-N 3.09Å; S152-L155 PolarHBondContact O-N 3.46Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-L158 PolarHBondContact O-N 2.94Å; L155-D159 PolarHBondContact O-N 3.35Å
156L90.4Very high86.4Confident64 Ų6434.6 Ų34.634%0.33518%0.181SC..Hα-helixtrans-62.7-41.4174.2-73163.7000111.7M137 E142 S152 D159 K160M137-L156 HydrophobicContact CE-CD2 3.59Å; M137-L156 HydrophobicContact CE-CG 4.28Å; E142-L156 HydrophobicContact CG-CD1 4.33Å; S152-L156 WeakPolarHBondContact O-CG 3.35Å; S152-L156 PolarHBondContact O-N 3.12Å; L156-D159 PolarHBondContact O-N 2.94Å; L156-K160 PolarHBondContact O-N 3.45Å
157A89.6Confident86.5Confident25 Ų2534.7 Ų34.721%0.20719%0.189CC..Hα-helixtrans-63.9-42.217500000111.7M92 F95 R153 M154 L155 K160 W161M92-A157 VanDerWaalsContact CE-C 3.46Å; M92-A157 HydrophobicContact CE-CB 3.9Å; M92-A157 VanDerWaalsContact CE-O 3.31Å; M92-A157 WeakPolarHBondContact CE-O 3.16Å; F95-A157 HydrophobicContact CE1-CB 3.87Å; F95-A157 HydrophobicContact CZ-CB 3.57Å; R153-A157 WeakPolarHBondContact O-CB 3.24Å; R153-A157 PolarHBondContact O-N 3.44Å; M154-A157 PolarHBondContact O-N 2.9Å; L155-A157 VanDerWaalsContact C-N 3.34Å; A157-K160 PolarHBondContact O-N 3.11Å; A157-W161 WeakPolarHBondContact O-CB 3.47Å; A157-W161 PolarHBondContact O-N 3.41Å
158L91.4Very high86.1Confident1 Ų136 Ų361%0.00520%0.197CC..Hα-helixtrans-62-41.6177.5-179.964.6000112.3A13 I15 I35 M92 V110 F133 M154 L155 W161 L162A13-L158 HydrophobicContact CB-CD2 3.84Å; I15-L158 HydrophobicContact CG2-CD2 3.99Å; I35-L158 HydrophobicContact CD1-CD2 3.51Å; M92-L158 HydrophobicContact SD-CD1 4.04Å; V110-L158 HydrophobicContact CG2-CD1 3.77Å; F133-L158 HydrophobicContact CE2-CD2 4.36Å; F133-L158 HydrophobicContact CZ-CD2 4.31Å; F133-L158 HydrophobicContact CZ-CG 4.32Å; M154-L158 WeakPolarHBondContact O-CB 3.4Å; M154-L158 PolarHBondContact O-N 2.72Å; L155-L158 PolarHBondContact O-N 2.94Å; L158-W161 HydrophobicContact CD1-CE3 4.05Å; L158-W161 PolarHBondContact O-N 2.64Å; L158-L162 HydrophobicContact CD1-CD1 4.41Å; L158-L162 HydrophobicContact CD1-CG 4.31Å; L158-L162 HydrophobicContact CG-CD1 4.24Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 3.32Å
159D92.1Very high85.5Confident42 Ų4237.6 Ų37.623%0.22521%0.207CC..Hα-helixtrans-59.8-47.2176.7-176.363000111.7Y28 F133 M137 L155 L156 L162 A163Y28-D159 WeakPolarHBondContact CE1-OD1 3.41Å; Y28-D159 PolarHBondContact OH-OD1 2.85Å; F133-D159 HydrophobicContact CE1-CB 3.82Å; F133-D159 WeakPolarHBondContact CE1-OD1 3.3Å; F133-D159 HydrophobicContact CZ-CB 3.83Å; M137-D159 HydrophobicContact CE-CB 3.71Å; M137-D159 HydrophobicContact CG-CB 4.47Å; M137-D159 HydrophobicContact SD-CB 4.14Å; L155-D159 PolarHBondContact O-N 3.35Å; L156-D159 PolarHBondContact O-N 2.94Å; D159-L162 PolarHBondContact O-N 3.39Å; D159-A163 PolarHBondContact O-N 2.81Å; D159-A163 VanDerWaalsContact O-N 3.08Å
160K89.1Confident84.7Confident134 Ų13441.8 Ų41.858%0.58322%0.221SC*.Hα-helixtrans-63.1-44175.2-172.7179.4178.2-177.50112L156 A157 L162 A163 E164L156-K160 PolarHBondContact O-N 3.45Å; A157-K160 PolarHBondContact O-N 3.11Å; K160-L162 PolarHBondContact O-N 3.32Å; K160-A163 WeakPolarHBondContact O-CB 3.36Å; K160-A163 PolarHBondContact O-N 2.86Å; K160-E164 VanDerWaalsContact CE-OE1 3.28Å; K160-E164 WeakPolarHBondContact CE-OE1 3.39Å; K160-E164 WeakPolarHBondContact O-CG 3.37Å; K160-E164 PolarHBondContact O-N 3.19Å
161W90.1Very high84.2Confident33 Ų3341 Ų4113%0.12522%0.217CC..Hα-helixtrans-63.3-41.8179.6-179.880.7000112V90 M92 V110 A157 L158 A163 E164 Q165 L175V90-W161 HydrophobicContact CG1-CZ2 4.36Å; M92-W161 HydrophobicContact CE-CB 3.45Å; M92-W161 VanDerWaalsContact CE-CB 3.45Å; M92-W161 HydrophobicContact CE-CG 3.87Å; M92-W161 HydrophobicContact CG-CD2 4.42Å; M92-W161 HydrophobicContact CG-CG 4.26Å; M92-W161 HydrophobicContact SD-CB 4.22Å; M92-W161 HydrophobicContact SD-CD2 4.33Å; M92-W161 HydrophobicContact SD-CG 4.17Å; V110-W161 HydrophobicContact CG1-CZ3 4.39Å; V110-W161 HydrophobicContact CG2-CZ3 4.37Å; A157-W161 WeakPolarHBondContact O-CB 3.47Å; A157-W161 PolarHBondContact O-N 3.41Å; L158-W161 HydrophobicContact CD1-CE3 4.05Å; L158-W161 PolarHBondContact O-N 2.64Å; W161-A163 VanDerWaalsContact C-N 3.33Å; W161-A163 PolarHBondContact O-N 2.94Å; W161-E164 WeakPolarHBondContact O-CB 3.39Å; W161-E164 PolarHBondContact O-N 3.42Å; W161-Q165 HydrophobicContact CD2-CG 3.95Å; W161-Q165 HydrophobicContact CE3-CG 4.11Å; W161-Q165 HydrophobicContact CH2-CG 3.91Å; W161-Q165 HydrophobicContact CZ2-CG 3.7Å; W161-Q165 HydrophobicContact CZ3-CG 4.1Å; W161-Q165 VanDerWaalsContact O-CG 3.32Å; W161-Q165 WeakPolarHBondContact O-CG 3.19Å; W161-Q165 PolarHBondContact O-N 3.25Å; W161-L175 HydrophobicContact CH2-CD1 4.14Å; W161-L175 HydrophobicContact CH2-CD2 4.02Å; W161-L175 HydrophobicContact CZ3-CD2 4.06Å
162L88.1Confident84Confident0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-63-40174.4-74.9172.1000111.7I15 Y28 Y33 F133 L158 D159 K160 E164 Q165 H166 L175I15-L162 HydrophobicContact CD1-CD2 4.02Å; Y28-L162 HydrophobicContact CD2-CB 4.25Å; Y28-L162 HydrophobicContact CE2-CB 3.59Å; Y28-L162 HydrophobicContact CE2-CD1 4.48Å; Y33-L162 HydrophobicContact CD2-CD1 4.34Å; Y33-L162 HydrophobicContact CG-CD1 4.45Å; F133-L162 HydrophobicContact CD1-CD1 4.5Å; F133-L162 HydrophobicContact CE1-CD1 4.09Å; L158-L162 HydrophobicContact CD1-CD1 4.41Å; L158-L162 HydrophobicContact CD1-CG 4.31Å; L158-L162 HydrophobicContact CG-CD1 4.24Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 3.32Å; D159-L162 PolarHBondContact O-N 3.39Å; K160-L162 PolarHBondContact O-N 3.32Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.37Å; L162-Q165 PolarHBondContact O-N 2.89Å; L162-H166 PolarHBondContact O-CD2 3.18Å; L162-H166 VanDerWaalsContact O-CD2 3.31Å; L162-H166 PolarHBondContact O-N 2.92Å; L162-H166 VanDerWaalsContact O-N 3.13Å; L162-L175 HydrophobicContact CD2-CD2 4.45Å
163A87.8Confident83.4Confident34 Ų3443 Ų4328%0.28123%0.23SC..Hα-helixtrans-59.2-44.4174.400000111.9Y28 D159 K160 W161 H166Y28-A163 HydrophobicContact CD1-CB 3.45Å; Y28-A163 VanDerWaalsContact CD1-CB 3.45Å; Y28-A163 HydrophobicContact CE1-CB 3.89Å; Y28-A163 HydrophobicContact CG-CB 3.92Å; D159-A163 PolarHBondContact O-N 2.81Å; D159-A163 VanDerWaalsContact O-N 3.08Å; K160-A163 WeakPolarHBondContact O-CB 3.36Å; K160-A163 PolarHBondContact O-N 2.86Å; W161-A163 VanDerWaalsContact C-N 3.33Å; W161-A163 PolarHBondContact O-N 2.94Å; A163-H166 PolarHBondContact O-N 3.23Å
164E85Confident82.7Confident89 Ų8942.5 Ų42.542%0.41623%0.234SC..Hα-helixtrans-62.1-42174.1-69167.6-174.700111.6K160 W161 L162 H166 T167K160-E164 VanDerWaalsContact CE-OE1 3.28Å; K160-E164 WeakPolarHBondContact CE-OE1 3.39Å; K160-E164 WeakPolarHBondContact O-CG 3.37Å; K160-E164 PolarHBondContact O-N 3.19Å; W161-E164 WeakPolarHBondContact O-CB 3.39Å; W161-E164 PolarHBondContact O-N 3.42Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.37Å; E164-H166 PolarHBondContact O-N 2.99Å; E164-T167 PolarHBondContact O-N 3.21Å; E164-T167 VanDerWaalsContact O-N 3.09Å; E164-T167 PolarHBondContact O-OG1 2.86Å
165Q82.6Confident82Confident18 Ų1842.6 Ų42.68%0.08424%0.235CC..Hα-helixtrans-65.9-23.7178.1-63.5-36.8-51.400113.8W161 L162 A171 I172 F232W161-Q165 HydrophobicContact CD2-CG 3.95Å; W161-Q165 HydrophobicContact CE3-CG 4.11Å; W161-Q165 HydrophobicContact CH2-CG 3.91Å; W161-Q165 HydrophobicContact CZ2-CG 3.7Å; W161-Q165 HydrophobicContact CZ3-CG 4.1Å; W161-Q165 VanDerWaalsContact O-CG 3.32Å; W161-Q165 WeakPolarHBondContact O-CG 3.19Å; W161-Q165 PolarHBondContact O-N 3.25Å; L162-Q165 PolarHBondContact O-N 2.89Å; Q165-A171 HydrophobicContact CB-CB 4.45Å; Q165-A171 WeakPolarHBondContact O-CB 3.15Å; Q165-I172 HydrophobicContact CB-CD1 3.63Å; Q165-I172 HydrophobicContact CB-CG1 4.4Å; Q165-F232 VanDerWaalsContact OE1-CD1 3.29Å
166H83.3Confident81.3Confident13 Ų1343.8 Ų43.86%0.0624%0.24CC..Hα-helixtrans-77.2-22.1173.8-88.8-90.6000113.7S25 Y28 Y33 L162 A163 E164 V168S25-H166 PolarHBondContact O-CE1 3.5Å; S25-H166 PolarHBondContact O-ND1 3.1Å; Y28-H166 AromaticContact CD2-CD2 3.46Å; Y28-H166 VanDerWaalsContact CD2-CD2 3.46Å; Y28-H166 WeakPolarHBondContact CD2-CD2 3.43Å; Y28-H166 AromaticContact CD2-NE2 3.79Å; Y33-H166 AromaticContact CE2-NE2 3.52Å; Y33-H166 AromaticContact CZ-NE2 3.51Å; Y33-H166 PolarHBondContact OH-CE1 3.34Å; Y33-H166 PolarHBondContact OH-NE2 3.02Å; L162-H166 PolarHBondContact O-CD2 3.18Å; L162-H166 VanDerWaalsContact O-CD2 3.31Å; L162-H166 PolarHBondContact O-N 2.92Å; L162-H166 VanDerWaalsContact O-N 3.13Å; A163-H166 PolarHBondContact O-N 3.23Å; E164-H166 PolarHBondContact O-N 2.99Å; H166-V168 PolarHBondContact O-N 3.19Å
167T77.8Confident80.4Confident114 Ų11446.6 Ų46.670%0.69925%0.246SC*.Hα-helixtrans-75.4-18.917470.60000111.8E164E164-T167 PolarHBondContact O-N 3.21Å; E164-T167 VanDerWaalsContact O-N 3.09Å; E164-T167 PolarHBondContact O-OG1 2.86Å
168V74.7Confident79.1Confident31 Ų3149 Ų4919%0.18826%0.259CS..SBendtrans-88.6120.9-180176.60000111.3H166 H170 A171H166-V168 PolarHBondContact O-N 3.19Å; V168-H170 PolarHBondContact O-N 2.86Å; V168-A171 HydrophobicContact CB-CB 3.78Å; V168-A171 HydrophobicContact CG1-CB 3.6Å; V168-A171 PolarHBondContact O-N 3.19Å
169P64.7Low77.6Confident75 Ų7549.8 Ų49.849%0.48727%0.266SS..THydrogen-bonded Turntrans-54.9131.4176.2-25.635.2000112.3A171P169-A171 PolarHBondContact O-N 3.47Å
170H65Low75.8Confident139 Ų13948.9 Ų48.964%0.64426%0.263SS*.THydrogen-bonded Turntrans64.2-0.7176-52.8-72.1000117.6V168 P173 A174V168-H170 PolarHBondContact O-N 2.86Å; H170-P173 WeakPolarHBondContact O-CD 3.37Å; H170-A174 VanDerWaalsContact O-CB 3.25Å; H170-A174 WeakPolarHBondContact O-CB 3.34Å; H170-A174 PolarHBondContact O-N 2.69Å
171A74.1Confident74Confident8 Ų845.4 Ų45.47%0.06625%0.252CS..Hα-helixtrans-63.2-47.4179.400000112.9Q165 V168 P169 A174 L175 F232Q165-A171 HydrophobicContact CB-CB 4.45Å; Q165-A171 WeakPolarHBondContact O-CB 3.15Å; V168-A171 HydrophobicContact CB-CB 3.78Å; V168-A171 HydrophobicContact CG1-CB 3.6Å; V168-A171 PolarHBondContact O-N 3.19Å; P169-A171 PolarHBondContact O-N 3.47Å; A171-A174 PolarHBondContact O-N 2.67Å; A171-L175 WeakPolarHBondContact O-CB 3.22Å; A171-L175 PolarHBondContact O-N 2.95Å; A171-F232 HydrophobicContact CB-CE1 4.26Å
172I82.3Confident72.3Confident5 Ų546.7 Ų46.73%0.02626%0.26CS..Hα-helixtrans-63.5-49.2177.4-60.6-61.8000112.3L23 Y33 Q165 A174 L175 F176L23-I172 HydrophobicContact CD2-CG2 3.93Å; Y33-I172 WeakPolarHBondContact OH-CG2 3.34Å; Q165-I172 HydrophobicContact CB-CD1 3.63Å; Q165-I172 HydrophobicContact CB-CG1 4.4Å; I172-A174 PolarHBondContact O-N 2.67Å; I172-L175 WeakPolarHBondContact O-CB 3.45Å; I172-L175 PolarHBondContact O-N 3.36Å; I172-F176 HydrophobicContact CG2-CD2 4.4Å; I172-F176 HydrophobicContact CG2-CE2 4.36Å; I172-F176 WeakPolarHBondContact O-CD2 3.47Å; I172-F176 PolarHBondContact O-N 2.83Å
173P74.4Confident70.9Confident37 Ų3749.6 Ų49.624%0.2427%0.271CS..Hα-helixtrans-54.7-37.8170.7-2731.6000113.6L23 H170 R177L23-P173 VanDerWaalsContact O-CD 3.3Å; L23-P173 WeakPolarHBondContact O-CD 3.28Å; L23-P173 VanDerWaalsContact O-CG 3.29Å; L23-P173 WeakPolarHBondContact O-CG 3.47Å; H170-P173 WeakPolarHBondContact O-CD 3.37Å; P173-R177 VanDerWaalsContact O-CG 3.29Å; P173-R177 WeakPolarHBondContact O-CG 3.42Å; P173-R177 PolarHBondContact O-NE 3.01Å
174A72.1Confident69Low29 Ų2948.6 Ų48.624%0.2426%0.261CS..Hα-helixtrans-72.5-32.2179.800000113.1R88 H170 A171 I172 F176R88-A174 PolarHBondContact NH1-O 3.42Å; H170-A174 VanDerWaalsContact O-CB 3.25Å; H170-A174 WeakPolarHBondContact O-CB 3.34Å; H170-A174 PolarHBondContact O-N 2.69Å; A171-A174 PolarHBondContact O-N 2.67Å; I172-A174 PolarHBondContact O-N 2.67Å; A174-F176 VanDerWaalsContact C-N 3.31Å; A174-F176 PolarHBondContact O-N 3.32Å
175L76.1Confident67.2Low3 Ų350.4 Ų50.42%0.01627%0.268CS..Hα-helixtrans-61.8-38.1178.6-173.460.5000111.9I15 V90 P112 W161 L162 A171 I172I15-L175 HydrophobicContact CD1-CD2 4.07Å; V90-L175 HydrophobicContact CG2-CD1 3.96Å; P112-L175 HydrophobicContact CB-CD1 4.4Å; P112-L175 HydrophobicContact CB-CG 4.1Å; P112-L175 WeakPolarHBondContact CB-O 3.4Å; P112-L175 HydrophobicContact CG-CD1 4.08Å; P112-L175 HydrophobicContact CG-CG 4.28Å; P112-L175 WeakPolarHBondContact CG-O 3.33Å; W161-L175 HydrophobicContact CH2-CD1 4.14Å; W161-L175 HydrophobicContact CH2-CD2 4.02Å; W161-L175 HydrophobicContact CZ3-CD2 4.06Å; L162-L175 HydrophobicContact CD2-CD2 4.45Å; A171-L175 WeakPolarHBondContact O-CB 3.22Å; A171-L175 PolarHBondContact O-N 2.95Å; I172-L175 WeakPolarHBondContact O-CB 3.45Å; I172-L175 PolarHBondContact O-N 3.36Å
176F77.4Confident65.5Low26 Ų2654.5 Ų54.511%0.11429%0.294CS..THydrogen-bonded Turntrans-102.712.2-175.4-64-84.8000114.9I15 P17 L23 Y33 P112 I172 A174I15-F176 HydrophobicContact CD1-CE1 4.47Å; I15-F176 HydrophobicContact CD1-CZ 3.88Å; I15-F176 HydrophobicContact CG1-CE1 4.19Å; I15-F176 HydrophobicContact CG1-CZ 4.07Å; P17-F176 HydrophobicContact CG-CD1 4.1Å; P17-F176 HydrophobicContact CG-CE1 4.18Å; P17-F176 HydrophobicContact CG-CG 4.38Å; P17-F176 HydrophobicContact CG-CZ 4.5Å; L23-F176 HydrophobicContact CD1-CB 4.31Å; L23-F176 HydrophobicContact CD2-CB 3.84Å; L23-F176 HydrophobicContact CD2-CD2 3.21Å; L23-F176 HydrophobicContact CD2-CE2 3.87Å; L23-F176 HydrophobicContact CD2-CG 3.64Å; Y33-F176 HydrophobicContact CD1-CZ 4.2Å; Y33-F176 AromaticContact CE1-CE2 3.82Å; Y33-F176 HydrophobicContact CE1-CE2 3.82Å; Y33-F176 AromaticContact CE1-CZ 3.77Å; Y33-F176 HydrophobicContact CE1-CZ 3.77Å; P112-F176 HydrophobicContact CB-CD1 3.66Å; P112-F176 HydrophobicContact CB-CE1 3.68Å; P112-F176 HydrophobicContact CB-CG 4.32Å; P112-F176 HydrophobicContact CB-CZ 4.38Å; I172-F176 HydrophobicContact CG2-CD2 4.4Å; I172-F176 HydrophobicContact CG2-CE2 4.36Å; I172-F176 WeakPolarHBondContact O-CD2 3.47Å; I172-F176 PolarHBondContact O-N 2.83Å; A174-F176 VanDerWaalsContact C-N 3.31Å; A174-F176 PolarHBondContact O-N 3.32Å
177R70.1Confident63.3Low123 Ų12359.7 Ų59.746%0.46432%0.322SS..SBendtrans-70.8152.7176.6-86.8167.2-157.5-173.31.3112.1P173P173-R177 VanDerWaalsContact O-CG 3.29Å; P173-R177 WeakPolarHBondContact O-CG 3.42Å; P173-R177 PolarHBondContact O-NE 3.01Å
178P63.1Low61.6Low75 Ų7555 Ų5549%0.48729%0.294SS..PPolyproline II helixtrans-58.5153.4172.1-19.830.5000111.9E182 R183P178-E182 HydrophobicContact CB-CB 4.21Å; P178-R183 HydrophobicContact CB-CG 3.9Å; P178-R183 HydrophobicContact CG-CG 4.27Å; P178-R183 WeakPolarHBondContact O-CD 3.38Å; P178-R183 WeakPolarHBondContact O-CG 3.47Å; P178-R183 PolarHBondContact O-NE 2.89Å
179A59.1Low60Low17 Ų1760 Ų6014%0.1432%0.319CS..PPolyproline II helixtrans-54.4154.8174.500000111.9K87 V181 E182 R183K87-A179 HydrophobicContact CB-CB 3.53Å; K87-A179 HydrophobicContact CD-CB 4.18Å; K87-A179 HydrophobicContact CG-CB 4.49Å; A179-V181 VanDerWaalsContact C-N 3.28Å; A179-V181 PolarHBondContact O-N 3.48Å; A179-E182 PolarHBondContact O-N 3.27Å; A179-R183 PolarHBondContact O-N 3.18Å
180P53.9Low58.7Low24 Ų2458.8 Ų58.816%0.15631%0.308CS..Hα-helixtrans-61.1-42.9-167.7-2337.6000110.9E182 R183 V184 M217 E221P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.19Å; P180-R183 PolarHBondContact O-N 2.99Å; P180-R183 VanDerWaalsContact O-N 3.15Å; P180-V184 VanDerWaalsContact O-CG2 3.22Å; P180-V184 WeakPolarHBondContact O-CG2 3.13Å; P180-V184 PolarHBondContact O-N 3.23Å; P180-M217 HydrophobicContact CB-CE 4.35Å; P180-E221 WeakPolarHBondContact CB-OE1 3.47Å; P180-E221 HydrophobicContact CG-CG 4.41Å; P180-E221 WeakPolarHBondContact CG-OE1 3.12Å; P180-E221 WeakPolarHBondContact CG-OE2 3.34Å
181V52.8Low57.4Low60 Ų6057.1 Ų57.136%0.36431%0.31SS..Hα-helixtrans-57-39.3177.1179.10000112.1A179 V184 K185A179-V181 VanDerWaalsContact C-N 3.28Å; A179-V181 PolarHBondContact O-N 3.48Å; V181-V184 PolarHBondContact O-N 3.47Å; V181-K185 WeakPolarHBondContact O-CG 3.47Å; V181-K185 PolarHBondContact O-N 2.84Å; V181-K185 VanDerWaalsContact O-N 3.11Å
182E54Low55.5Low61 Ų6160.4 Ų60.429%0.28534%0.337SS..Hα-helixtrans-75.8-37.2178.8-64.7-63.3122.200111.5K87 P178 A179 P180 V184 K185 T186K87-E182 HydrophobicContact CD-CG 4.41Å; P178-E182 HydrophobicContact CB-CB 4.21Å; A179-E182 PolarHBondContact O-N 3.27Å; P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.19Å; E182-V184 VanDerWaalsContact C-N 3.29Å; E182-V184 PolarHBondContact O-N 3.13Å; E182-K185 WeakPolarHBondContact O-CB 3.5Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-K185 VanDerWaalsContact O-N 3.16Å; E182-K185 WeakPolarHBondContact OE1-CD 3.29Å; E182-K185 WeakPolarHBondContact OE1-CE 3.47Å; E182-K185 IonicContact OE1-NZ 2.67Å; E182-K185 PolarHBondContact OE1-NZ 2.99Å; E182-T186 WeakPolarHBondContact O-CG2 3.2Å; E182-T186 PolarHBondContact O-N 3.19Å; E182-T186 PolarHBondContact O-OG1 2.98Å
183R57.6Low53.4Low60 Ų6069.1 Ų69.123%0.22637%0.371CS..Hα-helixtrans-64.6-34.8172.4-65.5-168.1-64.6140.6-2.5111.7P178 A179 P180 T186 N187 M217 E221P178-R183 HydrophobicContact CB-CG 3.9Å; P178-R183 HydrophobicContact CG-CG 4.27Å; P178-R183 WeakPolarHBondContact O-CD 3.38Å; P178-R183 WeakPolarHBondContact O-CG 3.47Å; P178-R183 PolarHBondContact O-NE 2.89Å; A179-R183 PolarHBondContact O-N 3.18Å; P180-R183 PolarHBondContact O-N 2.99Å; P180-R183 VanDerWaalsContact O-N 3.15Å; R183-T186 PolarHBondContact O-N 3.44Å; R183-T186 PolarHBondContact O-OG1 3.31Å; R183-N187 WeakPolarHBondContact O-CB 3.35Å; R183-N187 PolarHBondContact O-N 3.46Å; R183-N187 PolarHBondContact O-ND2 3.04Å; R183-M217 HydrophobicContact CB-CE 3.77Å; R183-E221 IonicContact CZ-OE1 3.3Å; R183-E221 IonicContact NH2-OE1 2.76Å; R183-E221 PolarHBondContact NH2-OE1 2.82Å
184V48.4Very low51.7Low13 Ų1371.2 Ų71.28%0.07939%0.387CS..Hα-helixtrans-62.9-46.3171.7177.20000109.7P180 V181 E182 T186 N187 V188 I213 K214 M217P180-V184 VanDerWaalsContact O-CG2 3.22Å; P180-V184 WeakPolarHBondContact O-CG2 3.13Å; P180-V184 PolarHBondContact O-N 3.23Å; V181-V184 PolarHBondContact O-N 3.47Å; E182-V184 VanDerWaalsContact C-N 3.29Å; E182-V184 PolarHBondContact O-N 3.13Å; V184-T186 VanDerWaalsContact C-N 3.29Å; V184-T186 PolarHBondContact O-N 3.49Å; V184-N187 PolarHBondContact O-N 3.04Å; V184-V188 HydrophobicContact CG1-CG2 4.05Å; V184-V188 VanDerWaalsContact O-CB 3.31Å; V184-V188 WeakPolarHBondContact O-CB 3.32Å; V184-V188 VanDerWaalsContact O-CG2 3.28Å; V184-V188 WeakPolarHBondContact O-CG2 3.43Å; V184-V188 PolarHBondContact O-N 2.89Å; V184-I213 HydrophobicContact CG1-CB 4.5Å; V184-I213 HydrophobicContact CG1-CG2 4.19Å; V184-I213 HydrophobicContact CG2-CG2 4.21Å; V184-K214 HydrophobicContact CG1-CB 4.22Å; V184-M217 HydrophobicContact CB-SD 4.48Å; V184-M217 HydrophobicContact CG2-CB 4.17Å; V184-M217 HydrophobicContact CG2-CE 4.26Å; V184-M217 HydrophobicContact CG2-CG 4.23Å; V184-M217 HydrophobicContact CG2-SD 3.38Å; V184-M217 WeakPolarHBondContact CG2-SD 3.38Å
185K48.2Very low50Low128 Ų12875.2 Ų75.256%0.55741%0.413SS*.Hα-helixtrans-60.5-35.1177.9-70.9172.7-176.31750113.3V181 E182V181-K185 WeakPolarHBondContact O-CG 3.47Å; V181-K185 PolarHBondContact O-N 2.84Å; V181-K185 VanDerWaalsContact O-N 3.11Å; E182-K185 WeakPolarHBondContact O-CB 3.5Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-K185 VanDerWaalsContact O-N 3.16Å; E182-K185 WeakPolarHBondContact OE1-CD 3.29Å; E182-K185 WeakPolarHBondContact OE1-CE 3.47Å; E182-K185 IonicContact OE1-NZ 2.67Å; E182-K185 PolarHBondContact OE1-NZ 2.99Å
186T45.9Very low48.1Very low104 Ų10484.9 Ų84.964%0.63846%0.458SS*.Hα-helixtrans-89.7-21.6-178.961.10000114.2E182 R183 V184E182-T186 WeakPolarHBondContact O-CG2 3.2Å; E182-T186 PolarHBondContact O-N 3.19Å; E182-T186 PolarHBondContact O-OG1 2.98Å; R183-T186 PolarHBondContact O-N 3.44Å; R183-T186 PolarHBondContact O-OG1 3.31Å; V184-T186 VanDerWaalsContact C-N 3.29Å; V184-T186 PolarHBondContact O-N 3.49Å
187N38.5Very low46.1Very low121 Ų12186.8 Ų86.865%0.64749%0.485SS*.Hα-helixtrans-100.9-5.9179.3-67.7-64.6000113.2R183 V184R183-N187 WeakPolarHBondContact O-CB 3.35Å; R183-N187 PolarHBondContact O-N 3.46Å; R183-N187 PolarHBondContact O-ND2 3.04Å; V184-N187 PolarHBondContact O-N 3.04Å
188V41.5Very low44.2Very low17 Ų1791 Ų9110%0.10351%0.506CS..SBendtrans-122.5103.8173.9-167.40000108.5V184 N190 A210 I213V184-V188 HydrophobicContact CG1-CG2 4.05Å; V184-V188 VanDerWaalsContact O-CB 3.31Å; V184-V188 WeakPolarHBondContact O-CB 3.32Å; V184-V188 VanDerWaalsContact O-CG2 3.28Å; V184-V188 WeakPolarHBondContact O-CG2 3.43Å; V184-V188 PolarHBondContact O-N 2.89Å; V188-N190 PolarHBondContact O-N 2.85Å; V188-A210 HydrophobicContact CG1-CB 3.9Å; V188-I213 HydrophobicContact CB-CD1 4.35Å; V188-I213 HydrophobicContact CG1-CD1 4.27Å; V188-I213 HydrophobicContact CG2-CB 3.86Å; V188-I213 HydrophobicContact CG2-CD1 3.21Å; V188-I213 HydrophobicContact CG2-CG1 4.08Å; V188-I213 HydrophobicContact CG2-CG2 3.74Å
189N40Very low42.9Very low136 Ų13695.8 Ų95.873%0.72753%0.527SS*.  trans-65102.5166.8-100.53.9000108.3
190N37.9Very low41.5Very low48 Ų48100.4 Ų100.426%0.25756%0.559SS.*  trans-100.8114.4166-176.7-10.4000108.2V188 A192 Y193 S194V188-N190 PolarHBondContact O-N 2.85Å; N190-A192 PolarHBondContact O-N 2.9Å; N190-A192 VanDerWaalsContact OD1-CB 3.3Å; N190-A192 WeakPolarHBondContact OD1-CB 3.48Å; N190-A192 PolarHBondContact OD1-N 3.48Å; N190-Y193 HydrophobicContact CB-CD2 3.82Å; N190-Y193 VanDerWaalsContact ND2-CD2 3.28Å; N190-Y193 WeakPolarHBondContact ND2-CD2 3.49Å; N190-Y193 WeakPolarHBondContact ND2-CE2 3.34Å; N190-Y193 PolarHBondContact O-N 2.87Å; N190-S194 PolarHBondContact O-N 3.12Å
191P38.3Very low40.7Very low104 Ų104106.9 Ų106.968%0.67559%0.592SS**THydrogen-bonded Turntrans-57.5-19.5176.6-22.732.2000114.3Y193 S194P191-Y193 VanDerWaalsContact C-N 3.26Å; P191-Y193 PolarHBondContact O-N 2.78Å; P191-S194 PolarHBondContact O-OG 2.77Å
192A33.6Very low40Very low78 Ų78113.4 Ų113.465%0.64562%0.619SS**THydrogen-bonded Turntrans-77.3-8.2175.100000114N190N190-A192 PolarHBondContact O-N 2.9Å; N190-A192 VanDerWaalsContact OD1-CB 3.3Å; N190-A192 WeakPolarHBondContact OD1-CB 3.48Å; N190-A192 PolarHBondContact OD1-N 3.48Å
193Y38.3Very low38.9Very low188 Ų188113.5 Ų113.574%0.73764%0.636SS**SBendtrans-126.36.2178.6-59.1-58.7000113.4N190 P191 S195N190-Y193 HydrophobicContact CB-CD2 3.82Å; N190-Y193 VanDerWaalsContact ND2-CD2 3.28Å; N190-Y193 WeakPolarHBondContact ND2-CD2 3.49Å; N190-Y193 WeakPolarHBondContact ND2-CE2 3.34Å; N190-Y193 PolarHBondContact O-N 2.87Å; P191-Y193 VanDerWaalsContact C-N 3.26Å; P191-Y193 PolarHBondContact O-N 2.78Å; Y193-S195 PolarHBondContact O-N 3.3Å; Y193-S195 VanDerWaalsContact O-N 3.13Å
194S39.3Very low37.8Very low81 Ų81118.8 Ų118.857%0.56667%0.667SS**  trans-71.8103.6169.1490000108.7N190 P191 E196N190-S194 PolarHBondContact O-N 3.12Å; P191-S194 PolarHBondContact O-OG 2.77Å; S194-E196 PolarHBondContact O-N 3.03Å
195S36.8Very low37.3Very low113 Ų113126 Ų12679%0.7970%0.7SS**  trans-53.9122.9162-40.90000107.5Y193 G197Y193-S195 PolarHBondContact O-N 3.3Å; Y193-S195 VanDerWaalsContact O-N 3.13Å; S195-G197 PolarHBondContact O-N 2.89Å
196E35.4Very low36.9Very low206 Ų206125.2 Ų125.296%0.96370%0.7SS**SBendtrans-50.4113177.6-67.4-173.5158.800110.2S194S194-E196 PolarHBondContact O-N 3.03Å
197G34.9Very low36.6Very low66 Ų66123.7 Ų123.768%0.6870%0.704SS**  trans161.488178.200000115.3S195S195-G197 PolarHBondContact O-N 2.89Å
198K30.6Very low36.7Very low210 Ų210121.2 Ų121.291%0.91369%0.686SS**  trans75.596.9160.7-60.3-175.3178.3-178.60116.8
199L35.8Very low36.8Very low177 Ų177123.8 Ų123.893%0.92770%0.702SS**  trans-61.1130.4153.8-73.1154.5000110.1
200S29.4Very low36.9Very low114 Ų114118.7 Ų118.780%0.79768%0.679SS**  trans-119122143.157.30000107E202S200-E202 PolarHBondContact O-N 2.96Å
201D37.1Very low37.2Very low160 Ų160122.4 Ų122.486%0.85670%0.698SS**SBendtrans-63109.6-175.8-1485.2000110.1
202E38.3Very low37.5Very low197 Ų197122.5 Ų122.592%0.92169%0.69SS**  trans160.896.4161.3-95178.4-167.800108.7S200S200-E202 PolarHBondContact O-N 2.96Å
203G31.6Very low38.2Very low63 Ų63120.3 Ų120.365%0.64967%0.667SS**  trans-170.794.318000000113.3H205G203-H205 PolarHBondContact O-N 3.09Å
204L34.8Very low38.5Very low170 Ų170116 Ų11689%0.8965%0.652SS**  trans-48.7122.2175.7-81.4104.3000113M206L204-M206 PolarHBondContact O-N 2.93Å
205H36.9Very low38.9Very low166 Ų166116 Ų11677%0.76965%0.652SS**  trans-70.2108.2165.7-90.9-66000110.7G203G203-H205 PolarHBondContact O-N 3.09Å
206M40.1Very low39.4Very low111 Ų111115.1 Ų115.155%0.54763%0.634SS.*  trans-85.9109.9164.4-73.2-71.5-79.900108.5L204 Y208L204-M206 PolarHBondContact O-N 2.93Å; M206-Y208 VanDerWaalsContact C-N 3.29Å; M206-Y208 HydrophobicContact CB-CD2 4.24Å; M206-Y208 HydrophobicContact CB-CE2 4.24Å; M206-Y208 HydrophobicContact CE-CE2 4.26Å; M206-Y208 PolarHBondContact O-N 3.24Å
207G39.7Very low39.9Very low71 Ų71106.5 Ų106.573%0.73259%0.594SS**SBendtrans-6469.1-171.700000116.5
208Y41.5Very low40.5Very low69 Ų69107.5 Ų107.527%0.27158%0.582SS.*  trans-126.6153.2165.8-54.5-75.5000109.9M206 I213 V242M206-Y208 VanDerWaalsContact C-N 3.29Å; M206-Y208 HydrophobicContact CB-CD2 4.24Å; M206-Y208 HydrophobicContact CB-CE2 4.24Å; M206-Y208 HydrophobicContact CE-CE2 4.26Å; M206-Y208 PolarHBondContact O-N 3.24Å; Y208-I213 HydrophobicContact CD2-CD1 3.72Å; Y208-I213 HydrophobicContact CD2-CG1 4.02Å; Y208-I213 HydrophobicContact CG-CD1 3.93Å; Y208-I213 HydrophobicContact CG-CG1 3.83Å; Y208-V242 HydrophobicContact CE1-CB 3.91Å; Y208-V242 HydrophobicContact CE1-CG1 4.05Å; Y208-V242 HydrophobicContact CE1-CG2 3.47Å; Y208-V242 VanDerWaalsContact CE1-CG2 3.47Å; Y208-V242 HydrophobicContact CE2-CG2 4.35Å; Y208-V242 WeakPolarHBondContact OH-CB 3.36Å; Y208-V242 WeakPolarHBondContact OH-CG2 3.35Å
209T43.3Very low41.2Very low71 Ų71101 Ų10144%0.43656%0.562SS.*  trans-75.5148.8163.668.60000110L211 E212 I213T209-L211 PolarHBondContact O-N 2.77Å; T209-E212 WeakPolarHBondContact CB-OE2 3.18Å; T209-E212 WeakPolarHBondContact CG2-OE2 3.19Å; T209-E212 PolarHBondContact N-OE2 3.28Å; T209-E212 PolarHBondContact O-N 2.81Å; T209-E212 WeakPolarHBondContact OG1-CG 3.23Å; T209-E212 PolarHBondContact OG1-N 3.26Å; T209-E212 PolarHBondContact OG1-OE2 2.83Å; T209-I213 PolarHBondContact O-N 2.79Å
210A41.3Very low41.6Very low29 Ų2996.3 Ų96.324%0.2454%0.538CS..Hα-helixtrans-56.8-25.8177.400000113.1V188 K214V188-A210 HydrophobicContact CG1-CB 3.9Å; A210-K214 WeakPolarHBondContact O-CB 3.44Å; A210-K214 PolarHBondContact O-N 2.83Å
211L43.7Very low42.5Very low127 Ų12793 Ų9367%0.66551%0.51SS*.Hα-helixtrans-75.5-34.1178.3-160.270.6000112.4T209 K214 S215T209-L211 PolarHBondContact O-N 2.77Å; L211-K214 HydrophobicContact CD1-CD 4.44Å; L211-K214 WeakPolarHBondContact O-CB 3.43Å; L211-K214 PolarHBondContact O-N 2.87Å; L211-S215 WeakPolarHBondContact O-CB 3.31Å; L211-S215 PolarHBondContact O-N 2.86Å
212E45.4Very low42.7Very low105 Ų10593 Ų9349%0.49150%0.503SS..Hα-helixtrans-73.4-42.3177.3-72.1162.9140.600111.8T209 K214 S215 K216T209-E212 WeakPolarHBondContact CB-OE2 3.18Å; T209-E212 WeakPolarHBondContact CG2-OE2 3.19Å; T209-E212 PolarHBondContact N-OE2 3.28Å; T209-E212 PolarHBondContact O-N 2.81Å; T209-E212 WeakPolarHBondContact OG1-CG 3.23Å; T209-E212 PolarHBondContact OG1-N 3.26Å; T209-E212 PolarHBondContact OG1-OE2 2.83Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 2.89Å; E212-S215 PolarHBondContact O-N 2.95Å; E212-K216 WeakPolarHBondContact O-CB 3.37Å; E212-K216 PolarHBondContact O-N 3.42Å
213I48.2Very low42.5Very low32 Ų3286.2 Ų86.216%0.16448%0.48CS..Hα-helixtrans-63.8-41.4173-65178.6000109.8V184 V188 Y208 T209 K216 M217V184-I213 HydrophobicContact CG1-CB 4.5Å; V184-I213 HydrophobicContact CG1-CG2 4.19Å; V184-I213 HydrophobicContact CG2-CG2 4.21Å; V188-I213 HydrophobicContact CB-CD1 4.35Å; V188-I213 HydrophobicContact CG1-CD1 4.27Å; V188-I213 HydrophobicContact CG2-CB 3.86Å; V188-I213 HydrophobicContact CG2-CD1 3.21Å; V188-I213 HydrophobicContact CG2-CG1 4.08Å; V188-I213 HydrophobicContact CG2-CG2 3.74Å; Y208-I213 HydrophobicContact CD2-CD1 3.72Å; Y208-I213 HydrophobicContact CD2-CG1 4.02Å; Y208-I213 HydrophobicContact CG-CD1 3.93Å; Y208-I213 HydrophobicContact CG-CG1 3.83Å; T209-I213 PolarHBondContact O-N 2.79Å; I213-K216 PolarHBondContact O-N 3.19Å; I213-M217 HydrophobicContact CG2-CG 4.33Å; I213-M217 HydrophobicContact CG2-SD 3.97Å; I213-M217 WeakPolarHBondContact O-CB 3.4Å; I213-M217 WeakPolarHBondContact O-CG 3.28Å; I213-M217 PolarHBondContact O-N 3.1Å
214K43.7Very low42.7Very low98 Ų9886.3 Ų86.343%0.42647%0.465SS..Hα-helixtrans-58.6-48.3173.2-177-178.8176.4-175.50111.7V184 A210 L211 E212 K216 M218V184-K214 HydrophobicContact CG1-CB 4.22Å; A210-K214 WeakPolarHBondContact O-CB 3.44Å; A210-K214 PolarHBondContact O-N 2.83Å; L211-K214 HydrophobicContact CD1-CD 4.44Å; L211-K214 WeakPolarHBondContact O-CB 3.43Å; L211-K214 PolarHBondContact O-N 2.87Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 2.89Å; K214-K216 PolarHBondContact O-N 3.36Å; K214-M218 HydrophobicContact CG-CG 4.29Å; K214-M218 WeakPolarHBondContact O-CB 3.41Å; K214-M218 WeakPolarHBondContact O-CG 3.43Å; K214-M218 PolarHBondContact O-N 3.2Å
215S47.4Very low43Very low80 Ų8084 Ų8456%0.55945%0.451SS*.Hα-helixtrans-62.3-42.5-179.7-170.50000111.9L211 E212 M218 S219L211-S215 WeakPolarHBondContact O-CB 3.31Å; L211-S215 PolarHBondContact O-N 2.86Å; E212-S215 PolarHBondContact O-N 2.95Å; S215-M218 PolarHBondContact O-N 2.78Å; S215-S219 WeakPolarHBondContact O-CB 3.36Å; S215-S219 PolarHBondContact O-N 2.79Å; S215-S219 PolarHBondContact O-OG 3.26Å
216K47.3Very low43.2Very low95 Ų9581.1 Ų81.141%0.41345%0.449SS..Hα-helixtrans-72.9-38.4-178.6-155.4166.8-172.9173.60113.1E212 I213 K214 S219 L220E212-K216 WeakPolarHBondContact O-CB 3.37Å; E212-K216 PolarHBondContact O-N 3.42Å; I213-K216 PolarHBondContact O-N 3.19Å; K214-K216 PolarHBondContact O-N 3.36Å; K216-S219 WeakPolarHBondContact CA-OG 3.34Å; K216-S219 PolarHBondContact O-N 2.82Å; K216-S219 PolarHBondContact O-OG 2.84Å; K216-L220 WeakPolarHBondContact O-CD1 3.27Å; K216-L220 VanDerWaalsContact O-CG 3.27Å; K216-L220 WeakPolarHBondContact O-CG 3.46Å; K216-L220 PolarHBondContact O-N 3.39Å; K216-L220 VanDerWaalsContact O-N 3.13Å
217M46.4Very low42.6Very low26 Ų2683.2 Ų83.213%0.12846%0.461CS..Hα-helixtrans-68-38.7171.2-72.8-173.767.900111.4P180 R183 V184 I213 E221P180-M217 HydrophobicContact CB-CE 4.35Å; R183-M217 HydrophobicContact CB-CE 3.77Å; V184-M217 HydrophobicContact CB-SD 4.48Å; V184-M217 HydrophobicContact CG2-CB 4.17Å; V184-M217 HydrophobicContact CG2-CE 4.26Å; V184-M217 HydrophobicContact CG2-CG 4.23Å; V184-M217 HydrophobicContact CG2-SD 3.38Å; V184-M217 WeakPolarHBondContact CG2-SD 3.38Å; I213-M217 HydrophobicContact CG2-CG 4.33Å; I213-M217 HydrophobicContact CG2-SD 3.97Å; I213-M217 WeakPolarHBondContact O-CB 3.4Å; I213-M217 WeakPolarHBondContact O-CG 3.28Å; I213-M217 PolarHBondContact O-N 3.1Å; M217-E221 WeakPolarHBondContact O-CG 3.3Å; M217-E221 PolarHBondContact O-N 2.84Å
218M47.2Very low42.5Very low87 Ų8787.9 Ų87.943%0.42947%0.468SS..Hα-helixtrans-67.6-33.7175.3-69.9-76.8-68.800112.6K214 S215 K222K214-M218 HydrophobicContact CG-CG 4.29Å; K214-M218 WeakPolarHBondContact O-CB 3.41Å; K214-M218 WeakPolarHBondContact O-CG 3.43Å; K214-M218 PolarHBondContact O-N 3.2Å; S215-M218 PolarHBondContact O-N 2.78Å; M218-K222 WeakPolarHBondContact O-CG 3.39Å; M218-K222 PolarHBondContact O-N 2.78Å; M218-K222 VanDerWaalsContact O-N 3.09Å
219S46.8Very low42.2Very low72 Ų7286.3 Ų86.350%0.50347%0.465SS..Hα-helixtrans-73.2-36.6177680000113S215 K216 E221S215-S219 WeakPolarHBondContact O-CB 3.36Å; S215-S219 PolarHBondContact O-N 2.79Å; S215-S219 PolarHBondContact O-OG 3.26Å; K216-S219 WeakPolarHBondContact CA-OG 3.34Å; K216-S219 PolarHBondContact O-N 2.82Å; K216-S219 PolarHBondContact O-OG 2.84Å; S219-E221 VanDerWaalsContact C-N 3.26Å; S219-E221 PolarHBondContact O-N 3.29Å
220L43.4Very low42.1Very low79 Ų7988.8 Ų88.841%0.41448%0.482SS..Hα-helixtrans-66.6-29.8175.4-73163.6000112K216 Y238K216-L220 WeakPolarHBondContact O-CD1 3.27Å; K216-L220 VanDerWaalsContact O-CG 3.27Å; K216-L220 WeakPolarHBondContact O-CG 3.46Å; K216-L220 PolarHBondContact O-N 3.39Å; K216-L220 VanDerWaalsContact O-N 3.13Å; L220-Y238 HydrophobicContact CD1-CE2 3.48Å; L220-Y238 VanDerWaalsContact CD1-CE2 3.48Å; L220-Y238 WeakPolarHBondContact CD1-OH 3.34Å; L220-Y238 HydrophobicContact CD2-CE2 4.19Å
221E48.6Very low42.1Very low44 Ų4491.6 Ų91.621%0.20649%0.492CS..Hα-helixtrans-99.3-15.3-174.4-66.8-163-149.600114.8P180 R183 M217 S219 A223 D224 M225P180-E221 WeakPolarHBondContact CB-OE1 3.47Å; P180-E221 HydrophobicContact CG-CG 4.41Å; P180-E221 WeakPolarHBondContact CG-OE1 3.12Å; P180-E221 WeakPolarHBondContact CG-OE2 3.34Å; R183-E221 IonicContact CZ-OE1 3.3Å; R183-E221 IonicContact NH2-OE1 2.76Å; R183-E221 PolarHBondContact NH2-OE1 2.82Å; M217-E221 WeakPolarHBondContact O-CG 3.3Å; M217-E221 PolarHBondContact O-N 2.84Å; S219-E221 VanDerWaalsContact C-N 3.26Å; S219-E221 PolarHBondContact O-N 3.29Å; E221-A223 PolarHBondContact O-N 2.81Å; E221-D224 PolarHBondContact O-N 2.9Å; E221-M225 PolarHBondContact O-N 2.7Å
222K41.2Very low41.7Very low162 Ų16289.5 Ų89.570%0.70448%0.478SS*.THydrogen-bonded Turntrans-59.6-23.1162.3-81.4-176177.8-173.30112.4M218 D224M218-K222 WeakPolarHBondContact O-CG 3.39Å; M218-K222 PolarHBondContact O-N 2.78Å; M218-K222 VanDerWaalsContact O-N 3.09Å; K222-D224 VanDerWaalsContact C-N 3.35Å
223A34.6Very low41.6Very low54 Ų5486 Ų8645%0.44647%0.471SS..THydrogen-bonded Turntrans-77.4-15.4172.500000114E221E221-A223 PolarHBondContact O-N 2.81Å
224D35.8Very low41.3Very low64 Ų6486.7 Ų86.734%0.34248%0.478SS..THydrogen-bonded Turntrans-93.1-12.1175-87.20.6000112.5R88 E221 K222 N229R88-D224 IonicContact NH2-OD2 3.93Å; R88-D224 PolarHBondContact NH2-OD2 2.8Å; E221-D224 PolarHBondContact O-N 2.9Å; K222-D224 VanDerWaalsContact C-N 3.35Å; D224-N229 PolarHBondContact OD1-ND2 3.09Å
225M41.6Very low41.1Very low121 Ų12188.6 Ų88.660%0.59649%0.493SS*.SBendtrans-104.2-5-166.3-120.2179.670.500116E221E221-M225 PolarHBondContact O-N 2.7Å
226C39.5Very low40.7Very low107 Ų10791 Ų9172%0.72350%0.499SS*.SBendtrans-160.2129.5169.3-91.90000108.1
227I29.1Very low40.1Very low154 Ų15494.7 Ų94.779%0.7952%0.518SS*.SBendtrans81.7123.2-164.9-48.5173.1000110.9N229I227-N229 PolarHBondContact O-N 2.98Å
228L36Very low39.7Very low169 Ų169100.3 Ų100.389%0.88554%0.539SS*.  trans-42.1105163-96.3134.4000108.2P230L228-P230 WeakPolarHBondContact O-CD 2.9Å; L228-P230 VanDerWaalsContact O-N 3.14Å
229N36.3Very low39.1Very low37 Ų37100.7 Ų100.720%0.19855%0.546CS..  trans-60.6118.4172.7-173.5-6000106.9D224 I227 L231 F232D224-N229 PolarHBondContact OD1-ND2 3.09Å; I227-N229 PolarHBondContact O-N 2.98Å; N229-L231 PolarHBondContact O-N 2.47Å; N229-L231 WeakPolarHBondContact OD1-CA 3.32Å; N229-L231 WeakPolarHBondContact OD1-CB 3.33Å; N229-L231 WeakPolarHBondContact OD1-CG 3.48Å; N229-L231 PolarHBondContact OD1-N 3.45Å; N229-F232 PolarHBondContact O-N 3.38Å; N229-F232 VanDerWaalsContact O-N 3.16Å
230P40.5Very low38.5Very low123 Ų123103.1 Ų103.180%0.79955%0.553SS**THydrogen-bonded Turntrans-60.5-8.1173.4-18.131.2000112.4L228L228-P230 WeakPolarHBondContact O-CD 2.9Å; L228-P230 VanDerWaalsContact O-N 3.14Å
231L42.3Very low37.9Very low88 Ų88107.5 Ų107.546%0.46156%0.564SS.*THydrogen-bonded Turntrans-99.97.5-177.3-50.1170.2000113.7N229 G233 S234 L236N229-L231 PolarHBondContact O-N 2.47Å; N229-L231 WeakPolarHBondContact OD1-CA 3.32Å; N229-L231 WeakPolarHBondContact OD1-CB 3.33Å; N229-L231 WeakPolarHBondContact OD1-CG 3.48Å; N229-L231 PolarHBondContact OD1-N 3.45Å; L231-G233 PolarHBondContact O-N 2.92Å; L231-S234 WeakPolarHBondContact CB-OG 3.4Å; L231-S234 WeakPolarHBondContact CD2-OG 3.27Å; L231-S234 PolarHBondContact O-N 3.23Å; L231-S234 VanDerWaalsContact O-N 3.17Å; L231-S234 PolarHBondContact O-OG 2.98Å; L231-L236 HydrophobicContact CD2-CD1 3.91Å
232F33.8Very low37.3Very low82 Ų82107.6 Ų107.636%0.3657%0.568SS.*THydrogen-bonded Turntrans-66.289.3165.4-144.1-87.1000108.2Q165 A171 N229Q165-F232 VanDerWaalsContact OE1-CD1 3.29Å; A171-F232 HydrophobicContact CB-CE1 4.26Å; N229-F232 PolarHBondContact O-N 3.38Å; N229-F232 VanDerWaalsContact O-N 3.16Å
233G43.1Very low36.9Very low33 Ų33107 Ų10734%0.3457%0.572SS.*THydrogen-bonded Turntrans10017.8-174.200000118L231L231-G233 PolarHBondContact O-N 2.92Å
234S43Very low36.8Very low46 Ų46112.2 Ų112.232%0.32259%0.585SS.*  trans-75.5134.3166.565.80000110.8L231 L236L231-S234 WeakPolarHBondContact CB-OG 3.4Å; L231-S234 WeakPolarHBondContact CD2-OG 3.27Å; L231-S234 PolarHBondContact O-N 3.23Å; L231-S234 VanDerWaalsContact O-N 3.17Å; L231-S234 PolarHBondContact O-OG 2.98Å; S234-L236 PolarHBondContact O-N 2.81Å
235D39.3Very low36.9Very low137 Ų137114 Ų11473%0.73360%0.598SS**  trans-63.918174.8-65.8-46.3000115Q237D235-Q237 PolarHBondContact O-N 3.24Å
236L38.2Very low36.4Very low132 Ų132115.1 Ų115.169%0.69161%0.605SS**  trans-75.1105.9177.8-78.5164.2000110.2L231 S234 Y238L231-L236 HydrophobicContact CD2-CD1 3.91Å; S234-L236 PolarHBondContact O-N 2.81Å; L236-Y238 PolarHBondContact O-N 3.3Å
237Q35.4Very low36.2Very low172 Ų172116.5 Ų116.580%0.80460%0.603SS**PPolyproline II helixtrans-65.1119.2171.2-68.6-173.8-6.900110.6D235 T239D235-Q237 PolarHBondContact O-N 3.24Å; Q237-T239 PolarHBondContact O-N 2.9Å
238Y37.5Very low36.4Very low144 Ų144113.6 Ų113.657%0.56559%0.589SS**PPolyproline II helixtrans-70.6118.1164.9-173.4-97.2000108.9L220 L236 N240L220-Y238 HydrophobicContact CD1-CE2 3.48Å; L220-Y238 VanDerWaalsContact CD1-CE2 3.48Å; L220-Y238 WeakPolarHBondContact CD1-OH 3.34Å; L220-Y238 HydrophobicContact CD2-CE2 4.19Å; L236-Y238 PolarHBondContact O-N 3.3Å; Y238-N240 WeakPolarHBondContact CE1-OD1 3.37Å
239T35Very low36.4Very low94 Ų94110.7 Ų110.758%0.57758%0.581SS**PPolyproline II helixtrans-99.8128.3174.963.80000109.6Q237 R241Q237-T239 PolarHBondContact O-N 2.9Å; T239-R241 PolarHBondContact O-N 2.99Å
240N33.7Very low36.5Very low124 Ų124116.3 Ų116.366%0.66360%0.6SS**  trans-70.217.7-179.4-77.9-15.8000114.4Y238Y238-N240 WeakPolarHBondContact CE1-OD1 3.37Å
241R31.4Very low36Very low170 Ų170119 Ų11964%0.64260%0.6SS**  trans-98.9128-175.1-70.6-171.8-179.4-164.30.4110.3T239T239-R241 PolarHBondContact O-N 2.99Å
242V36.4Very low35.9Very low46 Ų46118.5 Ų118.528%0.27962%0.615SS.*  trans-93.5130175.4171.30000109.9Y208 K244Y208-V242 HydrophobicContact CE1-CB 3.91Å; Y208-V242 HydrophobicContact CE1-CG1 4.05Å; Y208-V242 HydrophobicContact CE1-CG2 3.47Å; Y208-V242 VanDerWaalsContact CE1-CG2 3.47Å; Y208-V242 HydrophobicContact CE2-CG2 4.35Å; Y208-V242 WeakPolarHBondContact OH-CB 3.36Å; Y208-V242 WeakPolarHBondContact OH-CG2 3.35Å; V242-K244 VanDerWaalsContact C-N 3.31Å; V242-K244 VanDerWaalsContact CG1-O 3.27Å; V242-K244 WeakPolarHBondContact CG1-O 3.39Å; V242-K244 PolarHBondContact O-N 3.06Å
243D33.6Very low36.2Very low150 Ų150121.1 Ų121.180%0.80263%0.633SS**SBendtrans-77.4-9-172.5-61.2-64.2000114.4
244K31.3Very low36.1Very low163 Ų163122.4 Ų122.471%0.70965%0.646SS**  trans-158.6140.1174.8-163.5172.8-179.81800113.5V242V242-K244 VanDerWaalsContact C-N 3.31Å; V242-K244 VanDerWaalsContact CG1-O 3.27Å; V242-K244 WeakPolarHBondContact CG1-O 3.39Å; V242-K244 PolarHBondContact O-N 3.06Å
245V37.1Very low36Very low102 Ų102124.6 Ų124.662%0.61867%0.667SS**  trans-115134.9173.5177.60000108.8I247V245-I247 HydrophobicContact CG1-CG1 4.33Å
246I31.6Very low36.4Very low144 Ų144122 Ų12274%0.73866%0.657SS**  trans-123.4120.5168.8-60.7177.8000106.5
247I36.3Very low36.8Very low136 Ų136120 Ų12070%0.69765%0.647SS**  trans-85.2129.1179.2-59.8171.5000107.6V245 P249V245-I247 HydrophobicContact CG1-CG1 4.33Å; I247-P249 WeakPolarHBondContact O-CD 3.43Å
248N33.7Very low37.3Very low93 Ų93119.4 Ų119.450%0.49764%0.639SS.*  trans-71.9121.1169.8-178.9-10.4000108.8Y250 F251N248-Y250 PolarHBondContact O-N 2.62Å; N248-Y250 VanDerWaalsContact O-N 3.09Å; N248-Y250 WeakPolarHBondContact OD1-CB 3.35Å; N248-Y250 VanDerWaalsContact OD1-CD2 3.23Å; N248-Y250 WeakPolarHBondContact OD1-CD2 3.47Å; N248-Y250 PolarHBondContact OD1-N 3.45Å; N248-F251 WeakPolarHBondContact O-CB 3.22Å; N248-F251 PolarHBondContact O-N 3.44Å
249P34.2Very low37.5Very low109 Ų109117.3 Ų117.371%0.70865%0.645SS**THydrogen-bonded Turntrans-63.5-14.3-179.925.5-33.6000113.7I247 F251I247-P249 WeakPolarHBondContact O-CD 3.43Å; P249-F251 VanDerWaalsContact C-N 3.31Å
250Y39.8Very low37.8Very low154 Ų154121 Ų12160%0.60465%0.653SS**THydrogen-bonded Turntrans-87.12.9175.6-56.5-70.9000113.9N248 G252 L253N248-Y250 PolarHBondContact O-N 2.62Å; N248-Y250 VanDerWaalsContact O-N 3.09Å; N248-Y250 WeakPolarHBondContact OD1-CB 3.35Å; N248-Y250 VanDerWaalsContact OD1-CD2 3.23Å; N248-Y250 WeakPolarHBondContact OD1-CD2 3.47Å; N248-Y250 PolarHBondContact OD1-N 3.45Å; Y250-G252 PolarHBondContact O-N 3.46Å; Y250-G252 VanDerWaalsContact O-N 3.14Å; Y250-L253 HydrophobicContact CD1-CD1 4.07Å; Y250-L253 PolarHBondContact O-N 2.74Å
251F30.1Very low38.2Very low181 Ų181119.9 Ų119.979%0.79465%0.646SS**THydrogen-bonded Turntrans-70.8107.2178.9-162.2-94.6000110.6N248 P249N248-F251 WeakPolarHBondContact O-CB 3.22Å; N248-F251 PolarHBondContact O-N 3.44Å; P249-F251 VanDerWaalsContact C-N 3.31Å
252G40.3Very low38.4Very low76 Ų76120.8 Ų120.878%0.78466%0.658SS**THydrogen-bonded Turntrans115.7-5.6179.600000115.5Y250 G254Y250-G252 PolarHBondContact O-N 3.46Å; Y250-G252 VanDerWaalsContact O-N 3.14Å; G252-G254 VanDerWaalsContact C-N 3.29Å; G252-G254 PolarHBondContact O-N 2.7Å
253L38.6Very low38.5Very low137 Ų137125.6 Ų125.672%0.71768%0.68SS**SBendtrans-86.18.4-180-68.7171.9000114.5Y250Y250-L253 HydrophobicContact CD1-CD1 4.07Å; Y250-L253 PolarHBondContact O-N 2.74Å
254G42.5Very low38.5Very low60 Ų60124.1 Ų124.162%0.61968%0.679SS**  trans78.7168.2-177.800000113.6G252G252-G254 VanDerWaalsContact C-N 3.29Å; G252-G254 PolarHBondContact O-N 2.7Å
255A40.9Very low38.6Very low92 Ų92125.7 Ų125.776%0.7669%0.686SS**  trans-64.9127.817900000110.2D257A255-D257 PolarHBondContact O-N 2.78Å
256P46.9Very low38.6Very low82 Ų82132 Ų13253%0.53270%0.698SS.*  trans-58137.5170.4-19.730.8000110Y258P256-Y258 WeakPolarHBondContact O-CD2 3.36Å; P256-Y258 WeakPolarHBondContact O-CE2 3.43Å; P256-Y258 PolarHBondContact O-N 2.85Å
257D47.4Very low38.7Very low90 Ų90131.9 Ų131.948%0.48170%0.699SS.*  trans-69.792.8178.3-179.48.2000110.8A255 S259 K260A255-D257 PolarHBondContact O-N 2.78Å; D257-S259 PolarHBondContact O-N 2.88Å; D257-S259 VanDerWaalsContact O-N 3.1Å; D257-S259 VanDerWaalsContact OD1-CB 3.29Å; D257-S259 WeakPolarHBondContact OD1-CB 3.46Å; D257-S259 PolarHBondContact OD1-N 2.86Å; D257-S259 VanDerWaalsContact OD1-N 3.14Å; D257-S259 PolarHBondContact OD1-OG 2.72Å; D257-S259 PolarHBondContact OD2-OG 3.21Å; D257-K260 PolarHBondContact O-N 2.9Å
258Y45.1Very low38.6Very low161 Ų161134.7 Ų134.763%0.63171%0.707SS**G310 helixtrans-63.4-11.3-179.6-64.5-81.4000113.7P256 K260 I261P256-Y258 WeakPolarHBondContact O-CD2 3.36Å; P256-Y258 WeakPolarHBondContact O-CE2 3.43Å; P256-Y258 PolarHBondContact O-N 2.85Å; Y258-K260 PolarHBondContact O-N 3.11Å; Y258-I261 HydrophobicContact CD1-CD1 3.87Å; Y258-I261 HydrophobicContact CE1-CD1 4.45Å; Y258-I261 PolarHBondContact O-N 3.21Å
259S42.1Very low38.7Very low99 Ų99142.1 Ų142.169%0.69273%0.728SS**G310 helixtrans-71.3-15.4176.773.60000113.4D257D257-S259 PolarHBondContact O-N 2.88Å; D257-S259 VanDerWaalsContact O-N 3.1Å; D257-S259 VanDerWaalsContact OD1-CB 3.29Å; D257-S259 WeakPolarHBondContact OD1-CB 3.46Å; D257-S259 PolarHBondContact OD1-N 2.86Å; D257-S259 VanDerWaalsContact OD1-N 3.14Å; D257-S259 PolarHBondContact OD1-OG 2.72Å; D257-S259 PolarHBondContact OD2-OG 3.21Å
260K40.9Very low38.5Very low172 Ų172145.1 Ų145.175%0.74873%0.732SS**G310 helixtrans-90.8-3175.2-61.8-175-1771790113.7D257 Y258 Q262D257-K260 PolarHBondContact O-N 2.9Å; Y258-K260 PolarHBondContact O-N 3.11Å; K260-Q262 PolarHBondContact O-N 2.91Å
261I41.7Very low37.9Very low101 Ų101145.3 Ų145.352%0.51874%0.738SS.*  trans-95.195.8180-58.5177.7000108.3Y258 I263Y258-I261 HydrophobicContact CD1-CD1 3.87Å; Y258-I261 HydrophobicContact CE1-CD1 4.45Å; Y258-I261 PolarHBondContact O-N 3.21Å; I261-I263 PolarHBondContact O-N 2.66Å
262Q34.9Very low37.8Very low189 Ų189142.9 Ų142.988%0.88373%0.734SS**  trans-72.2112.8167.9-86.5-176.8-3.900109.6K260 P264K260-Q262 PolarHBondContact O-N 2.91Å; Q262-P264 WeakPolarHBondContact O-CD 3.36Å
263I39.8Very low37.6Very low146 Ų146144.8 Ų144.875%0.74973%0.734SS**  trans-79.9114.9171.9-56.5170.2000107.7I261 K265I261-I263 PolarHBondContact O-N 2.66Å; I263-K265 PolarHBondContact O-N 3.42Å
264P32.4Very low37.2Very low120 Ų120145.4 Ų145.478%0.77974%0.743SS**  trans-68.4133.2176.1-14.429.7000110Q262Q262-P264 WeakPolarHBondContact O-CD 3.36Å
265K35.2Very low36.8Very low196 Ų196145.7 Ų145.785%0.85275%0.746SS**  trans-61.2148.3178.6-72.5-177.7178.1178.90111.9I263 D267I263-K265 PolarHBondContact O-N 3.42Å; K265-D267 VanDerWaalsContact C-N 3.28Å; K265-D267 PolarHBondContact O-N 2.84Å
266R36.3Very low36.6Very low233 Ų233150.2 Ų150.288%0.87975%0.751SS**SBendtrans-77.324-157.2-138.9178.6-171179.31.7116.5
267D32.9Very low36.3Very low142 Ų142153.1 Ų153.176%0.75976%0.762SS**  trans-113.723.2-161.9-63.9-33.8000116.1K265K265-D267 VanDerWaalsContact C-N 3.28Å; K265-D267 PolarHBondContact O-N 2.84Å
268K34Very low35.8Very low196 Ų196158.9 Ų158.985%0.85278%0.783SS**  trans-128.651.1174-70.6-168178-174.90113.4
269W36.2Very low35.8Very low249 Ų249157.2 Ų157.294%0.94379%0.785SS**  trans-103.945.1167.8-75.318.7000111.3
270Q30.1Very low35.8Very low171 Ų171158.1 Ų158.180%0.79978%0.778SS**  trans-134.6125.1165.6-75-168.8-19.300110.9
271H27.9Very low35.8Very low158 Ų158159.5 Ų159.573%0.73179%0.787SS**  trans86.5114.1161.7-71.3-64.3000121.4
272N27.9Very low36Very low131 Ų131159.1 Ų159.170%0.70178%0.78SS**  42120.3119-68.1-5.2000119.3
273C35.6Very low36.8Very low116 Ų116151.2 Ų151.278%0.78474%0.744SS**  trans51.6132133.4-50.70000120.1
274V30.6Very low37.6Very low150 Ų150150.1 Ų150.191%0.90974%0.739SS**  trans93122.2159.2-164.20000116.2
275G33.6Very low39.6Very low66 Ų66150 Ų15068%0.6873%0.732SS**  trans102.995.915000000117
276E37.8Very low42Very low186 Ų186142.2 Ų142.287%0.86970%0.699SS**  trans50.2139.3139.5-66.7173.6168.300122.7
277D40.8Very low44.6Very low143 Ų143132.6 Ų132.677%0.76567%0.666SS**  trans67.380.1158.1-64.8-11.3000120.2
278K36.9Very low47.5Very low211 Ų211126 Ų12692%0.91763%0.631SS**  trans-137.926152.3-75.7-167.2179.4177.10112.9
279D43.3Very low50.4Low127 Ų127116.8 Ų116.868%0.67959%0.591SS**  trans-76.2149.4174.4-71.5-36.1000110.3
280H43.7Very low53Low118 Ų118107.6 Ų107.655%0.54656%0.556SS.*SBendtrans118.8-10.1156.8-52.2-22.9000119.4
281Q40Very low56.1Low201 Ų20199.5 Ų99.594%0.93952%0.518SS*.SBendtrans-88.5-21179.1-116176.511.800116.1
282W46.6Very low59.3Low93 Ų9392 Ų9235%0.35248%0.483SS..SBendtrans-92.6-9.8175.3179.984000113.3D284 F286 D314 S315 Y323W282-D284 PolarHBondContact O-N 2.98Å; W282-F286 HydrophobicContact CZ2-CD2 4.16Å; W282-F286 HydrophobicContact CZ2-CE2 4.46Å; W282-D314 HydrophobicContact CH2-CB 3.57Å; W282-D314 VanDerWaalsContact CH2-CG 3.41Å; W282-D314 WeakPolarHBondContact CH2-OD2 3.41Å; W282-D314 HydrophobicContact CZ2-CB 3.36Å; W282-D314 VanDerWaalsContact CZ2-CG 3.45Å; W282-S315 VanDerWaalsContact CE2-OG 3.29Å; W282-S315 WeakPolarHBondContact CZ2-OG 3.01Å; W282-S315 PolarHBondContact NE1-OG 2.93Å; W282-Y323 WeakPolarHBondContact CH2-OH 3.28Å
283V51.8Low62.4Low22 Ų2287.2 Ų87.213%0.13346%0.46CS..SBendtrans-87.1-14.1-157.8-154.30000111.9R290V283-R290 VanDerWaalsContact CB-NH2 3.34Å; V283-R290 HydrophobicContact CG1-CB 3.58Å; V283-R290 HydrophobicContact CG1-CG 3.34Å; V283-R290 PolarHBondContact O-NE 2.78Å; V283-R290 PolarHBondContact O-NH2 2.82Å
284D55.6Low65.2Low123 Ų12386 Ų8666%0.65844%0.443SS*.SBendtrans-78.1-29.8-174.4-76.8-12.5000113.8W282 F286 R290W282-D284 PolarHBondContact O-N 2.98Å; D284-F286 VanDerWaalsContact C-N 3.35Å; D284-R290 IonicContact OD1-CZ 3.57Å; D284-R290 IonicContact OD1-NH2 2.7Å; D284-R290 PolarHBondContact OD1-NH2 3.07Å
285D74.9Confident68.2Low118 Ų11880.2 Ų80.263%0.63141%0.413SS*.SBendtrans-79.7-16.9-179.6-72.7-22.8000113.3
286F86.6Confident71.1Confident33 Ų3380 Ų8015%0.14540%0.397CS..  trans-130.163.7-174.2-62.1-76.4000112.5W282 D284 L288 H289 R290 Q312 D314W282-F286 HydrophobicContact CZ2-CD2 4.16Å; W282-F286 HydrophobicContact CZ2-CE2 4.46Å; D284-F286 VanDerWaalsContact C-N 3.35Å; F286-L288 VanDerWaalsContact C-N 3.28Å; F286-L288 PolarHBondContact O-N 3.2Å; F286-H289 HydrophobicContact CB-CB 4.02Å; F286-H289 AromaticContact CD1-CE1 3.74Å; F286-H289 AromaticContact CD1-ND1 3.92Å; F286-H289 WeakPolarHBondContact O-CB 3.47Å; F286-H289 PolarHBondContact O-N 2.67Å; F286-H289 VanDerWaalsContact O-N 3.13Å; F286-R290 PolarHBondContact O-N 3.03Å; F286-R290 VanDerWaalsContact O-N 3.13Å; F286-Q312 HydrophobicContact CE1-CG 4.31Å; F286-D314 HydrophobicContact CD1-CB 3.93Å; F286-D314 HydrophobicContact CD2-CB 4.01Å; F286-D314 HydrophobicContact CE1-CB 3.93Å; F286-D314 HydrophobicContact CE2-CB 4.02Å; F286-D314 HydrophobicContact CG-CB 3.97Å; F286-D314 HydrophobicContact CZ-CB 3.99Å
287P90.2Very high73.9Confident31 Ų3173.9 Ų73.920%0.20137%0.372CS..Hα-helixtrans-65.5-29.1-173.927.5-36.5000113.3R290 S291 L303 F308P287-R290 PolarHBondContact O-N 2.92Å; P287-S291 PolarHBondContact O-N 3.42Å; P287-S291 PolarHBondContact O-OG 3.29Å; P287-L303 VanDerWaalsContact C-CD1 3.47Å; P287-L303 HydrophobicContact CB-CD1 3.88Å; P287-L303 HydrophobicContact CB-CD2 4.23Å; P287-L303 HydrophobicContact CG-CD1 4.41Å; P287-L303 HydrophobicContact CG-CD2 4.18Å; P287-L303 WeakPolarHBondContact O-CD1 3.27Å; P287-F308 HydrophobicContact CG-CD1 4.19Å; P287-F308 HydrophobicContact CG-CE1 3.48Å; P287-F308 VanDerWaalsContact CG-CE1 3.48Å; P287-F308 HydrophobicContact CG-CZ 3.9Å
288L94.2Very high76.6Confident3 Ų374.8 Ų74.82%0.01637%0.372CS..Hα-helixtrans-69.9-34.9176.8-171.864.2000111.5F286 S291 A292 L300 L303 L304 F308 V310 P320F286-L288 VanDerWaalsContact C-N 3.28Å; F286-L288 PolarHBondContact O-N 3.2Å; L288-S291 PolarHBondContact O-OG 2.97Å; L288-A292 WeakPolarHBondContact O-CB 3.13Å; L288-A292 PolarHBondContact O-N 3.35Å; L288-L300 HydrophobicContact CD1-CG 4.02Å; L288-L303 HydrophobicContact CB-CD1 4.35Å; L288-L303 HydrophobicContact CD1-CB 3.9Å; L288-L303 HydrophobicContact CD1-CD1 4.37Å; L288-L304 HydrophobicContact CD1-CD2 4.03Å; L288-L304 HydrophobicContact CD1-CG 4.2Å; L288-L304 HydrophobicContact CD2-CD2 3.99Å; L288-F308 HydrophobicContact CB-CB 4.37Å; L288-F308 HydrophobicContact CD2-CB 3.97Å; L288-V310 HydrophobicContact CD2-CG1 4.41Å; L288-P320 HydrophobicContact CB-CG 4.21Å; L288-P320 HydrophobicContact CD2-CG 3.83Å; L288-P320 HydrophobicContact CG-CB 4.12Å; L288-P320 HydrophobicContact CG-CG 3.75Å
289H93.4Very high79.3Confident3 Ų367.5 Ų67.51%0.01434%0.342CS..Hα-helixtrans-68.2-43.5174.3-60.264.7000111.4F286 A292 C293 Q312 D314 W318 Y323F286-H289 HydrophobicContact CB-CB 4.02Å; F286-H289 AromaticContact CD1-CE1 3.74Å; F286-H289 AromaticContact CD1-ND1 3.92Å; F286-H289 WeakPolarHBondContact O-CB 3.47Å; F286-H289 PolarHBondContact O-N 2.67Å; F286-H289 VanDerWaalsContact O-N 3.13Å; H289-A292 PolarHBondContact O-N 2.86Å; H289-C293 WeakPolarHBondContact O-CB 3.48Å; H289-C293 PolarHBondContact O-N 2.92Å; H289-Q312 PolarHBondContact CE1-O 3.09Å; H289-Q312 PolarHBondContact NE2-O 3.21Å; H289-D314 IonicContact CD2-OD2 3.19Å; H289-D314 PolarHBondContact CD2-OD2 3.38Å; H289-D314 IonicContact NE2-OD2 2.77Å; H289-W318 PolarHBondContact CD2-O 3.16Å; H289-W318 PolarHBondContact NE2-O 3.34Å; H289-Y323 HydrophobicContact CB-CD2 4.36Å; H289-Y323 AromaticContact CD2-CE2 3.93Å
290R92.6Very high81.8Confident56 Ų5661.5 Ų61.521%0.21131%0.31CS..Hα-helixtrans-55.1-58.2175-171.4-171-47.5-148.4-1.3111.8V283 D284 F286 P287 A292 C293 E294V283-R290 VanDerWaalsContact CB-NH2 3.34Å; V283-R290 HydrophobicContact CG1-CB 3.58Å; V283-R290 HydrophobicContact CG1-CG 3.34Å; V283-R290 PolarHBondContact O-NE 2.78Å; V283-R290 PolarHBondContact O-NH2 2.82Å; D284-R290 IonicContact OD1-CZ 3.57Å; D284-R290 IonicContact OD1-NH2 2.7Å; D284-R290 PolarHBondContact OD1-NH2 3.07Å; F286-R290 PolarHBondContact O-N 3.03Å; F286-R290 VanDerWaalsContact O-N 3.13Å; P287-R290 PolarHBondContact O-N 2.92Å; R290-A292 PolarHBondContact O-N 2.84Å; R290-C293 WeakPolarHBondContact O-CB 3.44Å; R290-C293 PolarHBondContact O-N 3.07Å; R290-E294 WeakPolarHBondContact CD-OE1 3.46Å; R290-E294 VanDerWaalsContact CG-CD 3.44Å; R290-E294 HydrophobicContact CG-CG 4.29Å; R290-E294 WeakPolarHBondContact CG-OE1 3.44Å; R290-E294 PolarHBondContact O-N 2.82Å
291S94.4Very high84.3Confident0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-58.5-36-178.558.70000112.2P287 L288 G295 D296P287-S291 PolarHBondContact O-N 3.42Å; P287-S291 PolarHBondContact O-OG 3.29Å; L288-S291 PolarHBondContact O-OG 2.97Å; S291-G295 PolarHBondContact O-N 3.49Å; S291-D296 PolarHBondContact O-N 3.22Å; S291-D296 VanDerWaalsContact O-N 3.08Å
292A95.4Very high87Confident0 Ų055 Ų550%028%0.282CS..Hα-helixtrans-66.4-41.4175.500000113L288 H289 R290 L300 P320 A324 L336L288-A292 WeakPolarHBondContact O-CB 3.13Å; L288-A292 PolarHBondContact O-N 3.35Å; H289-A292 PolarHBondContact O-N 2.86Å; R290-A292 PolarHBondContact O-N 2.84Å; A292-L300 HydrophobicContact CB-CD1 3.74Å; A292-P320 HydrophobicContact CB-CB 3.88Å; A292-P320 WeakPolarHBondContact CB-O 3.45Å; A292-A324 HydrophobicContact CB-CB 4.27Å; A292-L336 HydrophobicContact CB-CD1 4.17Å
293C93.4Very high89.3Confident32 Ų3251.5 Ų51.522%0.21627%0.27CS..Hα-helixtrans-67.5-46.8176.4179.20000112.3H289 R290 G295 Y323 H327 K329H289-C293 WeakPolarHBondContact O-CB 3.48Å; H289-C293 PolarHBondContact O-N 2.92Å; R290-C293 WeakPolarHBondContact O-CB 3.44Å; R290-C293 PolarHBondContact O-N 3.07Å; C293-G295 VanDerWaalsContact C-N 3.34Å; C293-G295 PolarHBondContact O-N 3.2Å; C293-Y323 HydrophobicContact CB-CD1 4.29Å; C293-Y323 HydrophobicContact CB-CG 4.42Å; C293-H327 PolarHBondContact SG-CD2 3.4Å; C293-H327 PolarHBondContact SG-NE2 3.04Å; C293-K329 WeakPolarHBondContact O-CE 3.21Å; C293-K329 WeakPolarHBondContact O-CG 3.3Å
294E92.6Very high91.4Very high91 Ų9151.4 Ų51.443%0.42527%0.269SS..Hα-helixtrans-72.3-29.9-176.6-70.7171.4-179.900111.8R290 K329R290-E294 WeakPolarHBondContact CD-OE1 3.46Å; R290-E294 VanDerWaalsContact CG-CD 3.44Å; R290-E294 HydrophobicContact CG-CG 4.29Å; R290-E294 WeakPolarHBondContact CG-OE1 3.44Å; R290-E294 PolarHBondContact O-N 2.82Å; E294-K329 WeakPolarHBondContact O-CE 3.49Å; E294-K329 PolarHBondContact O-NZ 2.91Å
295G93.7Very high93.3Very high27 Ų2751 Ų5128%0.27827%0.267SS..THydrogen-bonded Turntrans90.316.4-172.300000113.3S291 C293 T297 S332S291-G295 PolarHBondContact O-N 3.49Å; C293-G295 VanDerWaalsContact C-N 3.34Å; C293-G295 PolarHBondContact O-N 3.2Å; G295-T297 VanDerWaalsContact C-N 3.32Å; G295-T297 PolarHBondContact O-N 2.83Å; G295-S332 WeakPolarHBondContact CA-OG 3.32Å
296D95.6Very high94.1Very high63 Ų6349.3 Ų49.334%0.33726%0.264SS..  trans-7586175.9-173.5-14.2000110S291 E298 L299 L300S291-D296 PolarHBondContact O-N 3.22Å; S291-D296 VanDerWaalsContact O-N 3.08Å; D296-E298 VanDerWaalsContact C-N 3.28Å; D296-E298 PolarHBondContact O-N 2.93Å; D296-E298 PolarHBondContact OD1-N 2.81Å; D296-L299 HydrophobicContact CB-CB 4.16Å; D296-L299 WeakPolarHBondContact OD1-CB 3.33Å; D296-L299 PolarHBondContact OD1-N 2.86Å; D296-L299 WeakPolarHBondContact OD2-CB 3.3Å; D296-L300 WeakPolarHBondContact O-CB 3.3Å; D296-L300 PolarHBondContact O-N 3.23Å
297T96.9Very high94.3Very high56 Ų5650.8 Ų50.834%0.34429%0.289SS..Hα-helixtrans-64.5-30.5-177.856.80000113.3G295 S301 E331 I335G295-T297 VanDerWaalsContact C-N 3.32Å; G295-T297 PolarHBondContact O-N 2.83Å; T297-S301 WeakPolarHBondContact O-CB 3.29Å; T297-S301 PolarHBondContact O-N 2.97Å; T297-E331 HydrophobicContact CG2-CB 3.66Å; T297-I335 HydrophobicContact CG2-CD1 3.75Å
298E96.4Very high94.3Very high163 Ų16353 Ų5376%0.76230%0.295SS*.Hα-helixtrans-71.8-49.9-179.4-123.4-178-175.300110.4D296 S301 K302D296-E298 VanDerWaalsContact C-N 3.28Å; D296-E298 PolarHBondContact O-N 2.93Å; D296-E298 PolarHBondContact OD1-N 2.81Å; E298-S301 PolarHBondContact O-N 3.5Å; E298-K302 WeakPolarHBondContact O-CB 3.32Å; E298-K302 PolarHBondContact O-N 2.89Å
299L94.7Very high94.1Very high58 Ų5854.9 Ų54.930%0.30431%0.309SS..Hα-helixtrans-62.9-44.7175179.959000111.2D296 S301 K302 L303D296-L299 HydrophobicContact CB-CB 4.16Å; D296-L299 WeakPolarHBondContact OD1-CB 3.33Å; D296-L299 PolarHBondContact OD1-N 2.86Å; D296-L299 WeakPolarHBondContact OD2-CB 3.3Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-S301 PolarHBondContact O-N 2.88Å; L299-K302 PolarHBondContact O-N 3.25Å; L299-L303 HydrophobicContact CD1-CD1 4.04Å; L299-L303 HydrophobicContact CD1-CG 4.03Å; L299-L303 HydrophobicContact CG-CD1 3.86Å; L299-L303 HydrophobicContact CG-CG 4.31Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 VanDerWaalsContact O-CG 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 2.79Å
300L95.9Very high94.1Very high0 Ų055.7 Ų55.70%031%0.313CS..Hα-helixtrans-57.8-47.5178-172.5144.6000111.1L288 A292 D296 K302 L303 L304 I335 L336L288-L300 HydrophobicContact CD1-CG 4.02Å; A292-L300 HydrophobicContact CB-CD1 3.74Å; D296-L300 WeakPolarHBondContact O-CB 3.3Å; D296-L300 PolarHBondContact O-N 3.23Å; L300-K302 PolarHBondContact O-N 3.32Å; L300-L303 PolarHBondContact O-N 2.74Å; L300-L304 HydrophobicContact CD2-CD1 3.85Å; L300-L304 HydrophobicContact CD2-CG 4.49Å; L300-L304 WeakPolarHBondContact O-CG 3.39Å; L300-L304 PolarHBondContact O-N 3.46Å; L300-L304 VanDerWaalsContact O-N 3.09Å; L300-I335 HydrophobicContact CD2-CB 3.73Å; L300-I335 HydrophobicContact CD2-CG2 3.27Å; L300-L336 HydrophobicContact CD1-CD1 4.3Å; L300-L336 HydrophobicContact CD1-CD2 4.26Å; L300-L336 HydrophobicContact CD1-CG 4.12Å; L300-L336 HydrophobicContact CD2-CD2 4.17Å; L300-L336 HydrophobicContact CD2-CG 4.17Å; L300-L336 HydrophobicContact CG-CD2 4.44Å
301S96.6Very high93.9Very high37 Ų3758.1 Ų58.126%0.25933%0.325SS..Hα-helixtrans-59.9-44.1177.3-173.70000111.9T297 E298 L299 L304 D305 K339T297-S301 WeakPolarHBondContact O-CB 3.29Å; T297-S301 PolarHBondContact O-N 2.97Å; E298-S301 PolarHBondContact O-N 3.5Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-S301 PolarHBondContact O-N 2.88Å; S301-L304 PolarHBondContact O-N 2.95Å; S301-D305 PolarHBondContact O-N 3.4Å; S301-D305 VanDerWaalsContact O-N 3.17Å; S301-K339 PolarHBondContact O-NZ 3.21Å; S301-K339 PolarHBondContact OG-NZ 3Å
302K96.4Very high93.6Very high147 Ų14761.7 Ų61.764%0.63934%0.342SS*.Hα-helixtrans-66-38.9178.4-175.9-179.9179.3-178.80113E298 L299 L300 D305 S306E298-K302 WeakPolarHBondContact O-CB 3.32Å; E298-K302 PolarHBondContact O-N 2.89Å; L299-K302 PolarHBondContact O-N 3.25Å; L300-K302 PolarHBondContact O-N 3.32Å; K302-D305 PolarHBondContact O-N 2.91Å; K302-S306 PolarHBondContact O-N 2.94Å; K302-S306 PolarHBondContact O-OG 3.03Å
303L94.8Very high93.2Very high18 Ų1865.1 Ų65.19%0.09436%0.36CS..Hα-helixtrans-67-38.4177.2-70.6169.9000111.3P287 L288 L299 L300 S306 G307 F308P287-L303 VanDerWaalsContact C-CD1 3.47Å; P287-L303 HydrophobicContact CB-CD1 3.88Å; P287-L303 HydrophobicContact CB-CD2 4.23Å; P287-L303 HydrophobicContact CG-CD1 4.41Å; P287-L303 HydrophobicContact CG-CD2 4.18Å; P287-L303 WeakPolarHBondContact O-CD1 3.27Å; L288-L303 HydrophobicContact CB-CD1 4.35Å; L288-L303 HydrophobicContact CD1-CB 3.9Å; L288-L303 HydrophobicContact CD1-CD1 4.37Å; L299-L303 HydrophobicContact CD1-CD1 4.04Å; L299-L303 HydrophobicContact CD1-CG 4.03Å; L299-L303 HydrophobicContact CG-CD1 3.86Å; L299-L303 HydrophobicContact CG-CG 4.31Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 VanDerWaalsContact O-CG 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 2.79Å; L300-L303 PolarHBondContact O-N 2.74Å; L303-S306 CarbonylContact O-C 3.56Å; L303-S306 WeakPolarHBondContact O-CB 3.47Å; L303-S306 PolarHBondContact O-N 3.03Å; L303-S306 VanDerWaalsContact O-N 3.15Å; L303-G307 PolarHBondContact O-N 3.43Å; L303-F308 HydrophobicContact CB-CB 4.44Å; L303-F308 HydrophobicContact CB-CD2 4.11Å; L303-F308 HydrophobicContact CB-CG 4.33Å; L303-F308 HydrophobicContact CD2-CD2 3.85Å; L303-F308 HydrophobicContact CD2-CE2 3.59Å; L303-F308 HydrophobicContact CD2-CG 4.4Å; L303-F308 HydrophobicContact CD2-CZ 3.95Å; L303-F308 WeakPolarHBondContact O-CB 3.23Å; L303-F308 VanDerWaalsContact O-CD2 3.28Å; L303-F308 WeakPolarHBondContact O-CD2 3.41Å; L303-F308 PolarHBondContact O-N 2.73Å
304L95.1Very high92.8Very high21 Ų2163.9 Ų63.911%0.1135%0.352CS..Hα-helixtrans-62.3-42.3173.2-66.7175.9000112.2L288 L300 S301 S306 G307 V310 I335 L336 K339L288-L304 HydrophobicContact CD1-CD2 4.03Å; L288-L304 HydrophobicContact CD1-CG 4.2Å; L288-L304 HydrophobicContact CD2-CD2 3.99Å; L300-L304 HydrophobicContact CD2-CD1 3.85Å; L300-L304 HydrophobicContact CD2-CG 4.49Å; L300-L304 WeakPolarHBondContact O-CG 3.39Å; L300-L304 PolarHBondContact O-N 3.46Å; L300-L304 VanDerWaalsContact O-N 3.09Å; S301-L304 PolarHBondContact O-N 2.95Å; L304-S306 PolarHBondContact O-N 3.06Å; L304-G307 PolarHBondContact O-N 3.25Å; L304-V310 HydrophobicContact CD2-CG1 3.28Å; L304-I335 HydrophobicContact CD1-CG2 3.84Å; L304-L336 HydrophobicContact CD2-CD2 4.46Å; L304-K339 HydrophobicContact CD1-CB 4.35Å; L304-K339 HydrophobicContact CD1-CD 4.29Å; L304-K339 HydrophobicContact CD1-CG 4.36Å
305D94.9Very high92.4Very high115 Ų11562.9 Ų62.962%0.61535%0.354SS*.Hα-helixtrans-63.7-28.5175.3-68.7-27000112.4S301 K302 G307 K339S301-D305 PolarHBondContact O-N 3.4Å; S301-D305 VanDerWaalsContact O-N 3.17Å; K302-D305 PolarHBondContact O-N 2.91Å; D305-G307 PolarHBondContact O-N 2.79Å; D305-K339 WeakPolarHBondContact OD1-CE 3.19Å; D305-K339 IonicContact OD1-NZ 2.69Å; D305-K339 PolarHBondContact OD1-NZ 3.41Å; D305-K339 IonicContact OD2-NZ 2.86Å; D305-K339 PolarHBondContact OD2-NZ 3.36Å
306S93.1Very high91.7Very high81 Ų8165.8 Ų65.857%0.56636%0.364SS*.THydrogen-bonded Turntrans-80.13.3176.5-53.40000113.3K302 L303 L304K302-S306 PolarHBondContact O-N 2.94Å; K302-S306 PolarHBondContact O-OG 3.03Å; L303-S306 CarbonylContact O-C 3.56Å; L303-S306 WeakPolarHBondContact O-CB 3.47Å; L303-S306 PolarHBondContact O-N 3.03Å; L303-S306 VanDerWaalsContact O-N 3.15Å; L304-S306 PolarHBondContact O-N 3.06Å
307G89.8Confident91.3Very high65 Ų6567.6 Ų67.667%0.6737%0.37SS*.THydrogen-bonded Turntrans83.715.2175.500000115.2L303 L304 D305 S309L303-G307 PolarHBondContact O-N 3.43Å; L304-G307 PolarHBondContact O-N 3.25Å; D305-G307 PolarHBondContact O-N 2.79Å; G307-S309 PolarHBondContact O-N 3.12Å
308F91Very high91.1Very high78 Ų7866.8 Ų66.834%0.34236%0.361SS..  trans-63137.2173.8-79.3-102.4000111P287 L288 L303 V310P287-F308 HydrophobicContact CG-CD1 4.19Å; P287-F308 HydrophobicContact CG-CE1 3.48Å; P287-F308 VanDerWaalsContact CG-CE1 3.48Å; P287-F308 HydrophobicContact CG-CZ 3.9Å; L288-F308 HydrophobicContact CB-CB 4.37Å; L288-F308 HydrophobicContact CD2-CB 3.97Å; L303-F308 HydrophobicContact CB-CB 4.44Å; L303-F308 HydrophobicContact CB-CD2 4.11Å; L303-F308 HydrophobicContact CB-CG 4.33Å; L303-F308 HydrophobicContact CD2-CD2 3.85Å; L303-F308 HydrophobicContact CD2-CE2 3.59Å; L303-F308 HydrophobicContact CD2-CG 4.4Å; L303-F308 HydrophobicContact CD2-CZ 3.95Å; L303-F308 WeakPolarHBondContact O-CB 3.23Å; L303-F308 VanDerWaalsContact O-CD2 3.28Å; L303-F308 WeakPolarHBondContact O-CD2 3.41Å; L303-F308 PolarHBondContact O-N 2.73Å; F308-V310 PolarHBondContact O-N 3.42Å
309S90.6Very high90.9Very high42 Ų4259 Ų5929%0.29432%0.324SS..  trans-80117.3-173.7172.20000111.7G307 K311 Q312G307-S309 PolarHBondContact O-N 3.12Å; S309-K311 PolarHBondContact O-N 3.33Å; S309-K311 VanDerWaalsContact O-N 3.16Å; S309-K311 WeakPolarHBondContact OG-CG 3.37Å; S309-K311 PolarHBondContact OG-N 3.49Å; S309-Q312 WeakPolarHBondContact O-CB 3.41Å; S309-Q312 PolarHBondContact O-N 3.36Å; S309-Q312 PolarHBondContact OG-N 3.11Å
310V92.6Very high91Very high19 Ų1956.3 Ų56.312%0.11531%0.31CS..THydrogen-bonded Turntrans-64.4-15.2172.4-63.60000114.2L288 L304 F308 L336 G340 C342L288-V310 HydrophobicContact CD2-CG1 4.41Å; L304-V310 HydrophobicContact CD2-CG1 3.28Å; F308-V310 PolarHBondContact O-N 3.42Å; V310-L336 HydrophobicContact CG1-CD2 4.08Å; V310-G340 WeakPolarHBondContact CG2-O 3.5Å; V310-C342 HydrophobicContact CB-CB 4.2Å; V310-C342 HydrophobicContact CG2-CB 4.14Å
311K88.8Confident91.2Very high107 Ų10756.3 Ų56.347%0.46531%0.31SS..THydrogen-bonded Turntrans-99.9-0.6179.663.7-179.4180-168.10113S309 L313 E485S309-K311 PolarHBondContact O-N 3.33Å; S309-K311 VanDerWaalsContact O-N 3.16Å; S309-K311 WeakPolarHBondContact OG-CG 3.37Å; S309-K311 PolarHBondContact OG-N 3.49Å; K311-L313 PolarHBondContact O-N 3.37Å; K311-E485 IonicContact NZ-OE1 2.98Å; K311-E485 PolarHBondContact NZ-OE1 2.94Å; K311-E485 IonicContact NZ-OE2 3.26Å; K311-E485 PolarHBondContact NZ-OE2 2.88Å
312Q87.9Confident91.2Very high76 Ų7654.5 Ų54.536%0.35530%0.298SS..  trans-66.1130178.4-176.9173.52.700109.8F286 H289 S309 A319F286-Q312 HydrophobicContact CE1-CG 4.31Å; H289-Q312 PolarHBondContact CE1-O 3.09Å; H289-Q312 PolarHBondContact NE2-O 3.21Å; S309-Q312 WeakPolarHBondContact O-CB 3.41Å; S309-Q312 PolarHBondContact O-N 3.36Å; S309-Q312 PolarHBondContact OG-N 3.11Å; Q312-A319 WeakPolarHBondContact O-CA 3.2Å
313L87.4Confident91.2Very high71 Ų7148.7 Ų48.737%0.37227%0.272SS..  trans-95.8140.1172.2-57.8-176.3000109.1K311 H317 W318 A319K311-L313 PolarHBondContact O-N 3.37Å; L313-H317 HydrophobicContact CD1-CB 4.47Å; L313-W318 WeakPolarHBondContact CA-O 3.35Å; L313-A319 HydrophobicContact CD2-CB 3.88Å
314D83.3Confident91.4Very high7 Ų747.9 Ų47.94%0.03727%0.267CS..  trans-87.3-164.6173.662.726.3000112.4W282 F286 H289 D316 H317 W318 Y323W282-D314 HydrophobicContact CH2-CB 3.57Å; W282-D314 VanDerWaalsContact CH2-CG 3.41Å; W282-D314 WeakPolarHBondContact CH2-OD2 3.41Å; W282-D314 HydrophobicContact CZ2-CB 3.36Å; W282-D314 VanDerWaalsContact CZ2-CG 3.45Å; F286-D314 HydrophobicContact CD1-CB 3.93Å; F286-D314 HydrophobicContact CD2-CB 4.01Å; F286-D314 HydrophobicContact CE1-CB 3.93Å; F286-D314 HydrophobicContact CE2-CB 4.02Å; F286-D314 HydrophobicContact CG-CB 3.97Å; F286-D314 HydrophobicContact CZ-CB 3.99Å; H289-D314 IonicContact CD2-OD2 3.19Å; H289-D314 PolarHBondContact CD2-OD2 3.38Å; H289-D314 IonicContact NE2-OD2 2.77Å; D314-D316 VanDerWaalsContact C-N 3.3Å; D314-D316 PolarHBondContact O-N 2.88Å; D314-D316 WeakPolarHBondContact OD1-CA 3.25Å; D314-D316 PolarHBondContact OD1-N 3.2Å; D314-H317 WeakPolarHBondContact O-CA 3.43Å; D314-H317 PolarHBondContact O-N 3.32Å; D314-H317 VanDerWaalsContact O-N 3.1Å; D314-H317 PolarHBondContact OD1-N 3.47Å; D314-W318 VanDerWaalsContact CG-O 3.28Å; D314-W318 PolarHBondContact N-O 3.21Å; D314-W318 PolarHBondContact OD1-N 2.87Å; D314-Y323 WeakPolarHBondContact OD2-CE2 3.49Å; D314-Y323 PolarHBondContact OD2-OH 3.3Å; D314-Y323 VanDerWaalsContact OD2-OH 3.14Å
315S84.4Confident91.5Very high69 Ų6946.9 Ų46.948%0.48326%0.262SS..THydrogen-bonded Turntrans-68.5-24.3178.966.60000114.7W282W282-S315 VanDerWaalsContact CE2-OG 3.29Å; W282-S315 WeakPolarHBondContact CZ2-OG 3.01Å; W282-S315 PolarHBondContact NE1-OG 2.93Å
316D79.2Confident91.6Very high89 Ų8945.4 Ų45.448%0.47625%0.248SC..THydrogen-bonded Turntrans-86.10.8174.3-65.7-28.2000111.6D314 W318 Q350D314-D316 VanDerWaalsContact C-N 3.3Å; D314-D316 PolarHBondContact O-N 2.88Å; D314-D316 WeakPolarHBondContact OD1-CA 3.25Å; D314-D316 PolarHBondContact OD1-N 3.2Å; D316-W318 VanDerWaalsContact C-N 3.3Å; D316-W318 VanDerWaalsContact O-CD1 3.26Å; D316-Q350 PolarHBondContact O-NE2 3.41Å
317H88.2Confident91.7Very high100 Ų10045.6 Ų45.646%0.46324%0.24SC..SBendtrans63.634.2-175.1-54.4-50.1000112.9L313 D314 N348 G349L313-H317 HydrophobicContact CD1-CB 4.47Å; D314-H317 WeakPolarHBondContact O-CA 3.43Å; D314-H317 PolarHBondContact O-N 3.32Å; D314-H317 VanDerWaalsContact O-N 3.1Å; D314-H317 PolarHBondContact OD1-N 3.47Å; H317-N348 WeakPolarHBondContact O-CA 3.39Å; H317-N348 WeakPolarHBondContact O-CB 3.39Å; H317-G349 PolarHBondContact O-N 2.95Å
318W91.1Very high92Very high40 Ų4043.6 Ų43.615%0.15222%0.219CC..  trans-105.4142.8176.5-75.629.1000110.6H289 L313 D314 D316 H322 Y323 W326 N348 F357H289-W318 PolarHBondContact CD2-O 3.16Å; H289-W318 PolarHBondContact NE2-O 3.34Å; L313-W318 WeakPolarHBondContact CA-O 3.35Å; D314-W318 VanDerWaalsContact CG-O 3.28Å; D314-W318 PolarHBondContact N-O 3.21Å; D314-W318 PolarHBondContact OD1-N 2.87Å; D316-W318 VanDerWaalsContact C-N 3.3Å; D316-W318 VanDerWaalsContact O-CD1 3.26Å; W318-H322 HydrophobicContact CB-CB 4.4Å; W318-H322 HydrophobicContact CD2-CB 4.25Å; W318-H322 HydrophobicContact CE3-CB 4.06Å; W318-H322 HydrophobicContact CG-CB 4.39Å; W318-Y323 HydrophobicContact CB-CD2 4.18Å; W318-Y323 HydrophobicContact CB-CE2 3.46Å; W318-Y323 VanDerWaalsContact CB-CE2 3.46Å; W318-Y323 HydrophobicContact CD2-CE2 4.36Å; W318-Y323 HydrophobicContact CE3-CD1 4.14Å; W318-Y323 HydrophobicContact CE3-CD2 4.1Å; W318-Y323 AromaticContact CE3-CE1 3.92Å; W318-Y323 HydrophobicContact CE3-CE1 3.92Å; W318-Y323 AromaticContact CE3-CE2 3.85Å; W318-Y323 HydrophobicContact CE3-CE2 3.85Å; W318-Y323 HydrophobicContact CE3-CG 4.22Å; W318-Y323 AromaticContact CE3-CZ 3.77Å; W318-Y323 HydrophobicContact CG-CE2 4.29Å; W318-Y323 HydrophobicContact CZ3-CD1 4.37Å; W318-Y323 HydrophobicContact CZ3-CE1 4.28Å; W318-W326 HydrophobicContact CH2-CD2 4.3Å; W318-W326 HydrophobicContact CH2-CG 4.33Å; W318-W326 HydrophobicContact CZ3-CB 4.18Å; W318-W326 HydrophobicContact CZ3-CG 4.13Å; W318-N348 PolarHBondContact NE1-ND2 2.86Å; W318-N348 VanDerWaalsContact NE1-ND2 3.15Å; W318-F357 HydrophobicContact CD2-CZ 4.25Å; W318-F357 AromaticContact CE2-CE1 3.99Å; W318-F357 AromaticContact CE2-CZ 3.68Å; W318-F357 HydrophobicContact CE3-CE1 4.49Å; W318-F357 HydrophobicContact CH2-CD1 4.11Å; W318-F357 AromaticContact CH2-CE1 3.29Å; W318-F357 HydrophobicContact CH2-CE1 3.29Å; W318-F357 AromaticContact CH2-CZ 3.88Å; W318-F357 HydrophobicContact CH2-CZ 3.88Å; W318-F357 AromaticContact CZ2-CE1 3.34Å; W318-F357 HydrophobicContact CZ2-CE1 3.34Å; W318-F357 AromaticContact CZ2-CZ 3.49Å; W318-F357 HydrophobicContact CZ2-CZ 3.49Å; W318-F357 VanDerWaalsContact CZ2-CZ 3.49Å; W318-F357 HydrophobicContact CZ3-CD1 4.42Å; W318-F357 AromaticContact CZ3-CE1 3.9Å; W318-F357 HydrophobicContact CZ3-CE1 3.9Å; W318-F357 HydrophobicContact CZ3-CZ 4.39Å
319A94.2Very high92.4Very high0 Ų043.3 Ų43.30%022%0.218CC..  trans-92.1159.7168.500000110.7Q312 L313 I321 H322 L346Q312-A319 WeakPolarHBondContact O-CA 3.2Å; L313-A319 HydrophobicContact CD2-CB 3.88Å; A319-I321 HydrophobicContact CB-CG2 4.34Å; A319-I321 PolarHBondContact O-N 3.36Å; A319-I321 VanDerWaalsContact O-N 3.08Å; A319-H322 WeakPolarHBondContact CB-ND1 3.32Å; A319-H322 PolarHBondContact N-ND1 3.1Å; A319-H322 WeakPolarHBondContact O-CB 3.43Å; A319-H322 PolarHBondContact O-N 2.84Å; A319-H322 PolarHBondContact O-ND1 3.27Å; A319-L346 HydrophobicContact CB-CD2 3.47Å; A319-L346 VanDerWaalsContact CB-CD2 3.47Å
320P96.9Very high92.7Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-52.4-37.4-178.3-27.334.2000114.3L288 A292 H322 Y323 A324 L336L288-P320 HydrophobicContact CB-CG 4.21Å; L288-P320 HydrophobicContact CD2-CG 3.83Å; L288-P320 HydrophobicContact CG-CB 4.12Å; L288-P320 HydrophobicContact CG-CG 3.75Å; A292-P320 HydrophobicContact CB-CB 3.88Å; A292-P320 WeakPolarHBondContact CB-O 3.45Å; P320-H322 VanDerWaalsContact C-N 3.25Å; P320-H322 PolarHBondContact O-N 3.16Å; P320-Y323 PolarHBondContact O-N 3.3Å; P320-A324 PolarHBondContact O-N 3.4Å; P320-A324 VanDerWaalsContact O-N 3.07Å; P320-L336 HydrophobicContact CB-CD1 4.14Å; P320-L336 HydrophobicContact CB-CD2 4.23Å
321I98.3Very high93Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-63.8-28.9179.3-168.4167.1000113A319 C325 T333 L336 L337 C342 L346 P354A319-I321 HydrophobicContact CB-CG2 4.34Å; A319-I321 PolarHBondContact O-N 3.36Å; A319-I321 VanDerWaalsContact O-N 3.08Å; I321-C325 WeakPolarHBondContact O-CB 3.14Å; I321-C325 PolarHBondContact O-N 3.35Å; I321-C325 PolarHBondContact O-SG 3.22Å; I321-T333 HydrophobicContact CG1-CG2 4.37Å; I321-L336 HydrophobicContact CB-CD1 4.02Å; I321-L337 HydrophobicContact CD1-CD2 3.74Å; I321-L337 HydrophobicContact CD1-CG 4.1Å; I321-C342 HydrophobicContact CD1-CB 4.32Å; I321-L346 HydrophobicContact CG2-CD2 4.21Å; I321-P354 HydrophobicContact CD1-CB 4.26Å; I321-P354 HydrophobicContact CD1-CG 3.99Å; I321-P354 HydrophobicContact CG1-CB 4.19Å; I321-P354 HydrophobicContact CG1-CG 4.02Å; I321-P354 HydrophobicContact CG2-CG 3.87Å
322H97.8Very high93.4Very high0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-70.1-40.1176.9-54.499.9000111W318 A319 P320 C325 W326 L346 N348 F357W318-H322 HydrophobicContact CB-CB 4.4Å; W318-H322 HydrophobicContact CD2-CB 4.25Å; W318-H322 HydrophobicContact CE3-CB 4.06Å; W318-H322 HydrophobicContact CG-CB 4.39Å; A319-H322 WeakPolarHBondContact CB-ND1 3.32Å; A319-H322 PolarHBondContact N-ND1 3.1Å; A319-H322 WeakPolarHBondContact O-CB 3.43Å; A319-H322 PolarHBondContact O-N 2.84Å; A319-H322 PolarHBondContact O-ND1 3.27Å; P320-H322 VanDerWaalsContact C-N 3.25Å; P320-H322 PolarHBondContact O-N 3.16Å; H322-C325 PolarHBondContact O-N 2.89Å; H322-W326 VanDerWaalsContact O-CB 3.25Å; H322-W326 WeakPolarHBondContact O-CB 3.43Å; H322-W326 PolarHBondContact O-N 3.17Å; H322-L346 PolarHBondContact NE2-O 3.07Å; H322-N348 PolarHBondContact NE2-N 3.15Å; H322-F357 HydrophobicContact CB-CD2 4.04Å; H322-F357 HydrophobicContact CB-CE2 4.03Å; H322-F357 AromaticContact CD2-CD2 3.64Å; H322-F357 AromaticContact CD2-CE2 3.58Å
323Y96.5Very high93.9Very high25 Ų2538.9 Ų38.910%0.09820%0.196CC..Hα-helixtrans-64.7-45.7173.6-73.8-84.2000111.9W282 H289 C293 D314 W318 P320 C325 W326 H327W282-Y323 WeakPolarHBondContact CH2-OH 3.28Å; H289-Y323 HydrophobicContact CB-CD2 4.36Å; H289-Y323 AromaticContact CD2-CE2 3.93Å; C293-Y323 HydrophobicContact CB-CD1 4.29Å; C293-Y323 HydrophobicContact CB-CG 4.42Å; D314-Y323 WeakPolarHBondContact OD2-CE2 3.49Å; D314-Y323 PolarHBondContact OD2-OH 3.3Å; D314-Y323 VanDerWaalsContact OD2-OH 3.14Å; W318-Y323 HydrophobicContact CB-CD2 4.18Å; W318-Y323 HydrophobicContact CB-CE2 3.46Å; W318-Y323 VanDerWaalsContact CB-CE2 3.46Å; W318-Y323 HydrophobicContact CD2-CE2 4.36Å; W318-Y323 HydrophobicContact CE3-CD1 4.14Å; W318-Y323 HydrophobicContact CE3-CD2 4.1Å; W318-Y323 AromaticContact CE3-CE1 3.92Å; W318-Y323 HydrophobicContact CE3-CE1 3.92Å; W318-Y323 AromaticContact CE3-CE2 3.85Å; W318-Y323 HydrophobicContact CE3-CE2 3.85Å; W318-Y323 HydrophobicContact CE3-CG 4.22Å; W318-Y323 AromaticContact CE3-CZ 3.77Å; W318-Y323 HydrophobicContact CG-CE2 4.29Å; W318-Y323 HydrophobicContact CZ3-CD1 4.37Å; W318-Y323 HydrophobicContact CZ3-CE1 4.28Å; P320-Y323 PolarHBondContact O-N 3.3Å; Y323-C325 VanDerWaalsContact C-N 3.3Å; Y323-C325 PolarHBondContact O-N 3.35Å; Y323-W326 PolarHBondContact O-N 3.01Å; Y323-H327 WeakPolarHBondContact O-CB 3.48Å; Y323-H327 PolarHBondContact O-CD2 3.27Å; Y323-H327 PolarHBondContact O-N 3.4Å
324A97.9Very high94.5Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-57.6-44.8176.800000111.4A292 P320 G328 K329 T333 L336A292-A324 HydrophobicContact CB-CB 4.27Å; P320-A324 PolarHBondContact O-N 3.4Å; P320-A324 VanDerWaalsContact O-N 3.07Å; A324-G328 PolarHBondContact O-N 3.42Å; A324-K329 HydrophobicContact CB-CB 4.41Å; A324-K329 PolarHBondContact O-N 3.09Å; A324-T333 WeakPolarHBondContact CB-OG1 3.46Å; A324-L336 HydrophobicContact CB-CD1 4.17Å
325C98.1Very high95.2Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-67.4-40.6176.2-72.30000113.3I321 H322 Y323 G328 F357 A358 H363I321-C325 WeakPolarHBondContact O-CB 3.14Å; I321-C325 PolarHBondContact O-N 3.35Å; I321-C325 PolarHBondContact O-SG 3.22Å; H322-C325 PolarHBondContact O-N 2.89Å; Y323-C325 VanDerWaalsContact C-N 3.3Å; Y323-C325 PolarHBondContact O-N 3.35Å; C325-G328 PolarHBondContact O-N 2.95Å; C325-F357 HydrophobicContact CB-CB 3.76Å; C325-A358 HydrophobicContact CB-CB 4.26Å; C325-H363 PolarHBondContact O-CD2 3.46Å
326W96.8Very high95.8Very high85 Ų8537 Ų3732%0.32218%0.177SC..Hα-helixtrans-66-43.1-179.5177.8-106.5000112W318 H322 Y323 G328 F357 R360 H363W318-W326 HydrophobicContact CH2-CD2 4.3Å; W318-W326 HydrophobicContact CH2-CG 4.33Å; W318-W326 HydrophobicContact CZ3-CB 4.18Å; W318-W326 HydrophobicContact CZ3-CG 4.13Å; H322-W326 VanDerWaalsContact O-CB 3.25Å; H322-W326 WeakPolarHBondContact O-CB 3.43Å; H322-W326 PolarHBondContact O-N 3.17Å; Y323-W326 PolarHBondContact O-N 3.01Å; W326-G328 VanDerWaalsContact C-N 3.33Å; W326-G328 PolarHBondContact O-N 3.05Å; W326-F357 HydrophobicContact CB-CD1 4.09Å; W326-F357 HydrophobicContact CD2-CD1 4.23Å; W326-F357 AromaticContact CE3-CD1 3.6Å; W326-F357 HydrophobicContact CE3-CD1 3.6Å; W326-F357 HydrophobicContact CE3-CE1 4.14Å; W326-F357 HydrophobicContact CG-CD1 4.49Å; W326-F357 HydrophobicContact CZ3-CD1 4.31Å; W326-R360 HydrophobicContact CZ3-CG 3.97Å; W326-H363 PolarHBondContact O-NE2 3.1Å
327H95.1Very high96.7Very high85 Ų8533.1 Ų33.139%0.39416%0.156SC..THydrogen-bonded Turntrans-87.46.6-179.2-71-80.9000114.3C293 Y323 K329C293-H327 PolarHBondContact SG-CD2 3.4Å; C293-H327 PolarHBondContact SG-NE2 3.04Å; Y323-H327 WeakPolarHBondContact O-CB 3.48Å; Y323-H327 PolarHBondContact O-CD2 3.27Å; Y323-H327 PolarHBondContact O-N 3.4Å; H327-K329 VanDerWaalsContact C-N 3.31Å; H327-K329 HydrophobicContact CB-CG 4.1Å; H327-K329 PolarHBondContact O-N 3.4Å
328G96.4Very high97.1Very high23 Ų2334.2 Ų34.224%0.23716%0.162CC..THydrogen-bonded Turntrans68.925.4176.200000114.3A324 C325 W326 V330 H363A324-G328 PolarHBondContact O-N 3.42Å; C325-G328 PolarHBondContact O-N 2.95Å; W326-G328 VanDerWaalsContact C-N 3.33Å; W326-G328 PolarHBondContact O-N 3.05Å; G328-V330 PolarHBondContact O-N 2.84Å; G328-V330 VanDerWaalsContact O-N 3.15Å; G328-H363 PolarHBondContact N-NE2 3.39Å
329K98.1Very high97.3Very high72 Ų7236.1 Ų36.131%0.31317%0.171SC..  trans-84.488-179.4-54-59.9177.3156.30111.1C293 E294 A324 H327 S332 T333C293-K329 WeakPolarHBondContact O-CE 3.21Å; C293-K329 WeakPolarHBondContact O-CG 3.3Å; E294-K329 WeakPolarHBondContact O-CE 3.49Å; E294-K329 PolarHBondContact O-NZ 2.91Å; A324-K329 HydrophobicContact CB-CB 4.41Å; A324-K329 PolarHBondContact O-N 3.09Å; H327-K329 VanDerWaalsContact C-N 3.31Å; H327-K329 HydrophobicContact CB-CG 4.1Å; H327-K329 PolarHBondContact O-N 3.4Å; K329-S332 PolarHBondContact O-N 3.18Å; K329-T333 PolarHBondContact O-N 3.4Å; K329-T333 PolarHBondContact O-OG1 2.87Å
330V98.3Very high97.2Very high47 Ų4737 Ų3729%0.28518%0.179SC..Hα-helixtrans-58.1-55.3-176.4179.90000112G328 S332 T333 K334 D365 I366G328-V330 PolarHBondContact O-N 2.84Å; G328-V330 VanDerWaalsContact O-N 3.15Å; V330-S332 PolarHBondContact O-N 2.78Å; V330-T333 WeakPolarHBondContact O-CB 3.35Å; V330-T333 PolarHBondContact O-N 3.43Å; V330-T333 VanDerWaalsContact O-N 3.13Å; V330-K334 PolarHBondContact O-N 2.88Å; V330-D365 HydrophobicContact CG1-CB 4.47Å; V330-D365 HydrophobicContact CG2-CB 3.84Å; V330-I366 HydrophobicContact CB-CG1 4.38Å; V330-I366 HydrophobicContact CG2-CD1 4.41Å; V330-I366 HydrophobicContact CG2-CG1 3.76Å
331E98.2Very high97.1Very high103 Ų10344.6 Ų44.648%0.48121%0.213SC..Hα-helixtrans-65.6-37.6-177-68-55.2128.900112.6T297 T333 K334 I335T297-E331 HydrophobicContact CG2-CB 3.66Å; E331-T333 VanDerWaalsContact C-N 3.33Å; E331-T333 PolarHBondContact O-N 3.01Å; E331-K334 PolarHBondContact O-N 2.92Å; E331-I335 VanDerWaalsContact O-CG1 3.31Å; E331-I335 WeakPolarHBondContact O-CG1 3.39Å; E331-I335 PolarHBondContact O-N 2.91Å
332S98.3Very high97Very high1 Ų144.7 Ų44.71%0.00721%0.213CC..Hα-helixtrans-60.5-43.3172.4-650000111.7G295 K329 V330 K334 I335 L336G295-S332 WeakPolarHBondContact CA-OG 3.32Å; K329-S332 PolarHBondContact O-N 3.18Å; V330-S332 PolarHBondContact O-N 2.78Å; S332-K334 VanDerWaalsContact C-N 3.34Å; S332-K334 PolarHBondContact O-N 2.97Å; S332-I335 PolarHBondContact O-N 2.97Å; S332-L336 WeakPolarHBondContact O-CB 3.41Å; S332-L336 WeakPolarHBondContact O-CG 3.37Å; S332-L336 PolarHBondContact O-N 3.17Å
333T98.6Very high96.8Very high0 Ų045.4 Ų45.40%022%0.217CC..Hα-helixtrans-62.1-43.9176.8-54.10000111.2I321 A324 K329 V330 E331 L336 L337 I366 L369I321-T333 HydrophobicContact CG1-CG2 4.37Å; A324-T333 WeakPolarHBondContact CB-OG1 3.46Å; K329-T333 PolarHBondContact O-N 3.4Å; K329-T333 PolarHBondContact O-OG1 2.87Å; V330-T333 WeakPolarHBondContact O-CB 3.35Å; V330-T333 PolarHBondContact O-N 3.43Å; V330-T333 VanDerWaalsContact O-N 3.13Å; E331-T333 VanDerWaalsContact C-N 3.33Å; E331-T333 PolarHBondContact O-N 3.01Å; T333-L336 PolarHBondContact O-N 3.04Å; T333-L337 HydrophobicContact CG2-CD1 4.03Å; T333-L337 WeakPolarHBondContact O-CG 3.27Å; T333-L337 PolarHBondContact O-N 3.34Å; T333-I366 HydrophobicContact CG2-CG2 4.04Å; T333-L369 HydrophobicContact CG2-CD2 4Å
334K98.4Very high96.9Very high73 Ų7344.2 Ų44.232%0.31721%0.212SC..Hα-helixtrans-60.8-48.8177.4-173.7-179.3175.5-172.80112.1V330 E331 S332 L336 L337 E338 L369V330-K334 PolarHBondContact O-N 2.88Å; E331-K334 PolarHBondContact O-N 2.92Å; S332-K334 VanDerWaalsContact C-N 3.34Å; S332-K334 PolarHBondContact O-N 2.97Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 2.92Å; K334-L337 PolarHBondContact O-N 3.44Å; K334-E338 WeakPolarHBondContact CE-OE1 3.5Å; K334-E338 WeakPolarHBondContact CE-OE2 3.31Å; K334-E338 HydrophobicContact CG-CG 4.27Å; K334-E338 WeakPolarHBondContact CG-OE1 3.42Å; K334-E338 WeakPolarHBondContact O-CB 3.49Å; K334-E338 WeakPolarHBondContact O-CG 3.39Å; K334-E338 PolarHBondContact O-N 2.9Å; K334-L369 HydrophobicContact CB-CD1 4.5Å; K334-L369 HydrophobicContact CB-CD2 3.9Å; K334-L369 HydrophobicContact CG-CD1 4.33Å
335I98.3Very high96.8Very high32 Ų3244.4 Ų44.416%0.16421%0.213CC..Hα-helixtrans-62.2-41.5178.4-65.1167000110.9T297 L300 L304 E331 S332 L337 K339 G340T297-I335 HydrophobicContact CG2-CD1 3.75Å; L300-I335 HydrophobicContact CD2-CB 3.73Å; L300-I335 HydrophobicContact CD2-CG2 3.27Å; L304-I335 HydrophobicContact CD1-CG2 3.84Å; E331-I335 VanDerWaalsContact O-CG1 3.31Å; E331-I335 WeakPolarHBondContact O-CG1 3.39Å; E331-I335 PolarHBondContact O-N 2.91Å; S332-I335 PolarHBondContact O-N 2.97Å; I335-L337 VanDerWaalsContact C-N 3.34Å; I335-L337 PolarHBondContact O-N 3.26Å; I335-K339 HydrophobicContact CG2-CB 4.06Å; I335-K339 HydrophobicContact CG2-CD 4.3Å; I335-K339 WeakPolarHBondContact O-CA 3.48Å; I335-K339 WeakPolarHBondContact O-CB 3.34Å; I335-K339 PolarHBondContact O-N 2.85Å; I335-G340 PolarHBondContact O-N 3.17Å
336L98.3Very high96.6Very high1 Ų145.9 Ų45.91%0.00522%0.221CC..Hα-helixtrans-62.1-40.4177-72169.6000112A292 L300 L304 V310 P320 I321 A324 S332 T333 K334 G340 K341 C342A292-L336 HydrophobicContact CB-CD1 4.17Å; L300-L336 HydrophobicContact CD1-CD1 4.3Å; L300-L336 HydrophobicContact CD1-CD2 4.26Å; L300-L336 HydrophobicContact CD1-CG 4.12Å; L300-L336 HydrophobicContact CD2-CD2 4.17Å; L300-L336 HydrophobicContact CD2-CG 4.17Å; L300-L336 HydrophobicContact CG-CD2 4.44Å; L304-L336 HydrophobicContact CD2-CD2 4.46Å; V310-L336 HydrophobicContact CG1-CD2 4.08Å; P320-L336 HydrophobicContact CB-CD1 4.14Å; P320-L336 HydrophobicContact CB-CD2 4.23Å; I321-L336 HydrophobicContact CB-CD1 4.02Å; A324-L336 HydrophobicContact CB-CD1 4.17Å; S332-L336 WeakPolarHBondContact O-CB 3.41Å; S332-L336 WeakPolarHBondContact O-CG 3.37Å; S332-L336 PolarHBondContact O-N 3.17Å; T333-L336 PolarHBondContact O-N 3.04Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 2.92Å; L336-G340 CarbonylContact O-C 3.52Å; L336-G340 VanDerWaalsContact O-C 3.31Å; L336-G340 VanDerWaalsContact O-CA 3.27Å; L336-G340 WeakPolarHBondContact O-CA 3.18Å; L336-G340 PolarHBondContact O-N 2.99Å; L336-K341 PolarHBondContact O-N 3.01Å; L336-C342 HydrophobicContact CB-CB 4.4Å; L336-C342 WeakPolarHBondContact O-CB 3.33Å; L336-C342 PolarHBondContact O-N 2.88Å
337L97.7Very high96.4Very high8 Ų844.7 Ų44.74%0.04222%0.221CC..Hα-helixtrans-72-48.6177.7-70.4170.8000112.4I321 T333 K334 I335 K341 P344 L369 L370I321-L337 HydrophobicContact CD1-CD2 3.74Å; I321-L337 HydrophobicContact CD1-CG 4.1Å; T333-L337 HydrophobicContact CG2-CD1 4.03Å; T333-L337 WeakPolarHBondContact O-CG 3.27Å; T333-L337 PolarHBondContact O-N 3.34Å; K334-L337 PolarHBondContact O-N 3.44Å; I335-L337 VanDerWaalsContact C-N 3.34Å; I335-L337 PolarHBondContact O-N 3.26Å; L337-K341 WeakPolarHBondContact O-CA 3.05Å; L337-K341 PolarHBondContact O-N 3.44Å; L337-P344 HydrophobicContact CD2-CB 3.95Å; L337-L369 HydrophobicContact CD1-CD2 4.16Å; L337-L369 HydrophobicContact CD1-CG 4.21Å; L337-L370 HydrophobicContact CD1-CD2 3.9Å; L337-L370 HydrophobicContact CD2-CD2 4.43Å
338E96.1Very high95.9Very high124 Ų12441 Ų4158%0.57920%0.204SC*.Hα-helixtrans-81.7-56.2-172-66.2177.9177.800112.2K334K334-E338 WeakPolarHBondContact CE-OE1 3.5Å; K334-E338 WeakPolarHBondContact CE-OE2 3.31Å; K334-E338 HydrophobicContact CG-CG 4.27Å; K334-E338 WeakPolarHBondContact CG-OE1 3.42Å; K334-E338 WeakPolarHBondContact O-CB 3.49Å; K334-E338 WeakPolarHBondContact O-CG 3.39Å; K334-E338 PolarHBondContact O-N 2.9Å
339K95.1Very high95Very high80 Ų8041.8 Ų41.835%0.34821%0.212SC..THydrogen-bonded Turntrans-80.9-48.3-177.5-173.1-177.7-173-172.10111.4S301 L304 D305 I335 K341S301-K339 PolarHBondContact O-NZ 3.21Å; S301-K339 PolarHBondContact OG-NZ 3Å; L304-K339 HydrophobicContact CD1-CB 4.35Å; L304-K339 HydrophobicContact CD1-CD 4.29Å; L304-K339 HydrophobicContact CD1-CG 4.36Å; D305-K339 WeakPolarHBondContact OD1-CE 3.19Å; D305-K339 IonicContact OD1-NZ 2.69Å; D305-K339 PolarHBondContact OD1-NZ 3.41Å; D305-K339 IonicContact OD2-NZ 2.86Å; D305-K339 PolarHBondContact OD2-NZ 3.36Å; I335-K339 HydrophobicContact CG2-CB 4.06Å; I335-K339 HydrophobicContact CG2-CD 4.3Å; I335-K339 WeakPolarHBondContact O-CA 3.48Å; I335-K339 WeakPolarHBondContact O-CB 3.34Å; I335-K339 PolarHBondContact O-N 2.85Å; K339-K341 PolarHBondContact O-N 3.45Å
340G93.1Very high94.3Very high17 Ų1742 Ų4218%0.17521%0.214CC..SBendtrans-70.8-9.617800000113.3V310 I335 L336 C342V310-G340 WeakPolarHBondContact CG2-O 3.5Å; I335-G340 PolarHBondContact O-N 3.17Å; L336-G340 CarbonylContact O-C 3.52Å; L336-G340 VanDerWaalsContact O-C 3.31Å; L336-G340 VanDerWaalsContact O-CA 3.27Å; L336-G340 WeakPolarHBondContact O-CA 3.18Å; L336-G340 PolarHBondContact O-N 2.99Å; G340-C342 PolarHBondContact O-N 3.36Å; G340-C342 VanDerWaalsContact O-N 3.11Å
341K93.8Very high93.8Very high161 Ų16143.9 Ų43.970%0.722%0.223SC*.  trans48.235.8-173-61.2-177.7179.8178.50110.8L336 L337 K339 R481L336-K341 PolarHBondContact O-N 3.01Å; L337-K341 WeakPolarHBondContact O-CA 3.05Å; L337-K341 PolarHBondContact O-N 3.44Å; K339-K341 PolarHBondContact O-N 3.45Å; K341-R481 PolarHBondContact O-NH1 3.11Å; K341-R481 PolarHBondContact O-NH2 3.46Å
342C95.4Very high93.5Very high1 Ų140 Ų401%0.00721%0.207CC..  trans-65.6155.8-172.9-170.30000112V310 I321 L336 G340 P344 R481V310-C342 HydrophobicContact CB-CB 4.2Å; V310-C342 HydrophobicContact CG2-CB 4.14Å; I321-C342 HydrophobicContact CD1-CB 4.32Å; L336-C342 HydrophobicContact CB-CB 4.4Å; L336-C342 WeakPolarHBondContact O-CB 3.33Å; L336-C342 PolarHBondContact O-N 2.88Å; G340-C342 PolarHBondContact O-N 3.36Å; G340-C342 VanDerWaalsContact O-N 3.11Å; C342-P344 WeakPolarHBondContact O-CD 3.39Å; C342-R481 VanDerWaalsContact C-CZ 3.48Å; C342-R481 PolarHBondContact O-NH1 3.33Å
343N95.3Very high93.4Very high16 Ų1640 Ų409%0.08621%0.207CC..  trans-81.3117.7-179.9178.9-1.8000107N345 L346 N436 R481N343-N345 PolarHBondContact O-N 3.45Å; N343-N345 PolarHBondContact OD1-N 2.91Å; N343-L346 HydrophobicContact CB-CB 4.18Å; N343-L346 WeakPolarHBondContact O-CB 3.47Å; N343-L346 PolarHBondContact O-N 2.57Å; N343-N436 PolarHBondContact OD1-ND2 3.44Å; N343-N436 PolarHBondContact OD1-OD1 3.12Å; N343-R481 VanDerWaalsContact CA-CZ 3.48Å; N343-R481 VanDerWaalsContact N-CZ 3.29Å; N343-R481 VanDerWaalsContact N-NH1 3.18Å
344P97.3Very high93.4Very high0 Ų040 Ų400%021%0.207CC..THydrogen-bonded Turntrans-62.3-18.2179.431.3-41.3000112.6L337 C342 P354 L370 H373 E375 I376L337-P344 HydrophobicContact CD2-CB 3.95Å; C342-P344 WeakPolarHBondContact O-CD 3.39Å; P344-P354 WeakPolarHBondContact O-CG 3.44Å; P344-L370 HydrophobicContact CB-CD2 4.12Å; P344-H373 HydrophobicContact CB-CB 4.42Å; P344-H373 WeakPolarHBondContact CG-ND1 3.44Å; P344-E375 HydrophobicContact CG-CB 3.94Å; P344-I376 HydrophobicContact CB-CD1 3.9Å
345N97.2Very high93.4Very high3 Ų336.5 Ų36.52%0.01619%0.192CC..THydrogen-bonded Turntrans-106.917.1178.7-50.1-44.9000113.1N343 L347 E375 I376 D377 I380 N436N343-N345 PolarHBondContact O-N 3.45Å; N343-N345 PolarHBondContact OD1-N 2.91Å; N345-L347 PolarHBondContact O-N 3.32Å; N345-E375 PolarHBondContact ND2-O 3.4Å; N345-I376 WeakPolarHBondContact OD1-CD1 3.29Å; N345-D377 PolarHBondContact ND2-N 3.04Å; N345-D377 WeakPolarHBondContact OD1-CB 3.41Å; N345-D377 PolarHBondContact OD1-N 3.02Å; N345-I380 HydrophobicContact CB-CD1 4.04Å; N345-N436 PolarHBondContact ND2-OD1 3.49Å
346L94.1Very high93.4Very high32 Ų3235.3 Ų35.317%0.16819%0.185CC..  trans-55.1133.3177.4-175.960.1000109.3A319 I321 H322 N343 P354A319-L346 HydrophobicContact CB-CD2 3.47Å; A319-L346 VanDerWaalsContact CB-CD2 3.47Å; I321-L346 HydrophobicContact CG2-CD2 4.21Å; H322-L346 PolarHBondContact NE2-O 3.07Å; N343-L346 HydrophobicContact CB-CB 4.18Å; N343-L346 WeakPolarHBondContact O-CB 3.47Å; N343-L346 PolarHBondContact O-N 2.57Å; L346-P354 WeakPolarHBondContact O-CD 3.4Å
347L92.3Very high93.4Very high60 Ų6035.7 Ų35.731%0.31419%0.187SC..  trans-96.9140177.3-65.1-177.3000109.8N345 L351 I380N345-L347 PolarHBondContact O-N 3.32Å; L347-L351 HydrophobicContact CD1-CB 4.46Å; L347-L351 HydrophobicContact CD1-CD2 4.11Å; L347-I380 HydrophobicContact CD2-CD1 4.02Å
348N84.5Confident93.4Very high6 Ų635.3 Ų35.33%0.03219%0.185CC..  trans-78.9-179.4166.278.9-10.1000111.1H317 W318 H322 Q350 L351 S352 F357H317-N348 WeakPolarHBondContact O-CA 3.39Å; H317-N348 WeakPolarHBondContact O-CB 3.39Å; W318-N348 PolarHBondContact NE1-ND2 2.86Å; W318-N348 VanDerWaalsContact NE1-ND2 3.15Å; H322-N348 PolarHBondContact NE2-N 3.15Å; N348-Q350 PolarHBondContact ND2-OE1 2.78Å; N348-Q350 PolarHBondContact O-N 2.96Å; N348-Q350 VanDerWaalsContact O-N 3.17Å; N348-Q350 VanDerWaalsContact OD1-C 3.26Å; N348-Q350 WeakPolarHBondContact OD1-CA 3.47Å; N348-Q350 PolarHBondContact OD1-N 3.36Å; N348-L351 PolarHBondContact O-N 2.93Å; N348-L351 PolarHBondContact OD1-N 3.13Å; N348-L351 VanDerWaalsContact OD1-N 3.07Å; N348-S352 PolarHBondContact N-O 3Å; N348-S352 PolarHBondContact OD1-N 3.33Å; N348-S352 PolarHBondContact OD1-O 2.87Å; N348-F357 WeakPolarHBondContact ND2-CE2 3.24Å; N348-F357 VanDerWaalsContact ND2-CZ 3.29Å; N348-F357 WeakPolarHBondContact ND2-CZ 3.38Å
349G76.6Confident93.5Very high41 Ų4129.4 Ų29.442%0.42316%0.157SC..THydrogen-bonded Turntrans-62.6-18.817900000115.4H317H317-G349 PolarHBondContact O-N 2.95Å
350Q83Confident93.6Very high76 Ų7630 Ų3036%0.35516%0.157SC..THydrogen-bonded Turntrans-101.619.2175.3-5681.426.700112.4D316 N348 S352 Q383D316-Q350 PolarHBondContact O-NE2 3.41Å; N348-Q350 PolarHBondContact ND2-OE1 2.78Å; N348-Q350 PolarHBondContact O-N 2.96Å; N348-Q350 VanDerWaalsContact O-N 3.17Å; N348-Q350 VanDerWaalsContact OD1-C 3.26Å; N348-Q350 WeakPolarHBondContact OD1-CA 3.47Å; N348-Q350 PolarHBondContact OD1-N 3.36Å; Q350-S352 PolarHBondContact O-N 3.19Å; Q350-S352 VanDerWaalsContact O-N 3.12Å; Q350-Q383 VanDerWaalsContact O-CB 3.26Å; Q350-Q383 WeakPolarHBondContact O-CB 3.36Å
351L88.1Confident93.6Very high87 Ų8729.2 Ų29.246%0.45515%0.149SC..SBendtrans5724.4178.9-48.7176.6000114.6L347 N348 D382 Q383L347-L351 HydrophobicContact CD1-CB 4.46Å; L347-L351 HydrophobicContact CD1-CD2 4.11Å; N348-L351 PolarHBondContact O-N 2.93Å; N348-L351 PolarHBondContact OD1-N 3.13Å; N348-L351 VanDerWaalsContact OD1-N 3.07Å; L351-D382 WeakPolarHBondContact O-CA 3.45Å; L351-Q383 HydrophobicContact CB-CB 4.13Å; L351-Q383 HydrophobicContact CD1-CB 4.33Å; L351-Q383 HydrophobicContact CD1-CG 4.44Å
352S91.4Very high93.8Very high22 Ų2221.5 Ų21.515%0.15412%0.116CC..  trans-90.8145.4169.9-61.20000110.7N348 Q350N348-S352 PolarHBondContact N-O 3Å; N348-S352 PolarHBondContact OD1-N 3.33Å; N348-S352 PolarHBondContact OD1-O 2.87Å; Q350-S352 PolarHBondContact O-N 3.19Å; Q350-S352 VanDerWaalsContact O-N 3.12Å
353S97.6Very high93.9Very high0 Ų023.1 Ų23.10%012%0.123CC..  trans-103.3163.9-178.774.40000112.7L355 H356 F357 I380S353-L355 PolarHBondContact O-N 2.66Å; S353-L355 VanDerWaalsContact O-N 3.14Å; S353-L355 PolarHBondContact OG-N 3.42Å; S353-H356 PolarHBondContact N-ND1 3.08Å; S353-H356 WeakPolarHBondContact O-CA 3.45Å; S353-H356 WeakPolarHBondContact O-CB 3.48Å; S353-H356 PolarHBondContact O-N 3.25Å; S353-H356 PolarHBondContact OG-N 2.95Å; S353-H356 PolarHBondContact OG-ND1 3.12Å; S353-F357 VanDerWaalsContact O-CD2 3.32Å; S353-F357 WeakPolarHBondContact O-CD2 3.38Å; S353-F357 PolarHBondContact O-N 3.01Å; S353-F357 VanDerWaalsContact O-N 3.17Å; S353-I380 VanDerWaalsContact CB-CD1 3.49Å; S353-I380 WeakPolarHBondContact OG-CG2 3.44Å
354P98.5Very high94Very high0 Ų022.5 Ų22.50%012%0.121CC..Hα-helixtrans-48.1-38.8170.9-32.734.8000113.6I321 P344 L346 F357 A358 L370I321-P354 HydrophobicContact CD1-CB 4.26Å; I321-P354 HydrophobicContact CD1-CG 3.99Å; I321-P354 HydrophobicContact CG1-CB 4.19Å; I321-P354 HydrophobicContact CG1-CG 4.02Å; I321-P354 HydrophobicContact CG2-CG 3.87Å; P344-P354 WeakPolarHBondContact O-CG 3.44Å; L346-P354 WeakPolarHBondContact O-CD 3.4Å; P354-F357 PolarHBondContact O-N 3.41Å; P354-A358 WeakPolarHBondContact O-CB 3.44Å; P354-A358 PolarHBondContact O-N 3.38Å; P354-L370 HydrophobicContact CB-CD1 4.05Å; P354-L370 HydrophobicContact CB-CD2 4.19Å
355L98.4Very high94.1Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-66.7-35.6178.5-170.359.8000112.1S353 A359 V367 L370 L371 I376 I380 P388 L407S353-L355 PolarHBondContact O-N 2.66Å; S353-L355 VanDerWaalsContact O-N 3.14Å; S353-L355 PolarHBondContact OG-N 3.42Å; L355-A359 WeakPolarHBondContact O-CB 3.29Å; L355-A359 PolarHBondContact O-N 3.28Å; L355-V367 HydrophobicContact CD1-CG1 4.15Å; L355-V367 HydrophobicContact CD1-CG2 4.32Å; L355-L370 HydrophobicContact CB-CD1 4.22Å; L355-L370 HydrophobicContact CD1-CB 4.15Å; L355-L370 HydrophobicContact CD1-CD1 4.08Å; L355-L371 HydrophobicContact CD1-CG 4.46Å; L355-L371 HydrophobicContact CD2-CD2 4.29Å; L355-I376 HydrophobicContact CD2-CD1 4.37Å; L355-I376 HydrophobicContact CD2-CG1 4.47Å; L355-I380 HydrophobicContact CD2-CG2 4.42Å; L355-P388 HydrophobicContact CB-CG 4.2Å; L355-P388 HydrophobicContact CD2-CB 4.3Å; L355-P388 HydrophobicContact CD2-CG 3.81Å; L355-P388 HydrophobicContact CG-CB 3.87Å; L355-P388 HydrophobicContact CG-CG 3.72Å; L355-L407 HydrophobicContact CD1-CD2 4.17Å; L355-L407 HydrophobicContact CD2-CD2 4.41Å; L355-L407 HydrophobicContact CG-CD2 4.44Å
356H98.2Very high94.1Very high6 Ų627 Ų273%0.02815%0.145CC..Hα-helixtrans-65.1-43.8172.5-70.193.7000111.8S353 A359 R360 D382 R386S353-H356 PolarHBondContact N-ND1 3.08Å; S353-H356 WeakPolarHBondContact O-CA 3.45Å; S353-H356 WeakPolarHBondContact O-CB 3.48Å; S353-H356 PolarHBondContact O-N 3.25Å; S353-H356 PolarHBondContact OG-N 2.95Å; S353-H356 PolarHBondContact OG-ND1 3.12Å; H356-A359 PolarHBondContact O-N 3.08Å; H356-R360 WeakPolarHBondContact O-CB 3.39Å; H356-R360 PolarHBondContact O-N 3.47Å; H356-D382 PolarHBondContact CE1-N 3.07Å; H356-D382 PolarHBondContact NE2-N 3.44Å; H356-R386 PolarHBondContact NE2-O 3.14Å
357F97.9Very high94.3Very high9 Ų925.5 Ų25.54%0.03914%0.137CC..Hα-helixtrans-65.1-45.9178.9-77-76000112.2W318 H322 C325 W326 N348 S353 P354 A359 R360 G361W318-F357 HydrophobicContact CD2-CZ 4.25Å; W318-F357 AromaticContact CE2-CE1 3.99Å; W318-F357 AromaticContact CE2-CZ 3.68Å; W318-F357 HydrophobicContact CE3-CE1 4.49Å; W318-F357 HydrophobicContact CH2-CD1 4.11Å; W318-F357 AromaticContact CH2-CE1 3.29Å; W318-F357 HydrophobicContact CH2-CE1 3.29Å; W318-F357 AromaticContact CH2-CZ 3.88Å; W318-F357 HydrophobicContact CH2-CZ 3.88Å; W318-F357 AromaticContact CZ2-CE1 3.34Å; W318-F357 HydrophobicContact CZ2-CE1 3.34Å; W318-F357 AromaticContact CZ2-CZ 3.49Å; W318-F357 HydrophobicContact CZ2-CZ 3.49Å; W318-F357 VanDerWaalsContact CZ2-CZ 3.49Å; W318-F357 HydrophobicContact CZ3-CD1 4.42Å; W318-F357 AromaticContact CZ3-CE1 3.9Å; W318-F357 HydrophobicContact CZ3-CE1 3.9Å; W318-F357 HydrophobicContact CZ3-CZ 4.39Å; H322-F357 HydrophobicContact CB-CD2 4.04Å; H322-F357 HydrophobicContact CB-CE2 4.03Å; H322-F357 AromaticContact CD2-CD2 3.64Å; H322-F357 AromaticContact CD2-CE2 3.58Å; C325-F357 HydrophobicContact CB-CB 3.76Å; W326-F357 HydrophobicContact CB-CD1 4.09Å; W326-F357 HydrophobicContact CD2-CD1 4.23Å; W326-F357 AromaticContact CE3-CD1 3.6Å; W326-F357 HydrophobicContact CE3-CD1 3.6Å; W326-F357 HydrophobicContact CE3-CE1 4.14Å; W326-F357 HydrophobicContact CG-CD1 4.49Å; W326-F357 HydrophobicContact CZ3-CD1 4.31Å; N348-F357 WeakPolarHBondContact ND2-CE2 3.24Å; N348-F357 VanDerWaalsContact ND2-CZ 3.29Å; N348-F357 WeakPolarHBondContact ND2-CZ 3.38Å; S353-F357 VanDerWaalsContact O-CD2 3.32Å; S353-F357 WeakPolarHBondContact O-CD2 3.38Å; S353-F357 PolarHBondContact O-N 3.01Å; S353-F357 VanDerWaalsContact O-N 3.17Å; P354-F357 PolarHBondContact O-N 3.41Å; F357-A359 VanDerWaalsContact C-N 3.35Å; F357-A359 PolarHBondContact O-N 3.48Å; F357-R360 PolarHBondContact O-N 3.32Å; F357-G361 PolarHBondContact O-N 3.15Å; F357-G361 VanDerWaalsContact O-N 3.1Å
358A98.3Very high94.6Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-62-43.1176.800000111.6C325 P354 G362 H363 I366 V367 L370C325-A358 HydrophobicContact CB-CB 4.26Å; P354-A358 WeakPolarHBondContact O-CB 3.44Å; P354-A358 PolarHBondContact O-N 3.38Å; A358-G362 PolarHBondContact O-N 2.89Å; A358-H363 PolarHBondContact O-N 3.24Å; A358-I366 HydrophobicContact CB-CB 4.01Å; A358-I366 HydrophobicContact CB-CG2 3.55Å; A358-V367 HydrophobicContact CB-CG2 3.66Å; A358-L370 HydrophobicContact CB-CD1 4.12Å
359A97.9Very high95.3Very high0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-70-39.3178.400000112.8L355 H356 F357 G361 G362 V367 P388 C392 T403 L407L355-A359 WeakPolarHBondContact O-CB 3.29Å; L355-A359 PolarHBondContact O-N 3.28Å; H356-A359 PolarHBondContact O-N 3.08Å; F357-A359 VanDerWaalsContact C-N 3.35Å; F357-A359 PolarHBondContact O-N 3.48Å; A359-G361 VanDerWaalsContact C-N 3.31Å; A359-G361 PolarHBondContact O-N 2.74Å; A359-G362 PolarHBondContact O-N 2.92Å; A359-V367 HydrophobicContact CB-CG2 4.44Å; A359-P388 HydrophobicContact CB-CB 3.87Å; A359-P388 VanDerWaalsContact CB-O 3.29Å; A359-P388 WeakPolarHBondContact CB-O 3.38Å; A359-C392 HydrophobicContact CB-CB 4.16Å; A359-C392 WeakPolarHBondContact O-CA 3.47Å; A359-C392 WeakPolarHBondContact O-CB 3.39Å; A359-C392 PolarHBondContact O-SG 2.84Å; A359-C392 VanDerWaalsContact O-SG 3.39Å; A359-T403 HydrophobicContact CB-CG2 4.29Å; A359-L407 HydrophobicContact CB-CD1 4.11Å
360R96.8Very high96.3Very high92 Ų9226.8 Ų26.835%0.34713%0.129SC..Hα-helixtrans-59.5-42.9176.2-177.3154.6179.4-159.60.5112.5W326 H356 F357 G362 V391 N395W326-R360 HydrophobicContact CZ3-CG 3.97Å; H356-R360 WeakPolarHBondContact O-CB 3.39Å; H356-R360 PolarHBondContact O-N 3.47Å; F357-R360 PolarHBondContact O-N 3.32Å; R360-G362 VanDerWaalsContact C-N 3.26Å; R360-V391 HydrophobicContact CB-CG1 3.54Å; R360-V391 HydrophobicContact CG-CG1 3.89Å; R360-N395 HydrophobicContact CG-CB 4.25Å; R360-N395 PolarHBondContact NE-OD1 3.19Å
361G93.3Very high97Very high1 Ų123.9 Ų23.91%0.0112%0.116CC..THydrogen-bonded Turntrans-80.2-1.1175.600000113.8F357 A359 H363 N398F357-G361 PolarHBondContact O-N 3.15Å; F357-G361 VanDerWaalsContact O-N 3.1Å; A359-G361 VanDerWaalsContact C-N 3.31Å; A359-G361 PolarHBondContact O-N 2.74Å; G361-H363 PolarHBondContact O-N 3Å; G361-N398 WeakPolarHBondContact O-CB 3.45Å; G361-N398 PolarHBondContact O-ND2 2.85Å
362G96.9Very high97.3Very high0 Ų025.6 Ų25.60%012%0.122CC..THydrogen-bonded Turntrans57.335-176.600000114A358 A359 R360 A364 Q397 E399 T403A358-G362 PolarHBondContact O-N 2.89Å; A359-G362 PolarHBondContact O-N 2.92Å; R360-G362 VanDerWaalsContact C-N 3.26Å; G362-A364 PolarHBondContact O-N 3.41Å; G362-Q397 WeakPolarHBondContact CA-O 3.33Å; G362-E399 CarbonylContact O-C 3.59Å; G362-E399 WeakPolarHBondContact O-CA 3.29Å; G362-E399 WeakPolarHBondContact O-CB 3.49Å; G362-E399 PolarHBondContact O-N 3.41Å; G362-T403 PolarHBondContact O-OG1 3.05Å
363H98.1Very high97.5Very high34 Ų3426.5 Ų26.516%0.15712%0.123CC..  trans-87.182.8-178.1-59.7-56.7000110.1C325 W326 G328 A358 G361 D365 I366 V367 N398C325-H363 PolarHBondContact O-CD2 3.46Å; W326-H363 PolarHBondContact O-NE2 3.1Å; G328-H363 PolarHBondContact N-NE2 3.39Å; A358-H363 PolarHBondContact O-N 3.24Å; G361-H363 PolarHBondContact O-N 3Å; H363-D365 VanDerWaalsContact C-N 3.33Å; H363-D365 PolarHBondContact O-N 2.93Å; H363-I366 HydrophobicContact CB-CB 4.22Å; H363-I366 HydrophobicContact CB-CD1 4.25Å; H363-I366 HydrophobicContact CB-CG1 4.25Å; H363-I366 PolarHBondContact O-N 3.25Å; H363-I366 VanDerWaalsContact O-N 3.15Å; H363-V367 PolarHBondContact O-N 3.14Å; H363-N398 PolarHBondContact CE1-ND2 3.44Å
364A98.1Very high97.3Very high4 Ų430 Ų303%0.03315%0.146CC..Hα-helixtrans-58.1-40.6-169.200000113.3G362 I366 V367 K368 E399 E402 T403 L406G362-A364 PolarHBondContact O-N 3.41Å; A364-I366 PolarHBondContact O-N 3.45Å; A364-V367 PolarHBondContact O-N 3.22Å; A364-K368 WeakPolarHBondContact O-CB 3.45Å; A364-K368 PolarHBondContact O-N 3.3Å; A364-E399 HydrophobicContact CB-CB 4.16Å; A364-E402 HydrophobicContact CB-CB 4.23Å; A364-E402 HydrophobicContact CB-CG 4.17Å; A364-T403 WeakPolarHBondContact CA-OG1 3.1Å; A364-L406 HydrophobicContact CB-CD1 4.04Å; A364-L406 WeakPolarHBondContact O-CD1 3.33Å
365D98.4Very high97.2Very high98 Ų9832.2 Ų32.252%0.52416%0.157SC..Hα-helixtrans-64-38.7178.7-77.1-29.2000113.1V330 H363 K368 L369V330-D365 HydrophobicContact CG1-CB 4.47Å; V330-D365 HydrophobicContact CG2-CB 3.84Å; H363-D365 VanDerWaalsContact C-N 3.33Å; H363-D365 PolarHBondContact O-N 2.93Å; D365-K368 PolarHBondContact O-N 3.31Å; D365-L369 WeakPolarHBondContact O-CB 3.44Å; D365-L369 PolarHBondContact O-N 2.93Å
366I98.6Very high97.2Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-69.4-41.5175.6-61-172.1000110.4V330 T333 A358 H363 A364 K368 L369 L370V330-I366 HydrophobicContact CB-CG1 4.38Å; V330-I366 HydrophobicContact CG2-CD1 4.41Å; V330-I366 HydrophobicContact CG2-CG1 3.76Å; T333-I366 HydrophobicContact CG2-CG2 4.04Å; A358-I366 HydrophobicContact CB-CB 4.01Å; A358-I366 HydrophobicContact CB-CG2 3.55Å; H363-I366 HydrophobicContact CB-CB 4.22Å; H363-I366 HydrophobicContact CB-CD1 4.25Å; H363-I366 HydrophobicContact CB-CG1 4.25Å; H363-I366 PolarHBondContact O-N 3.25Å; H363-I366 VanDerWaalsContact O-N 3.15Å; A364-I366 PolarHBondContact O-N 3.45Å; I366-K368 VanDerWaalsContact C-N 3.32Å; I366-K368 PolarHBondContact O-N 2.72Å; I366-L369 WeakPolarHBondContact O-CB 3.41Å; I366-L369 PolarHBondContact O-N 3.36Å; I366-L370 HydrophobicContact CG2-CD1 3.98Å; I366-L370 HydrophobicContact CG2-CG 4.34Å; I366-L370 WeakPolarHBondContact O-CG 3.36Å; I366-L370 PolarHBondContact O-N 3.35Å
367V98.4Very high97.1Very high0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-61.1-44.5176.3169.80000110.5L355 A358 A359 H363 A364 L369 L370 L371 T403 L406 L407L355-V367 HydrophobicContact CD1-CG1 4.15Å; L355-V367 HydrophobicContact CD1-CG2 4.32Å; A358-V367 HydrophobicContact CB-CG2 3.66Å; A359-V367 HydrophobicContact CB-CG2 4.44Å; H363-V367 PolarHBondContact O-N 3.14Å; A364-V367 PolarHBondContact O-N 3.22Å; V367-L369 PolarHBondContact O-N 3.25Å; V367-L370 PolarHBondContact O-N 2.67Å; V367-L371 HydrophobicContact CG1-CD1 3.56Å; V367-L371 HydrophobicContact CG1-CG 4.25Å; V367-L371 WeakPolarHBondContact O-CB 3.28Å; V367-L371 WeakPolarHBondContact O-CD1 3.41Å; V367-L371 WeakPolarHBondContact O-CG 3.32Å; V367-L371 PolarHBondContact O-N 2.81Å; V367-T403 HydrophobicContact CB-CG2 4.31Å; V367-T403 HydrophobicContact CG1-CG2 4.26Å; V367-T403 HydrophobicContact CG2-CG2 3.8Å; V367-L406 HydrophobicContact CG1-CB 4.3Å; V367-L407 HydrophobicContact CG1-CD2 3.92Å; V367-L407 HydrophobicContact CG1-CG 4Å
368K97.9Very high96.9Very high101 Ų10133.9 Ų33.944%0.43916%0.163SC..Hα-helixtrans-58.7-46.5174.2-174.7178.3176.9-177.70111.8A364 D365 I366 L371 Q372 L406A364-K368 WeakPolarHBondContact O-CB 3.45Å; A364-K368 PolarHBondContact O-N 3.3Å; D365-K368 PolarHBondContact O-N 3.31Å; I366-K368 VanDerWaalsContact C-N 3.32Å; I366-K368 PolarHBondContact O-N 2.72Å; K368-L371 PolarHBondContact O-N 2.99Å; K368-Q372 VanDerWaalsContact O-CG 3.29Å; K368-Q372 WeakPolarHBondContact O-CG 3.34Å; K368-Q372 PolarHBondContact O-N 2.92Å; K368-Q372 VanDerWaalsContact O-N 3.1Å; K368-L406 HydrophobicContact CB-CD1 4.06Å
369L98.1Very high96.7Very high33 Ų3337 Ų3717%0.17318%0.178CC..Hα-helixtrans-58.7-49.3177.2179.470.9000111.8T333 K334 L337 D365 I366 V367 Q372 H373T333-L369 HydrophobicContact CG2-CD2 4Å; K334-L369 HydrophobicContact CB-CD1 4.5Å; K334-L369 HydrophobicContact CB-CD2 3.9Å; K334-L369 HydrophobicContact CG-CD1 4.33Å; L337-L369 HydrophobicContact CD1-CD2 4.16Å; L337-L369 HydrophobicContact CD1-CG 4.21Å; D365-L369 WeakPolarHBondContact O-CB 3.44Å; D365-L369 PolarHBondContact O-N 2.93Å; I366-L369 WeakPolarHBondContact O-CB 3.41Å; I366-L369 PolarHBondContact O-N 3.36Å; V367-L369 PolarHBondContact O-N 3.25Å; L369-Q372 PolarHBondContact O-N 2.99Å; L369-H373 PolarHBondContact O-N 3.17Å
370L98.2Very high96.5Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-63.2-43178.9-73.5170.4000112L337 P344 P354 L355 A358 I366 V367 Q372 H373 I376L337-L370 HydrophobicContact CD1-CD2 3.9Å; L337-L370 HydrophobicContact CD2-CD2 4.43Å; P344-L370 HydrophobicContact CB-CD2 4.12Å; P354-L370 HydrophobicContact CB-CD1 4.05Å; P354-L370 HydrophobicContact CB-CD2 4.19Å; L355-L370 HydrophobicContact CB-CD1 4.22Å; L355-L370 HydrophobicContact CD1-CB 4.15Å; L355-L370 HydrophobicContact CD1-CD1 4.08Å; A358-L370 HydrophobicContact CB-CD1 4.12Å; I366-L370 HydrophobicContact CG2-CD1 3.98Å; I366-L370 HydrophobicContact CG2-CG 4.34Å; I366-L370 WeakPolarHBondContact O-CG 3.36Å; I366-L370 PolarHBondContact O-N 3.35Å; V367-L370 PolarHBondContact O-N 2.67Å; L370-Q372 PolarHBondContact O-N 3.2Å; L370-H373 VanDerWaalsContact O-CB 3.29Å; L370-H373 WeakPolarHBondContact O-CB 3.28Å; L370-H373 PolarHBondContact O-N 3.25Å; L370-I376 HydrophobicContact CB-CD1 4.11Å; L370-I376 WeakPolarHBondContact O-CB 3.4Å; L370-I376 WeakPolarHBondContact O-CG1 3.27Å
371L97Very high96.3Very high14 Ų1437.6 Ų37.67%0.07319%0.185CC..Hα-helixtrans-69.7-17.6179.7-69.4170000113.8L355 V367 K368 R378 L406 L407 A410L355-L371 HydrophobicContact CD1-CG 4.46Å; L355-L371 HydrophobicContact CD2-CD2 4.29Å; V367-L371 HydrophobicContact CG1-CD1 3.56Å; V367-L371 HydrophobicContact CG1-CG 4.25Å; V367-L371 WeakPolarHBondContact O-CB 3.28Å; V367-L371 WeakPolarHBondContact O-CD1 3.41Å; V367-L371 WeakPolarHBondContact O-CG 3.32Å; V367-L371 PolarHBondContact O-N 2.81Å; K368-L371 PolarHBondContact O-N 2.99Å; L371-R378 HydrophobicContact CD2-CB 4.15Å; L371-L406 HydrophobicContact CD1-CB 4.34Å; L371-L407 HydrophobicContact CD1-CD2 4.18Å; L371-L407 HydrophobicContact CD2-CD2 4.48Å; L371-A410 HydrophobicContact CD1-CB 3.85Å; L371-A410 HydrophobicContact CD2-CB 3.77Å; L371-A410 HydrophobicContact CG-CB 4.27Å
372Q95.2Very high96.1Very high124 Ų12437.9 Ų37.958%0.57919%0.186SC*.Hα-helixtrans-84.4-14171.8-74.4174.8-12.800112.7K368 L369 L370K368-Q372 VanDerWaalsContact O-CG 3.29Å; K368-Q372 WeakPolarHBondContact O-CG 3.34Å; K368-Q372 PolarHBondContact O-N 2.92Å; K368-Q372 VanDerWaalsContact O-N 3.1Å; L369-Q372 PolarHBondContact O-N 2.99Å; L370-Q372 PolarHBondContact O-N 3.2Å
373H96.3Very high95.7Very high40 Ų4044 Ų4419%0.18522%0.215CC..SBendtrans-74.3128.9-179.6-166.2-74.7000110.9P344 L369 L370 E375 I376P344-H373 HydrophobicContact CB-CB 4.42Å; P344-H373 WeakPolarHBondContact CG-ND1 3.44Å; L369-H373 PolarHBondContact O-N 3.17Å; L370-H373 VanDerWaalsContact O-CB 3.29Å; L370-H373 WeakPolarHBondContact O-CB 3.28Å; L370-H373 PolarHBondContact O-N 3.25Å; H373-E375 PolarHBondContact ND1-N 3.37Å; H373-E375 VanDerWaalsContact ND1-N 3.19Å; H373-E375 PolarHBondContact O-N 2.65Å; H373-E375 VanDerWaalsContact O-N 3.15Å; H373-I376 WeakPolarHBondContact O-CB 3.42Å; H373-I376 WeakPolarHBondContact O-CG2 3.34Å; H373-I376 PolarHBondContact O-N 3.19Å; H373-I376 VanDerWaalsContact O-N 3.08Å
374P93.9Very high95.2Very high73 Ų7348.8 Ų48.847%0.47424%0.237SC..THydrogen-bonded Turntrans-63.6-28.4-172.724-34.8000113.4I376 E416P374-I376 VanDerWaalsContact C-N 3.33Å; P374-I376 PolarHBondContact O-N 3.49Å; P374-E416 HydrophobicContact CB-CG 4.19Å; P374-E416 WeakPolarHBondContact O-CG 3.32Å
375E95.6Very high95Very high48 Ų4855.5 Ų55.522%0.22427%0.265CS..THydrogen-bonded Turntrans-82.4-3.4179.5-64.2-175.3-169.900114.7P344 N345 H373 G435 N436 R481P344-E375 HydrophobicContact CG-CB 3.94Å; N345-E375 PolarHBondContact ND2-O 3.4Å; H373-E375 PolarHBondContact ND1-N 3.37Å; H373-E375 VanDerWaalsContact ND1-N 3.19Å; H373-E375 PolarHBondContact O-N 2.65Å; H373-E375 VanDerWaalsContact O-N 3.15Å; E375-G435 WeakPolarHBondContact O-CA 3.45Å; E375-N436 HydrophobicContact CB-CB 3.91Å; E375-N436 HydrophobicContact CG-CB 4.21Å; E375-N436 PolarHBondContact O-N 2.9Å; E375-N436 PolarHBondContact OE2-ND2 2.79Å; E375-R481 IonicContact OE2-NH1 2.87Å
376I97.4Very high94.8Very high11 Ų1153.1 Ų53.16%0.05625%0.249CC..  trans-63.3135.7-171.3-167.268.9000113P344 N345 L355 L370 H373 P374 G435P344-I376 HydrophobicContact CB-CD1 3.9Å; N345-I376 WeakPolarHBondContact OD1-CD1 3.29Å; L355-I376 HydrophobicContact CD2-CD1 4.37Å; L355-I376 HydrophobicContact CD2-CG1 4.47Å; L370-I376 HydrophobicContact CB-CD1 4.11Å; L370-I376 WeakPolarHBondContact O-CB 3.4Å; L370-I376 WeakPolarHBondContact O-CG1 3.27Å; H373-I376 WeakPolarHBondContact O-CB 3.42Å; H373-I376 WeakPolarHBondContact O-CG2 3.34Å; H373-I376 PolarHBondContact O-N 3.19Å; H373-I376 VanDerWaalsContact O-N 3.08Å; P374-I376 VanDerWaalsContact C-N 3.33Å; P374-I376 PolarHBondContact O-N 3.49Å; I376-G435 WeakPolarHBondContact O-CA 3.48Å
377D96.7Very high94.7Very high7 Ų754.7 Ų54.74%0.03726%0.26CS..  trans-95.996.4167.6-175.11.8000108.6N345 H379 I380 H434 N437N345-D377 PolarHBondContact ND2-N 3.04Å; N345-D377 WeakPolarHBondContact OD1-CB 3.41Å; N345-D377 PolarHBondContact OD1-N 3.02Å; D377-H379 PolarHBondContact O-N 3.43Å; D377-H379 PolarHBondContact OD1-N 3.06Å; D377-I380 HydrophobicContact CB-CB 4.14Å; D377-I380 HydrophobicContact CB-CD1 4.49Å; D377-I380 WeakPolarHBondContact O-CB 3.4Å; D377-I380 VanDerWaalsContact O-CG2 3.22Å; D377-I380 WeakPolarHBondContact O-CG2 3.36Å; D377-I380 PolarHBondContact O-N 3.27Å; D377-I380 PolarHBondContact OD1-N 3.46Å; D377-H434 WeakPolarHBondContact CB-O 3.44Å; D377-H434 WeakPolarHBondContact OD1-CA 3.36Å; D377-H434 IonicContact OD1-CG 2.65Å; D377-H434 IonicContact OD1-ND1 2.73Å; D377-H434 PolarHBondContact OD1-ND1 3.15Å; D377-H434 IonicContact OD2-ND1 3.68Å; D377-N437 HydrophobicContact CB-CB 4.34Å; D377-N437 WeakPolarHBondContact OD2-CB 3.28Å; D377-N437 PolarHBondContact OD2-ND2 3.06Å
378R93.9Very high94.6Very high31 Ų3154.8 Ų54.812%0.11726%0.261CS..THydrogen-bonded Turntrans-73.6-13.9179.769.5-176.970.2148.68.2113.5L371 A410 K413 P414L371-R378 HydrophobicContact CD2-CB 4.15Å; R378-A410 WeakPolarHBondContact CD-O 3.31Å; R378-A410 VanDerWaalsContact CZ-O 3.29Å; R378-A410 PolarHBondContact NH1-O 3.27Å; R378-K413 PolarHBondContact NH1-O 2.9Å; R378-P414 PolarHBondContact NH2-O 2.84Å
379H93.6Very high94.5Very high65 Ų6551.8 Ų51.830%0.30125%0.249SC..THydrogen-bonded Turntrans-104.319.2179.2-58.9-57.3000111.9D377 Y415 K433D377-H379 PolarHBondContact O-N 3.43Å; D377-H379 PolarHBondContact OD1-N 3.06Å; H379-Y415 AromaticContact NE2-CE1 3.7Å; H379-Y415 AromaticContact NE2-CZ 3.82Å; H379-Y415 PolarHBondContact NE2-OH 2.96Å; H379-K433 PolarHBondContact CD2-O 3.38Å
380I93.9Very high94.4Very high7 Ų754.4 Ų54.44%0.03626%0.261CS..  trans-64.4141.2179.8-166.7155.6000110.8N345 L347 S353 L355 D377 P388N345-I380 HydrophobicContact CB-CD1 4.04Å; L347-I380 HydrophobicContact CD2-CD1 4.02Å; S353-I380 VanDerWaalsContact CB-CD1 3.49Å; S353-I380 WeakPolarHBondContact OG-CG2 3.44Å; L355-I380 HydrophobicContact CD2-CG2 4.42Å; D377-I380 HydrophobicContact CB-CB 4.14Å; D377-I380 HydrophobicContact CB-CD1 4.49Å; D377-I380 WeakPolarHBondContact O-CB 3.4Å; D377-I380 VanDerWaalsContact O-CG2 3.22Å; D377-I380 WeakPolarHBondContact O-CG2 3.36Å; D377-I380 PolarHBondContact O-N 3.27Å; D377-I380 PolarHBondContact OD1-N 3.46Å; I380-P388 HydrophobicContact CG2-CG 3.95Å; I380-P388 VanDerWaalsContact O-CD 3.24Å; I380-P388 WeakPolarHBondContact O-CD 3.41Å
381E93Very high94.3Very high98 Ų9854.5 Ų54.546%0.45826%0.262SS..  trans-118.7143.4178.8-65.3175.1162.900110.2K385 R386E381-K385 VanDerWaalsContact OE2-CD 3.25Å; E381-K385 WeakPolarHBondContact OE2-CD 3.46Å; E381-K385 IonicContact OE2-NZ 2.76Å; E381-K385 PolarHBondContact OE2-NZ 3.47Å; E381-R386 VanDerWaalsContact CA-O 3.31Å; E381-R386 WeakPolarHBondContact CA-O 3.27Å
382D87.8Confident94.3Very high8 Ų853.9 Ų53.94%0.04326%0.258CS..  trans-78.1-178.3171.877.12.1000112.7L351 H356 Q384 K385 R386L351-D382 WeakPolarHBondContact O-CA 3.45Å; H356-D382 PolarHBondContact CE1-N 3.07Å; H356-D382 PolarHBondContact NE2-N 3.44Å; D382-Q384 PolarHBondContact O-N 2.91Å; D382-Q384 VanDerWaalsContact O-N 3.14Å; D382-Q384 WeakPolarHBondContact OD1-CA 3.15Å; D382-Q384 WeakPolarHBondContact OD1-CB 3.48Å; D382-Q384 PolarHBondContact OD1-N 3.38Å; D382-K385 PolarHBondContact O-N 3.34Å; D382-K385 PolarHBondContact OD1-N 3.39Å; D382-K385 VanDerWaalsContact OD1-N 3.15Å; D382-R386 PolarHBondContact N-O 3.03Å; D382-R386 PolarHBondContact OD1-N 2.95Å; D382-R386 IonicContact OD1-NE 3.7Å; D382-R386 IonicContact OD2-CZ 3.17Å; D382-R386 IonicContact OD2-NE 2.78Å; D382-R386 PolarHBondContact OD2-NE 3.18Å; D382-R386 IonicContact OD2-NH2 2.73Å; D382-R386 PolarHBondContact OD2-NH2 3.4Å
383Q89.8Confident94.3Very high127 Ų12751.9 Ų51.959%0.59325%0.249SC*.THydrogen-bonded Turntrans-57-27.2177-177.61754.300113.6Q350 L351 K385Q350-Q383 VanDerWaalsContact O-CB 3.26Å; Q350-Q383 WeakPolarHBondContact O-CB 3.36Å; L351-Q383 HydrophobicContact CB-CB 4.13Å; L351-Q383 HydrophobicContact CD1-CB 4.33Å; L351-Q383 HydrophobicContact CD1-CG 4.44Å; Q383-K385 VanDerWaalsContact C-N 3.32Å
384Q87.9Confident94.2Very high135 Ų13555.4 Ų55.463%0.63127%0.265SS*.THydrogen-bonded Turntrans-93.310.1180-63.1177.17.500112.5D382 R386D382-Q384 PolarHBondContact O-N 2.91Å; D382-Q384 VanDerWaalsContact O-N 3.14Å; D382-Q384 WeakPolarHBondContact OD1-CA 3.15Å; D382-Q384 WeakPolarHBondContact OD1-CB 3.48Å; D382-Q384 PolarHBondContact OD1-N 3.38Å; Q384-R386 HydrophobicContact CB-CG 4.16Å; Q384-R386 PolarHBondContact O-N 2.97Å; Q384-R386 VanDerWaalsContact OE1-CZ 3.28Å
385K92.9Very high94.2Very high145 Ų14554.1 Ų54.163%0.6325%0.254SS*.SBendtrans64.126.8-177.8-59-55.8-157.6167.60113.8E381 D382 Q383E381-K385 VanDerWaalsContact OE2-CD 3.25Å; E381-K385 WeakPolarHBondContact OE2-CD 3.46Å; E381-K385 IonicContact OE2-NZ 2.76Å; E381-K385 PolarHBondContact OE2-NZ 3.47Å; D382-K385 PolarHBondContact O-N 3.34Å; D382-K385 PolarHBondContact OD1-N 3.39Å; D382-K385 VanDerWaalsContact OD1-N 3.15Å; Q383-K385 VanDerWaalsContact C-N 3.32Å
386R94.4Very high94.2Very high48 Ų4858 Ų5818%0.18127%0.271CS..  trans-93.3143.1175-58.1179.7-59.6172.3-2.5110.1H356 E381 D382 Q384 Q390 V391 E394H356-R386 PolarHBondContact NE2-O 3.14Å; E381-R386 VanDerWaalsContact CA-O 3.31Å; E381-R386 WeakPolarHBondContact CA-O 3.27Å; D382-R386 PolarHBondContact N-O 3.03Å; D382-R386 PolarHBondContact OD1-N 2.95Å; D382-R386 IonicContact OD1-NE 3.7Å; D382-R386 IonicContact OD2-CZ 3.17Å; D382-R386 IonicContact OD2-NE 2.78Å; D382-R386 PolarHBondContact OD2-NE 3.18Å; D382-R386 IonicContact OD2-NH2 2.73Å; D382-R386 PolarHBondContact OD2-NH2 3.4Å; Q384-R386 HydrophobicContact CB-CG 4.16Å; Q384-R386 PolarHBondContact O-N 2.97Å; Q384-R386 VanDerWaalsContact OE1-CZ 3.28Å; R386-Q390 HydrophobicContact CB-CB 4.48Å; R386-V391 HydrophobicContact CB-CG2 3.89Å; R386-E394 IonicContact CZ-OE2 2.74Å; R386-E394 IonicContact NH1-OE2 2.78Å; R386-E394 PolarHBondContact NH1-OE2 3.49Å
387S96.3Very high93.8Very high33 Ų3361.4 Ų61.423%0.23129%0.286CS..  trans-84.1159.8169.863.70000111.2L389 Q390 V391S387-L389 PolarHBondContact O-N 3.07Å; S387-L389 VanDerWaalsContact O-N 3.16Å; S387-Q390 PolarHBondContact O-N 3.19Å; S387-Q390 VanDerWaalsContact O-N 3.12Å; S387-Q390 WeakPolarHBondContact OG-CG 3.28Å; S387-Q390 PolarHBondContact OG-N 2.88Å; S387-Q390 PolarHBondContact OG-OE1 2.95Å; S387-V391 WeakPolarHBondContact O-CG2 3.21Å; S387-V391 PolarHBondContact O-N 2.95Å
388P96.4Very high93.7Very high2 Ų266.4 Ų66.41%0.01331%0.313CS..Hα-helixtrans-54.3-33.8172.3-27.834.5000113.2L355 A359 I380 V391 C392 L407L355-P388 HydrophobicContact CB-CG 4.2Å; L355-P388 HydrophobicContact CD2-CB 4.3Å; L355-P388 HydrophobicContact CD2-CG 3.81Å; L355-P388 HydrophobicContact CG-CB 3.87Å; L355-P388 HydrophobicContact CG-CG 3.72Å; A359-P388 HydrophobicContact CB-CB 3.87Å; A359-P388 VanDerWaalsContact CB-O 3.29Å; A359-P388 WeakPolarHBondContact CB-O 3.38Å; I380-P388 HydrophobicContact CG2-CG 3.95Å; I380-P388 VanDerWaalsContact O-CD 3.24Å; I380-P388 WeakPolarHBondContact O-CD 3.41Å; P388-V391 PolarHBondContact O-N 3.27Å; P388-C392 WeakPolarHBondContact O-CB 3.26Å; P388-C392 PolarHBondContact O-N 3.37Å; P388-L407 HydrophobicContact CB-CD1 4.35Å; P388-L407 HydrophobicContact CB-CD2 4.26Å
389L96.6Very high93.8Very high38 Ų3870.2 Ų70.220%0.19933%0.332CS..Hα-helixtrans-63.2-49.6176.8-178.569.1000111.7S387 V391 C392 E393 I404 L407 Q408S387-L389 PolarHBondContact O-N 3.07Å; S387-L389 VanDerWaalsContact O-N 3.16Å; L389-V391 VanDerWaalsContact C-N 3.34Å; L389-V391 PolarHBondContact O-N 3.08Å; L389-C392 WeakPolarHBondContact O-CB 3.48Å; L389-C392 PolarHBondContact O-N 3.16Å; L389-E393 PolarHBondContact O-N 2.91Å; L389-I404 HydrophobicContact CD1-CB 4.18Å; L389-I404 HydrophobicContact CD1-CG1 3.92Å; L389-I404 HydrophobicContact CD1-CG2 3.98Å; L389-L407 HydrophobicContact CB-CD1 4.32Å; L389-L407 HydrophobicContact CD1-CB 4.03Å; L389-L407 HydrophobicContact CD1-CD1 4.3Å; L389-Q408 HydrophobicContact CD1-CG 4.17Å; L389-Q408 HydrophobicContact CD2-CG 4.39Å
390Q95.9Very high93.9Very high88 Ų8870.2 Ų70.241%0.41133%0.329SS..Hα-helixtrans-62.1-42.4178-73163.9-36.400111.4R386 S387 C392 E393 E394R386-Q390 HydrophobicContact CB-CB 4.48Å; S387-Q390 PolarHBondContact O-N 3.19Å; S387-Q390 VanDerWaalsContact O-N 3.12Å; S387-Q390 WeakPolarHBondContact OG-CG 3.28Å; S387-Q390 PolarHBondContact OG-N 2.88Å; S387-Q390 PolarHBondContact OG-OE1 2.95Å; Q390-C392 VanDerWaalsContact C-N 3.3Å; Q390-C392 PolarHBondContact O-N 3.31Å; Q390-E393 PolarHBondContact O-N 2.84Å; Q390-E394 WeakPolarHBondContact O-CB 3.35Å; Q390-E394 VanDerWaalsContact O-CG 3.3Å; Q390-E394 WeakPolarHBondContact O-CG 3.28Å; Q390-E394 PolarHBondContact O-N 3.22Å
391V95.6Very high94.1Very high3 Ų375.6 Ų75.62%0.01836%0.355CS..Hα-helixtrans-63.1-37.8177.4177.70000111.4R360 R386 S387 P388 L389 N395R360-V391 HydrophobicContact CB-CG1 3.54Å; R360-V391 HydrophobicContact CG-CG1 3.89Å; R386-V391 HydrophobicContact CB-CG2 3.89Å; S387-V391 WeakPolarHBondContact O-CG2 3.21Å; S387-V391 PolarHBondContact O-N 2.95Å; P388-V391 PolarHBondContact O-N 3.27Å; L389-V391 VanDerWaalsContact C-N 3.34Å; L389-V391 PolarHBondContact O-N 3.08Å; V391-N395 PolarHBondContact O-N 2.89Å; V391-N395 PolarHBondContact O-ND2 3.13Å
392C96.4Very high94.3Very high0 Ų074.8 Ų74.80%035%0.351CS..Hα-helixtrans-62.9-47.5174.6-1690000111.9A359 P388 L389 Q390 E394 N395 K396 W400 T403 I404A359-C392 HydrophobicContact CB-CB 4.16Å; A359-C392 WeakPolarHBondContact O-CA 3.47Å; A359-C392 WeakPolarHBondContact O-CB 3.39Å; A359-C392 PolarHBondContact O-SG 2.84Å; A359-C392 VanDerWaalsContact O-SG 3.39Å; P388-C392 WeakPolarHBondContact O-CB 3.26Å; P388-C392 PolarHBondContact O-N 3.37Å; L389-C392 WeakPolarHBondContact O-CB 3.48Å; L389-C392 PolarHBondContact O-N 3.16Å; Q390-C392 VanDerWaalsContact C-N 3.3Å; Q390-C392 PolarHBondContact O-N 3.31Å; C392-E394 VanDerWaalsContact C-N 3.34Å; C392-E394 PolarHBondContact O-N 3.17Å; C392-N395 PolarHBondContact O-N 3.02Å; C392-K396 PolarHBondContact O-N 3.5Å; C392-W400 PolarHBondContact SG-O 3.24Å; C392-T403 HydrophobicContact CB-CG2 4.45Å; C392-T403 VanDerWaalsContact SG-CG2 3.55Å; C392-I404 HydrophobicContact CB-CG1 4.35Å
393E95Very high94.7Very high82 Ų8274.4 Ų74.438%0.38335%0.349SS..Hα-helixtrans-64.3-34.7-179.8-76.7177.1177.900113.4L389 Q390 K396 I404L389-E393 PolarHBondContact O-N 2.91Å; Q390-E393 PolarHBondContact O-N 2.84Å; E393-K396 WeakPolarHBondContact O-CE 3.45Å; E393-K396 WeakPolarHBondContact O-CG 3.45Å; E393-I404 HydrophobicContact CB-CD1 4.46Å; E393-I404 HydrophobicContact CG-CD1 3.33Å; E393-I404 HydrophobicContact CG-CG1 4.06Å
394E94.9Very high95Very high115 Ų11569.2 Ų69.254%0.53733%0.325SS..Hα-helixtrans-71.8-41.9178.6-75.6171.4-171.800112.6R386 Q390 C392R386-E394 IonicContact CZ-OE2 2.74Å; R386-E394 IonicContact NH1-OE2 2.78Å; R386-E394 PolarHBondContact NH1-OE2 3.49Å; Q390-E394 WeakPolarHBondContact O-CB 3.35Å; Q390-E394 VanDerWaalsContact O-CG 3.3Å; Q390-E394 WeakPolarHBondContact O-CG 3.28Å; Q390-E394 PolarHBondContact O-N 3.22Å; C392-E394 VanDerWaalsContact C-N 3.34Å; C392-E394 PolarHBondContact O-N 3.17Å
395N93.7Very high95.5Very high45 Ų4567.3 Ų67.324%0.24131%0.314CS..Hα-helixtrans-88.9-32.4-171.7-69.3-89.4000113.2R360 V391 C392 Q397R360-N395 HydrophobicContact CG-CB 4.25Å; R360-N395 PolarHBondContact NE-OD1 3.19Å; V391-N395 PolarHBondContact O-N 2.89Å; V391-N395 PolarHBondContact O-ND2 3.13Å; C392-N395 PolarHBondContact O-N 3.02Å; N395-Q397 VanDerWaalsContact C-N 3.33Å; N395-Q397 HydrophobicContact CB-CG 4.27Å; N395-Q397 PolarHBondContact O-N 3.43Å
396K95Very high95.7Very high130 Ų13061.7 Ų61.757%0.56529%0.291SS*.  trans48.846.5177.3-54.1-174.1-179.5179.80114.5C392 E393 W400C392-K396 PolarHBondContact O-N 3.5Å; E393-K396 WeakPolarHBondContact O-CE 3.45Å; E393-K396 WeakPolarHBondContact O-CG 3.45Å; K396-W400 HydrophobicContact CB-CD2 4.02Å; K396-W400 HydrophobicContact CB-CG 4.12Å; K396-W400 HydrophobicContact CD-CH2 4.38Å; K396-W400 HydrophobicContact CD-CZ2 4.27Å; K396-W400 HydrophobicContact CG-CD2 4.08Å; K396-W400 HydrophobicContact CG-CE3 4.18Å; K396-W400 HydrophobicContact CG-CZ2 4.44Å; K396-W400 HydrophobicContact CG-CZ3 4.42Å
397Q90.6Very high95.7Very high83 Ų8360 Ų6039%0.38829%0.285SS..  trans-96.6151.8179.2-63.2-174.7-7.900111.4G362 N395 E399 W400G362-Q397 WeakPolarHBondContact CA-O 3.33Å; N395-Q397 VanDerWaalsContact C-N 3.33Å; N395-Q397 HydrophobicContact CB-CG 4.27Å; N395-Q397 PolarHBondContact O-N 3.43Å; Q397-E399 PolarHBondContact O-N 3.48Å; Q397-W400 VanDerWaalsContact O-CB 3.31Å; Q397-W400 WeakPolarHBondContact O-CB 3.15Å; Q397-W400 PolarHBondContact O-N 2.94Å
398N94.9Very high95.7Very high111 Ų11163.2 Ų63.259%0.59430%0.297SS*.THydrogen-bonded Turntrans45-127.9174.7-54.7-41.4000113.4G361 H363 W400G361-N398 WeakPolarHBondContact O-CB 3.45Å; G361-N398 PolarHBondContact O-ND2 2.85Å; H363-N398 PolarHBondContact CE1-ND2 3.44Å; N398-W400 PolarHBondContact O-N 2.84Å; N398-W400 VanDerWaalsContact O-N 3.14Å
399E95.4Very high95.5Very high112 Ų11268.4 Ų68.452%0.52332%0.321SS..THydrogen-bonded Turntrans-88.344.3-176.5-54.2176.2136.200111.9G362 A364 Q397 E401 E402 T403G362-E399 CarbonylContact O-C 3.59Å; G362-E399 WeakPolarHBondContact O-CA 3.29Å; G362-E399 WeakPolarHBondContact O-CB 3.49Å; G362-E399 PolarHBondContact O-N 3.41Å; A364-E399 HydrophobicContact CB-CB 4.16Å; Q397-E399 PolarHBondContact O-N 3.48Å; E399-E401 VanDerWaalsContact C-N 3.29Å; E399-E401 PolarHBondContact O-N 3.4Å; E399-E402 PolarHBondContact O-N 3.12Å; E399-T403 WeakPolarHBondContact O-CB 3.18Å; E399-T403 PolarHBondContact O-N 3.47Å; E399-T403 PolarHBondContact O-OG1 3.43Å
400W96.2Very high95.3Very high64 Ų6466.7 Ų66.724%0.24231%0.313CS..Hα-helixtrans-60.1-34.2-175.770.3-81.3000113.4C392 K396 Q397 N398 T403 I404C392-W400 PolarHBondContact SG-O 3.24Å; K396-W400 HydrophobicContact CB-CD2 4.02Å; K396-W400 HydrophobicContact CB-CG 4.12Å; K396-W400 HydrophobicContact CD-CH2 4.38Å; K396-W400 HydrophobicContact CD-CZ2 4.27Å; K396-W400 HydrophobicContact CG-CD2 4.08Å; K396-W400 HydrophobicContact CG-CE3 4.18Å; K396-W400 HydrophobicContact CG-CZ2 4.44Å; K396-W400 HydrophobicContact CG-CZ3 4.42Å; Q397-W400 VanDerWaalsContact O-CB 3.31Å; Q397-W400 WeakPolarHBondContact O-CB 3.15Å; Q397-W400 PolarHBondContact O-N 2.94Å; N398-W400 PolarHBondContact O-N 2.84Å; N398-W400 VanDerWaalsContact O-N 3.14Å; W400-T403 WeakPolarHBondContact O-CB 3.22Å; W400-T403 PolarHBondContact O-N 2.97Å; W400-I404 HydrophobicContact CE3-CD1 3.35Å; W400-I404 HydrophobicContact CE3-CG1 4.39Å; W400-I404 HydrophobicContact CZ3-CD1 3.39Å; W400-I404 WeakPolarHBondContact O-CG1 3.41Å; W400-I404 PolarHBondContact O-N 3.15Å
401E97.2Very high94.8Very high121 Ų12166.3 Ų66.357%0.56531%0.313SS*.Hα-helixtrans-64.9-42.7178.3-65.7-173.7168.200112E399 I404 K405E399-E401 VanDerWaalsContact C-N 3.29Å; E399-E401 PolarHBondContact O-N 3.4Å; E401-I404 PolarHBondContact O-N 3.06Å; E401-K405 WeakPolarHBondContact O-CG 3.3Å; E401-K405 PolarHBondContact O-N 3.01Å
402E97Very high94.4Very high81 Ų8171 Ų7138%0.37935%0.347SS..Hα-helixtrans-70.4-38.1176.7-169.857.8-156.100111A364 E399 I404 K405 L406A364-E402 HydrophobicContact CB-CB 4.23Å; A364-E402 HydrophobicContact CB-CG 4.17Å; E399-E402 PolarHBondContact O-N 3.12Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 3.48Å; E402-K405 WeakPolarHBondContact O-CB 3.44Å; E402-K405 PolarHBondContact O-N 2.91Å; E402-K405 WeakPolarHBondContact OE2-CD 3.37Å; E402-K405 IonicContact OE2-NZ 2.79Å; E402-K405 PolarHBondContact OE2-NZ 3.32Å; E402-L406 WeakPolarHBondContact O-CG 3.26Å; E402-L406 PolarHBondContact O-N 2.81Å
403T96.9Very high94.1Very high0 Ų075.7 Ų75.70%037%0.367CS..Hα-helixtrans-58.4-44174.1-61.80000112.2A359 G362 A364 V367 C392 E399 W400 L406 L407A359-T403 HydrophobicContact CB-CG2 4.29Å; G362-T403 PolarHBondContact O-OG1 3.05Å; A364-T403 WeakPolarHBondContact CA-OG1 3.1Å; V367-T403 HydrophobicContact CB-CG2 4.31Å; V367-T403 HydrophobicContact CG1-CG2 4.26Å; V367-T403 HydrophobicContact CG2-CG2 3.8Å; C392-T403 HydrophobicContact CB-CG2 4.45Å; C392-T403 VanDerWaalsContact SG-CG2 3.55Å; E399-T403 WeakPolarHBondContact O-CB 3.18Å; E399-T403 PolarHBondContact O-N 3.47Å; E399-T403 PolarHBondContact O-OG1 3.43Å; W400-T403 WeakPolarHBondContact O-CB 3.22Å; W400-T403 PolarHBondContact O-N 2.97Å; T403-L406 PolarHBondContact O-N 2.94Å; T403-L407 HydrophobicContact CG2-CD1 3.95Å; T403-L407 WeakPolarHBondContact O-CG 3.44Å; T403-L407 PolarHBondContact O-N 3.11Å
404I96.8Very high94Very high17 Ų1777.1 Ų77.19%0.08738%0.383CS..Hα-helixtrans-59.7-47174.5-77.2172.7000111L389 C392 E393 W400 E401 E402 L406 L407 Q408L389-I404 HydrophobicContact CD1-CB 4.18Å; L389-I404 HydrophobicContact CD1-CG1 3.92Å; L389-I404 HydrophobicContact CD1-CG2 3.98Å; C392-I404 HydrophobicContact CB-CG1 4.35Å; E393-I404 HydrophobicContact CB-CD1 4.46Å; E393-I404 HydrophobicContact CG-CD1 3.33Å; E393-I404 HydrophobicContact CG-CG1 4.06Å; W400-I404 HydrophobicContact CE3-CD1 3.35Å; W400-I404 HydrophobicContact CE3-CG1 4.39Å; W400-I404 HydrophobicContact CZ3-CD1 3.39Å; W400-I404 WeakPolarHBondContact O-CG1 3.41Å; W400-I404 PolarHBondContact O-N 3.15Å; E401-I404 PolarHBondContact O-N 3.06Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 3.48Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 PolarHBondContact O-N 3.13Å; I404-L407 PolarHBondContact O-N 3.15Å; I404-Q408 HydrophobicContact CG2-CG 4.25Å; I404-Q408 WeakPolarHBondContact O-CB 3.21Å; I404-Q408 VanDerWaalsContact O-CG 3.31Å; I404-Q408 WeakPolarHBondContact O-CG 3.35Å; I404-Q408 PolarHBondContact O-N 2.91Å
405K96.9Very high93.9Very high95 Ų9574.9 Ų74.941%0.41337%0.37SS..Hα-helixtrans-58.8-44.1178.3-67.9176.2-154.9154.20111.1E401 E402 Q408 Q409E401-K405 WeakPolarHBondContact O-CG 3.3Å; E401-K405 PolarHBondContact O-N 3.01Å; E402-K405 WeakPolarHBondContact O-CB 3.44Å; E402-K405 PolarHBondContact O-N 2.91Å; E402-K405 WeakPolarHBondContact OE2-CD 3.37Å; E402-K405 IonicContact OE2-NZ 2.79Å; E402-K405 PolarHBondContact OE2-NZ 3.32Å; K405-Q408 PolarHBondContact O-N 3.43Å; K405-Q409 VanDerWaalsContact O-CB 3.29Å; K405-Q409 WeakPolarHBondContact O-CB 3.25Å; K405-Q409 WeakPolarHBondContact O-CG 3.42Å; K405-Q409 PolarHBondContact O-N 2.98Å
406L97.1Very high94Very high28 Ų2877.5 Ų77.515%0.14738%0.381CS..Hα-helixtrans-62-44.8178-70.5170.4000112.2A364 V367 K368 L371 E402 T403 I404 Q409 A410A364-L406 HydrophobicContact CB-CD1 4.04Å; A364-L406 WeakPolarHBondContact O-CD1 3.33Å; V367-L406 HydrophobicContact CG1-CB 4.3Å; K368-L406 HydrophobicContact CB-CD1 4.06Å; L371-L406 HydrophobicContact CD1-CB 4.34Å; E402-L406 WeakPolarHBondContact O-CG 3.26Å; E402-L406 PolarHBondContact O-N 2.81Å; T403-L406 PolarHBondContact O-N 2.94Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 PolarHBondContact O-N 3.13Å; L406-Q409 PolarHBondContact O-N 3.39Å; L406-A410 WeakPolarHBondContact O-CB 3.42Å; L406-A410 PolarHBondContact O-N 3.38Å
407L95.5Very high94.1Very high11 Ų1177.1 Ų77.16%0.05838%0.379CS..Hα-helixtrans-65.2-42.3178.6-70.6167.9000111.8L355 A359 V367 L371 P388 L389 T403 I404 A410 N411L355-L407 HydrophobicContact CD1-CD2 4.17Å; L355-L407 HydrophobicContact CD2-CD2 4.41Å; L355-L407 HydrophobicContact CG-CD2 4.44Å; A359-L407 HydrophobicContact CB-CD1 4.11Å; V367-L407 HydrophobicContact CG1-CD2 3.92Å; V367-L407 HydrophobicContact CG1-CG 4Å; L371-L407 HydrophobicContact CD1-CD2 4.18Å; L371-L407 HydrophobicContact CD2-CD2 4.48Å; P388-L407 HydrophobicContact CB-CD1 4.35Å; P388-L407 HydrophobicContact CB-CD2 4.26Å; L389-L407 HydrophobicContact CB-CD1 4.32Å; L389-L407 HydrophobicContact CD1-CB 4.03Å; L389-L407 HydrophobicContact CD1-CD1 4.3Å; T403-L407 HydrophobicContact CG2-CD1 3.95Å; T403-L407 WeakPolarHBondContact O-CG 3.44Å; T403-L407 PolarHBondContact O-N 3.11Å; I404-L407 PolarHBondContact O-N 3.15Å; L407-A410 PolarHBondContact O-N 3.28Å; L407-N411 PolarHBondContact O-N 3.17Å
408Q94.8Very high94.4Very high101 Ų10174.1 Ų74.147%0.47237%0.366SS..Hα-helixtrans-66-45.1176.2-71.6175.3-10.500111.9L389 I404 K405 A410 N411L389-Q408 HydrophobicContact CD1-CG 4.17Å; L389-Q408 HydrophobicContact CD2-CG 4.39Å; I404-Q408 HydrophobicContact CG2-CG 4.25Å; I404-Q408 WeakPolarHBondContact O-CB 3.21Å; I404-Q408 VanDerWaalsContact O-CG 3.31Å; I404-Q408 WeakPolarHBondContact O-CG 3.35Å; I404-Q408 PolarHBondContact O-N 2.91Å; K405-Q408 PolarHBondContact O-N 3.43Å; Q408-A410 VanDerWaalsContact C-N 3.27Å; Q408-A410 PolarHBondContact O-N 3.06Å; Q408-N411 WeakPolarHBondContact O-CB 3.43Å; Q408-N411 PolarHBondContact O-N 3.46Å; Q408-N411 VanDerWaalsContact O-N 3.16Å
409Q93.9Very high94.6Very high112 Ų11274.9 Ų74.952%0.52336%0.361SS..Hα-helixtrans-64.3-32.5176-73.3174.213.500112.1K405 L406 N411 S412K405-Q409 VanDerWaalsContact O-CB 3.29Å; K405-Q409 WeakPolarHBondContact O-CB 3.25Å; K405-Q409 WeakPolarHBondContact O-CG 3.42Å; K405-Q409 PolarHBondContact O-N 2.98Å; L406-Q409 PolarHBondContact O-N 3.39Å; Q409-N411 VanDerWaalsContact C-N 3.25Å; Q409-N411 PolarHBondContact O-N 3.38Å; Q409-S412 PolarHBondContact O-N 3.47Å; Q409-S412 PolarHBondContact O-OG 2.99Å
410A91.3Very high94.7Very high2 Ų269.7 Ų69.72%0.01734%0.337CS..Hα-helixtrans-66-28.5175.700000112.4L371 R378 L406 L407 Q408 S412 K413L371-A410 HydrophobicContact CD1-CB 3.85Å; L371-A410 HydrophobicContact CD2-CB 3.77Å; L371-A410 HydrophobicContact CG-CB 4.27Å; R378-A410 WeakPolarHBondContact CD-O 3.31Å; R378-A410 VanDerWaalsContact CZ-O 3.29Å; R378-A410 PolarHBondContact NH1-O 3.27Å; L406-A410 WeakPolarHBondContact O-CB 3.42Å; L406-A410 PolarHBondContact O-N 3.38Å; L407-A410 PolarHBondContact O-N 3.28Å; Q408-A410 VanDerWaalsContact C-N 3.27Å; Q408-A410 PolarHBondContact O-N 3.06Å; A410-S412 PolarHBondContact O-N 3.47Å; A410-K413 PolarHBondContact O-N 3.15Å
411N85.5Confident94.9Very high79 Ų7968.3 Ų68.342%0.42233%0.332SS..Hα-helixtrans-65.5-23.2178-74.6-20.8000113.8L407 Q408 Q409L407-N411 PolarHBondContact O-N 3.17Å; Q408-N411 WeakPolarHBondContact O-CB 3.43Å; Q408-N411 PolarHBondContact O-N 3.46Å; Q408-N411 VanDerWaalsContact O-N 3.16Å; Q409-N411 VanDerWaalsContact C-N 3.25Å; Q409-N411 PolarHBondContact O-N 3.38Å
412S88Confident94.9Very high103 Ų10364.5 Ų64.572%0.7231%0.312SS*.Hα-helixtrans-88.7-11.4176.365.30000114Q409 A410Q409-S412 PolarHBondContact O-N 3.47Å; Q409-S412 PolarHBondContact O-OG 2.99Å; A410-S412 PolarHBondContact O-N 3.47Å
413K89.8Confident94.9Very high98 Ų9861.9 Ų61.943%0.42630%0.3SS..SBendtrans-69144.8178.5-69.8-176.6-179.1178.20111.4R378 A410R378-K413 PolarHBondContact NH1-O 2.9Å; A410-K413 PolarHBondContact O-N 3.15Å
414P92.5Very high94.8Very high111 Ų11165.2 Ų65.272%0.72132%0.318SS*.PPolyproline II helixtrans-58.8151173.926.3-34.2000111.3R378R378-P414 PolarHBondContact NH2-O 2.84Å
415Y93.6Very high94.7Very high68 Ų6866.9 Ų66.927%0.26734%0.339SS..PPolyproline II helixtrans-76.5147.4173.4-63.5-72000110.8H379H379-Y415 AromaticContact NE2-CE1 3.7Å; H379-Y415 AromaticContact NE2-CZ 3.82Å; H379-Y415 PolarHBondContact NE2-OH 2.96Å
416E95.3Very high94.7Very high100 Ų10064.4 Ų64.447%0.46733%0.334SS..PPolyproline II helixtrans-63154.8168.3-72-62164.400111.3P374 E431 L432P374-E416 HydrophobicContact CB-CG 4.19Å; P374-E416 WeakPolarHBondContact O-CG 3.32Å; E416-E431 CarbonylContact O-C 3.57Å; E416-E431 WeakPolarHBondContact O-CA 3.46Å; E416-L432 HydrophobicContact CB-CD1 4.27Å; E416-L432 WeakPolarHBondContact O-CB 3.37Å; E416-L432 PolarHBondContact O-N 2.79Å
417K96.8Very high94.8Very high122 Ų12268.5 Ų68.553%0.5335%0.348SS..EExtended strand (participates in β ladder)trans-123.4140.5-175.1-64.3180-177.9-178.50111.6V430 E431K417-V430 CarbonylContact C-O 3.31Å; K417-V430 VanDerWaalsContact CA-O 3.23Å; K417-V430 WeakPolarHBondContact CA-O 3.36Å; K417-E431 HydrophobicContact CD-CG 4.3Å; K417-E431 WeakPolarHBondContact CE-OE1 3.41Å; K417-E431 HydrophobicContact CG-CG 3.94Å; K417-E431 IonicContact NZ-OE1 3.09Å
418V97.8Very high94.8Very high20 Ų2073.7 Ų73.712%0.12137%0.367CS..EExtended strand (participates in β ladder)trans-112.8142.6171.667.70000110.6I420 S429 V430 L432 I443 L477 L502V418-I420 HydrophobicContact CG1-CD1 3.92Å; V418-I420 HydrophobicContact CG1-CG1 4.49Å; V418-S429 CarbonylContact O-C 3.47Å; V418-S429 WeakPolarHBondContact O-CA 3.47Å; V418-V430 HydrophobicContact CG1-CB 4.39Å; V418-V430 PolarHBondContact N-O 3.31Å; V418-V430 PolarHBondContact O-N 2.97Å; V418-L432 HydrophobicContact CB-CD1 4.19Å; V418-L432 HydrophobicContact CB-CD2 4.18Å; V418-L432 HydrophobicContact CB-CG 4.33Å; V418-L432 HydrophobicContact CG1-CD2 3.7Å; V418-L432 HydrophobicContact CG1-CG 4.21Å; V418-I443 HydrophobicContact CG1-CD1 4.37Å; V418-L477 HydrophobicContact CB-CD1 4.41Å; V418-L477 HydrophobicContact CG2-CD1 4.22Å; V418-L502 HydrophobicContact CG2-CD1 3.83Å
419R98.5Very high95Very high128 Ų12871.9 Ų71.948%0.48337%0.366SS..EExtended strand (participates in β ladder)trans-84.6124.8174.3-64.2-179.9-177.6166.1-1.9109.8Y421 Y427R419-Y421 HydrophobicContact CB-CD2 4.22Å; R419-Y421 HydrophobicContact CB-CE2 3.57Å; R419-Y421 WeakPolarHBondContact CD-OH 3.35Å; R419-Y427 HydrophobicContact CB-CD2 3.94Å; R419-Y427 HydrophobicContact CB-CG 4.23Å; R419-Y427 HydrophobicContact CG-CD2 3.66Å; R419-Y427 HydrophobicContact CG-CE2 3.81Å; R419-Y427 HydrophobicContact CG-CG 4.3Å
420I98.6Very high95.2Very high2 Ų266.6 Ų66.61%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-107.3110.3171.9-51.9-55.7000107.9V418 Y427 R428 V430 I443 M447 I459 L502 L504V418-I420 HydrophobicContact CG1-CD1 3.92Å; V418-I420 HydrophobicContact CG1-CG1 4.49Å; I420-Y427 CarbonylContact O-C 3.54Å; I420-Y427 WeakPolarHBondContact O-CA 3.46Å; I420-Y427 WeakPolarHBondContact O-CB 3.22Å; I420-R428 PolarHBondContact N-O 2.78Å; I420-R428 PolarHBondContact O-N 3.22Å; I420-V430 HydrophobicContact CG1-CB 4.38Å; I420-V430 HydrophobicContact CG1-CG2 3.77Å; I420-I443 HydrophobicContact CD1-CG2 3.76Å; I420-I443 HydrophobicContact CG1-CG2 3.87Å; I420-M447 HydrophobicContact CB-CE 4.14Å; I420-M447 HydrophobicContact CB-SD 3.8Å; I420-M447 HydrophobicContact CG1-SD 3.91Å; I420-M447 HydrophobicContact CG2-CE 3.85Å; I420-M447 HydrophobicContact CG2-SD 3.94Å; I420-I459 HydrophobicContact CD1-CD1 4.47Å; I420-I459 HydrophobicContact CG2-CD1 3.72Å; I420-L502 HydrophobicContact CD1-CB 3.7Å; I420-L502 HydrophobicContact CD1-CD1 3.83Å; I420-L502 HydrophobicContact CD1-CG 4.43Å; I420-L504 HydrophobicContact CG2-CB 3.98Å
421Y98.6Very high95.4Very high36 Ų3670.9 Ų70.914%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-84.8159.8-175.1-69.4-94.4000112.3R419 S426 Y427 Q501 L502 F503 L504R419-Y421 HydrophobicContact CB-CD2 4.22Å; R419-Y421 HydrophobicContact CB-CE2 3.57Å; R419-Y421 WeakPolarHBondContact CD-OH 3.35Å; Y421-S426 CarbonylContact C-O 3.47Å; Y421-S426 VanDerWaalsContact CA-O 3.3Å; Y421-S426 WeakPolarHBondContact CA-O 3.18Å; Y421-Y427 HydrophobicContact CD1-CD1 4.18Å; Y421-Y427 HydrophobicContact CD1-CG 4.34Å; Y421-Y427 AromaticContact CE1-CD1 3.66Å; Y421-Y427 HydrophobicContact CE1-CD1 3.66Å; Y421-Y427 HydrophobicContact CE1-CG 4.07Å; Y421-Q501 HydrophobicContact CD2-CB 4.1Å; Y421-Q501 HydrophobicContact CE2-CB 4.32Å; Y421-Q501 HydrophobicContact CE2-CG 4.36Å; Y421-L502 PolarHBondContact N-O 2.84Å; Y421-F503 VanDerWaalsContact CB-CE1 3.46Å; Y421-F503 HydrophobicContact CG-CE1 4.39Å; Y421-F503 CarbonylContact O-C 3.59Å; Y421-F503 WeakPolarHBondContact O-CA 3.36Å; Y421-L504 PolarHBondContact O-N 3.15Å
422R98Very high95.9Very high41 Ų4167.5 Ų67.516%0.15534%0.343CS..  trans-116.8166.8166.4-73.8171.258.5-169.31.7109.3D424 G425 S426 D529R422-D424 WeakPolarHBondContact CB-OD1 3.34Å; R422-D424 PolarHBondContact O-N 2.92Å; R422-G425 PolarHBondContact O-N 2.72Å; R422-S426 PolarHBondContact N-O 3.3Å; R422-D529 IonicContact CZ-OD2 3.85Å; R422-D529 IonicContact NH2-OD2 2.78Å; R422-D529 PolarHBondContact NH2-OD2 2.9Å
423M95.9Very high96.1Very high26 Ų2668.1 Ų68.113%0.12833%0.333CS..THydrogen-bonded Turntrans-69.5-12.8-175.2-59.1-52.2-62.700114.3G425 F503 R505 E530 H533M423-G425 VanDerWaalsContact C-N 3.29Å; M423-F503 HydrophobicContact SD-CD1 3.99Å; M423-F503 HydrophobicContact SD-CE1 4.4Å; M423-R505 HydrophobicContact SD-CG 4.1Å; M423-E530 HydrophobicContact CB-CB 4.45Å; M423-E530 HydrophobicContact CG-CB 3.96Å; M423-E530 HydrophobicContact CG-CG 4.04Å; M423-H533 HydrophobicContact CB-CB 3.89Å; M423-H533 HydrophobicContact CE-CB 4.42Å; M423-H533 WeakPolarHBondContact CE-CD2 3.03Å; M423-H533 VanDerWaalsContact CE-NE2 3.32Å; M423-H533 WeakPolarHBondContact CE-NE2 3.48Å; M423-H533 PolarHBondContact O-ND1 2.78Å
424D94.9Very high96.4Very high69 Ų6965.8 Ų65.837%0.36932%0.323SS..THydrogen-bonded Turntrans-82.6-3.5171.170.4-21.7000113.2R422 S426 D529R422-D424 WeakPolarHBondContact CB-OD1 3.34Å; R422-D424 PolarHBondContact O-N 2.92Å; D424-S426 VanDerWaalsContact C-N 3.34Å; D424-S426 VanDerWaalsContact CG-OG 3.3Å; D424-S426 WeakPolarHBondContact OD1-CB 3.49Å; D424-S426 PolarHBondContact OD1-N 3.38Å; D424-S426 PolarHBondContact OD1-OG 3.25Å; D424-S426 PolarHBondContact OD2-OG 3.22Å; D424-D529 HydrophobicContact CB-CB 4.25Å
425G95.6Very high96.5Very high52 Ų5260.7 Ų60.754%0.53629%0.29SS..SBendtrans88.7-7.1-177.900000114.4R422 M423R422-G425 PolarHBondContact O-N 2.72Å; M423-G425 VanDerWaalsContact C-N 3.29Å
426S97.3Very high96.6Very high43 Ų4357.4 Ų57.430%0.30128%0.278SS..  trans-68.5158.5172.371.90000110.9Y421 R422 D424Y421-S426 CarbonylContact C-O 3.47Å; Y421-S426 VanDerWaalsContact CA-O 3.3Å; Y421-S426 WeakPolarHBondContact CA-O 3.18Å; R422-S426 PolarHBondContact N-O 3.3Å; D424-S426 VanDerWaalsContact C-N 3.34Å; D424-S426 VanDerWaalsContact CG-OG 3.3Å; D424-S426 WeakPolarHBondContact OD1-CB 3.49Å; D424-S426 PolarHBondContact OD1-N 3.38Å; D424-S426 PolarHBondContact OD1-OG 3.25Å; D424-S426 PolarHBondContact OD2-OG 3.22Å
427Y98.1Very high96.6Very high114 Ų11453.4 Ų53.445%0.44726%0.259SS..EExtended strand (participates in β ladder)trans-144.7158.1174.866.5-95.3000112.6R419 I420 Y421R419-Y427 HydrophobicContact CB-CD2 3.94Å; R419-Y427 HydrophobicContact CB-CG 4.23Å; R419-Y427 HydrophobicContact CG-CD2 3.66Å; R419-Y427 HydrophobicContact CG-CE2 3.81Å; R419-Y427 HydrophobicContact CG-CG 4.3Å; I420-Y427 CarbonylContact O-C 3.54Å; I420-Y427 WeakPolarHBondContact O-CA 3.46Å; I420-Y427 WeakPolarHBondContact O-CB 3.22Å; Y421-Y427 HydrophobicContact CD1-CD1 4.18Å; Y421-Y427 HydrophobicContact CD1-CG 4.34Å; Y421-Y427 AromaticContact CE1-CD1 3.66Å; Y421-Y427 HydrophobicContact CE1-CD1 3.66Å; Y421-Y427 HydrophobicContact CE1-CG 4.07Å
428R97Very high96.6Very high120 Ų12047.6 Ų47.645%0.45323%0.234SC..EExtended strand (participates in β ladder)trans-115.8134.2167.6-177.5176.9-65.5-78.22.5109.5I420 V430 M447I420-R428 PolarHBondContact N-O 2.78Å; I420-R428 PolarHBondContact O-N 3.22Å; R428-V430 HydrophobicContact CG-CG2 4.45Å; R428-M447 HydrophobicContact CB-CE 4.24Å; R428-M447 HydrophobicContact CB-SD 4.2Å; R428-M447 VanDerWaalsContact CD-O 3.27Å; R428-M447 WeakPolarHBondContact CD-O 3.39Å; R428-M447 HydrophobicContact CG-SD 4.36Å; R428-M447 PolarHBondContact NE-O 3.21Å
429S97.8Very high96.6Very high63 Ų6348 Ų4844%0.44124%0.237SC..EExtended strand (participates in β ladder)trans-82.2125.5170.2-60.40000109.9V418V418-S429 CarbonylContact O-C 3.47Å; V418-S429 WeakPolarHBondContact O-CA 3.47Å
430V97.8Very high96.3Very high1 Ų142 Ų421%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-117.2136-179.6-178.70000109.9K417 V418 I420 R428 I443 M447K417-V430 CarbonylContact C-O 3.31Å; K417-V430 VanDerWaalsContact CA-O 3.23Å; K417-V430 WeakPolarHBondContact CA-O 3.36Å; V418-V430 HydrophobicContact CG1-CB 4.39Å; V418-V430 PolarHBondContact N-O 3.31Å; V418-V430 PolarHBondContact O-N 2.97Å; I420-V430 HydrophobicContact CG1-CB 4.38Å; I420-V430 HydrophobicContact CG1-CG2 3.77Å; R428-V430 HydrophobicContact CG-CG2 4.45Å; V430-I443 HydrophobicContact CG1-CG2 4.24Å; V430-I443 HydrophobicContact CG2-CG2 4.47Å; V430-M447 HydrophobicContact CG2-CG 4.14Å; V430-M447 HydrophobicContact CG2-SD 3.37Å; V430-M447 WeakPolarHBondContact CG2-SD 3.27Å
431E96.4Very high96.2Very high92 Ų9247.1 Ų47.143%0.4324%0.238SC..EExtended strand (participates in β ladder)trans-74.8135.6179-72.5173.8-174.100112.2E416 K417 K433E416-E431 CarbonylContact O-C 3.57Å; E416-E431 WeakPolarHBondContact O-CA 3.46Å; K417-E431 HydrophobicContact CD-CG 4.3Å; K417-E431 WeakPolarHBondContact CE-OE1 3.41Å; K417-E431 HydrophobicContact CG-CG 3.94Å; K417-E431 IonicContact NZ-OE1 3.09Å; E431-K433 PolarHBondContact O-N 2.85Å
432L96.3Very high96Very high9 Ų948.1 Ų48.15%0.04724%0.244CC..  trans-98.186.2-178.9-63.2170.8000109.7E416 V418 H434 G435 T438 L477E416-L432 HydrophobicContact CB-CD1 4.27Å; E416-L432 WeakPolarHBondContact O-CB 3.37Å; E416-L432 PolarHBondContact O-N 2.79Å; V418-L432 HydrophobicContact CB-CD1 4.19Å; V418-L432 HydrophobicContact CB-CD2 4.18Å; V418-L432 HydrophobicContact CB-CG 4.33Å; V418-L432 HydrophobicContact CG1-CD2 3.7Å; V418-L432 HydrophobicContact CG1-CG 4.21Å; L432-H434 PolarHBondContact O-N 3.28Å; L432-G435 PolarHBondContact O-N 2.85Å; L432-T438 HydrophobicContact CD2-CG2 4.11Å; L432-L477 HydrophobicContact CD1-CD1 4.34Å; L432-L477 HydrophobicContact CD1-CD2 3.46Å; L432-L477 VanDerWaalsContact CD1-CD2 3.46Å; L432-L477 HydrophobicContact CD2-CD1 3.84Å; L432-L477 HydrophobicContact CD2-CD2 4.33Å
433K92.1Very high96Very high116 Ų11646.1 Ų46.150%0.50424%0.236SC..THydrogen-bonded Turntrans-57.2-33.6-179-68-176.6179.4177.90113H379 E431H379-K433 PolarHBondContact CD2-O 3.38Å; E431-K433 PolarHBondContact O-N 2.85Å
434H95.2Very high96.1Very high49 Ų4945.3 Ų45.323%0.22723%0.232CC..THydrogen-bonded Turntrans-116.630.5-177.7-63.7-84.9000111.8D377 L432 N436 N437 T438 Q442D377-H434 WeakPolarHBondContact CB-O 3.44Å; D377-H434 WeakPolarHBondContact OD1-CA 3.36Å; D377-H434 IonicContact OD1-CG 2.65Å; D377-H434 IonicContact OD1-ND1 2.73Å; D377-H434 PolarHBondContact OD1-ND1 3.15Å; D377-H434 IonicContact OD2-ND1 3.68Å; L432-H434 PolarHBondContact O-N 3.28Å; H434-N436 PolarHBondContact O-N 3.3Å; H434-N437 HydrophobicContact CB-CB 4.05Å; H434-N437 WeakPolarHBondContact O-CA 3.23Å; H434-N437 VanDerWaalsContact O-CB 3.27Å; H434-N437 WeakPolarHBondContact O-CB 3.4Å; H434-N437 PolarHBondContact O-N 3.44Å; H434-T438 PolarHBondContact N-OG1 3.19Å; H434-T438 VanDerWaalsContact N-OG1 3.14Å; H434-T438 PolarHBondContact O-N 3.41Å; H434-Q442 PolarHBondContact CD2-NE2 3.41Å; H434-Q442 VanDerWaalsContact CD2-NE2 3.28Å; H434-Q442 PolarHBondContact NE2-NE2 3.01Å
435G95.8Very high96.1Very high3 Ų347.2 Ų47.23%0.03124%0.239CC..G310 helixtrans52.2-132.4-177.400000112.3E375 I376 L432 N437 T438E375-G435 WeakPolarHBondContact O-CA 3.45Å; I376-G435 WeakPolarHBondContact O-CA 3.48Å; L432-G435 PolarHBondContact O-N 2.85Å; G435-N437 PolarHBondContact O-N 3.18Å; G435-T438 PolarHBondContact N-OG1 3.34Å; G435-T438 WeakPolarHBondContact O-CB 3.43Å; G435-T438 PolarHBondContact O-N 3.24Å; G435-T438 PolarHBondContact O-OG1 2.97Å
436N95.3Very high96.1Very high0 Ų046.2 Ų46.20%023%0.229CC..G310 helixtrans-72.5-8.1175.876.716.7000114.9N343 N345 E375 H434 T438 L477 Q478N343-N436 PolarHBondContact OD1-ND2 3.44Å; N343-N436 PolarHBondContact OD1-OD1 3.12Å; N345-N436 PolarHBondContact ND2-OD1 3.49Å; E375-N436 HydrophobicContact CB-CB 3.91Å; E375-N436 HydrophobicContact CG-CB 4.21Å; E375-N436 PolarHBondContact O-N 2.9Å; E375-N436 PolarHBondContact OE2-ND2 2.79Å; H434-N436 PolarHBondContact O-N 3.3Å; N436-T438 VanDerWaalsContact C-N 3.29Å; N436-L477 HydrophobicContact CB-CB 3.72Å; N436-L477 HydrophobicContact CB-CD2 4.19Å; N436-Q478 HydrophobicContact CB-CG 4.46Å; N436-Q478 WeakPolarHBondContact O-CG 3.46Å
437N95.1Very high95.9Very high15 Ų1544.4 Ų44.48%0.0822%0.216CC..G310 helixtrans-81.4-8.9171.1-79.5-30000113.2D377 H434 G435 T439 K475 Q478D377-N437 HydrophobicContact CB-CB 4.34Å; D377-N437 WeakPolarHBondContact OD2-CB 3.28Å; D377-N437 PolarHBondContact OD2-ND2 3.06Å; H434-N437 HydrophobicContact CB-CB 4.05Å; H434-N437 WeakPolarHBondContact O-CA 3.23Å; H434-N437 VanDerWaalsContact O-CB 3.27Å; H434-N437 WeakPolarHBondContact O-CB 3.4Å; H434-N437 PolarHBondContact O-N 3.44Å; G435-N437 PolarHBondContact O-N 3.18Å; N437-T439 PolarHBondContact O-N 3.31Å; N437-K475 HydrophobicContact CB-CD 4.48Å; N437-K475 PolarHBondContact OD1-NZ 2.98Å; N437-Q478 PolarHBondContact OD1-NE2 3.3Å
438T97Very high95.5Very high1 Ų149.4 Ų49.41%0.00623%0.234CC..  trans-57.5126.2178.2-50.30000110.5L432 H434 G435 N436 Q442 I443 P476L432-T438 HydrophobicContact CD2-CG2 4.11Å; H434-T438 PolarHBondContact N-OG1 3.19Å; H434-T438 VanDerWaalsContact N-OG1 3.14Å; H434-T438 PolarHBondContact O-N 3.41Å; G435-T438 PolarHBondContact N-OG1 3.34Å; G435-T438 WeakPolarHBondContact O-CB 3.43Å; G435-T438 PolarHBondContact O-N 3.24Å; G435-T438 PolarHBondContact O-OG1 2.97Å; N436-T438 VanDerWaalsContact C-N 3.29Å; T438-Q442 HydrophobicContact CG2-CB 3.79Å; T438-I443 HydrophobicContact CG2-CG1 3.94Å; T438-P476 VanDerWaalsContact O-CD 3.28Å; T438-P476 WeakPolarHBondContact O-CD 3.49Å
439T96.9Very high95.4Very high28 Ų2844.8 Ų44.817%0.17222%0.218CC..  trans-85.6164.3-176.3680000112.1N437 Q441 Q442 I443 H474N437-T439 PolarHBondContact O-N 3.31Å; T439-Q441 VanDerWaalsContact C-N 3.25Å; T439-Q441 PolarHBondContact O-N 3.18Å; T439-Q442 PolarHBondContact O-N 3.42Å; T439-Q442 WeakPolarHBondContact OG1-CG 3.18Å; T439-Q442 PolarHBondContact OG1-N 3.26Å; T439-Q442 PolarHBondContact OG1-OE1 3Å; T439-I443 WeakPolarHBondContact O-CG1 3.34Å; T439-I443 PolarHBondContact O-N 2.97Å; T439-H474 CarbonylContact C-O 3.58Å; T439-H474 VanDerWaalsContact CA-O 3.23Å; T439-H474 WeakPolarHBondContact CA-O 3.36Å
440V93.6Very high95.2Very high1 Ų144.5 Ų44.51%0.00622%0.216CC..Hα-helixtrans-54.5-43.6171.7167.80000111.3Q442 I443 M444 I459 L470 K471 P472 H474 P476V440-Q442 PolarHBondContact O-N 3.31Å; V440-I443 PolarHBondContact O-N 3.44Å; V440-M444 HydrophobicContact CG1-CG 4.25Å; V440-M444 VanDerWaalsContact O-CG 3.27Å; V440-M444 WeakPolarHBondContact O-CG 3.35Å; V440-M444 PolarHBondContact O-N 3.27Å; V440-I459 HydrophobicContact CG1-CB 3.86Å; V440-I459 HydrophobicContact CG1-CG1 3.9Å; V440-I459 HydrophobicContact CG2-CB 4.21Å; V440-L470 HydrophobicContact CG2-CB 3.63Å; V440-L470 HydrophobicContact CG2-CD1 4.09Å; V440-K471 WeakPolarHBondContact CB-O 3.29Å; V440-K471 VanDerWaalsContact CG2-O 3.29Å; V440-K471 WeakPolarHBondContact CG2-O 3.47Å; V440-P472 PolarHBondContact N-O 3.49Å; V440-H474 HydrophobicContact CG2-CB 4.3Å; V440-H474 PolarHBondContact N-O 3.39Å; V440-P476 HydrophobicContact CG2-CG 3.49Å; V440-P476 VanDerWaalsContact CG2-CG 3.49Å
441Q95Very high95Very high110 Ų11052.6 Ų52.651%0.51425%0.254SS..Hα-helixtrans-59.6-47.2179.2-178.9176.9-17.100111.7T439 I443 M444 E445 P472T439-Q441 VanDerWaalsContact C-N 3.25Å; T439-Q441 PolarHBondContact O-N 3.18Å; Q441-I443 VanDerWaalsContact C-N 3.33Å; Q441-I443 PolarHBondContact O-N 3.28Å; Q441-M444 PolarHBondContact O-N 3.47Å; Q441-M444 VanDerWaalsContact O-N 3.15Å; Q441-E445 WeakPolarHBondContact CG-OE1 3.45Å; Q441-E445 PolarHBondContact NE2-OE1 3.43Å; Q441-E445 WeakPolarHBondContact O-CG 3.47Å; Q441-E445 PolarHBondContact O-N 2.87Å; Q441-P472 HydrophobicContact CB-CB 4.35Å; Q441-P472 PolarHBondContact N-O 3.44Å
442Q95.8Very high94.8Very high57 Ų5753.2 Ų53.227%0.26626%0.257SS..Hα-helixtrans-64-37.4178.3-69.6169.4-27.100112.1H434 T438 T439 V440 E445 G446H434-Q442 PolarHBondContact CD2-NE2 3.41Å; H434-Q442 VanDerWaalsContact CD2-NE2 3.28Å; H434-Q442 PolarHBondContact NE2-NE2 3.01Å; T438-Q442 HydrophobicContact CG2-CB 3.79Å; T439-Q442 PolarHBondContact O-N 3.42Å; T439-Q442 WeakPolarHBondContact OG1-CG 3.18Å; T439-Q442 PolarHBondContact OG1-N 3.26Å; T439-Q442 PolarHBondContact OG1-OE1 3Å; V440-Q442 PolarHBondContact O-N 3.31Å; Q442-E445 PolarHBondContact O-N 2.89Å; Q442-G446 PolarHBondContact O-N 3.39Å
443I97.4Very high94.7Very high0 Ų052.9 Ų52.90%026%0.255CS..Hα-helixtrans-63-45.3172.9-69.9176000110.5V418 I420 V430 T438 T439 V440 Q441 E445 G446 M447 I459 P476V418-I443 HydrophobicContact CG1-CD1 4.37Å; I420-I443 HydrophobicContact CD1-CG2 3.76Å; I420-I443 HydrophobicContact CG1-CG2 3.87Å; V430-I443 HydrophobicContact CG1-CG2 4.24Å; V430-I443 HydrophobicContact CG2-CG2 4.47Å; T438-I443 HydrophobicContact CG2-CG1 3.94Å; T439-I443 WeakPolarHBondContact O-CG1 3.34Å; T439-I443 PolarHBondContact O-N 2.97Å; V440-I443 PolarHBondContact O-N 3.44Å; Q441-I443 VanDerWaalsContact C-N 3.33Å; Q441-I443 PolarHBondContact O-N 3.28Å; I443-E445 VanDerWaalsContact C-N 3.32Å; I443-E445 PolarHBondContact O-N 3.28Å; I443-G446 CarbonylContact O-C 3.54Å; I443-G446 WeakPolarHBondContact O-CA 3.46Å; I443-G446 PolarHBondContact O-N 3.16Å; I443-M447 WeakPolarHBondContact O-CG 3.4Å; I443-M447 PolarHBondContact O-N 3.07Å; I443-I459 HydrophobicContact CG2-CD1 3.94Å; I443-I459 HydrophobicContact CG2-CG1 4.04Å; I443-P476 HydrophobicContact CD1-CB 4.35Å; I443-P476 HydrophobicContact CD1-CG 3.87Å
444M97.4Very high94.8Very high9 Ų949.9 Ų49.94%0.04424%0.243CC..Hα-helixtrans-62.5-38.5179.5-69.4-68.1-61.600112V440 Q441 G446 M447 Q454 F457 I459 L504V440-M444 HydrophobicContact CG1-CG 4.25Å; V440-M444 VanDerWaalsContact O-CG 3.27Å; V440-M444 WeakPolarHBondContact O-CG 3.35Å; V440-M444 PolarHBondContact O-N 3.27Å; Q441-M444 PolarHBondContact O-N 3.47Å; Q441-M444 VanDerWaalsContact O-N 3.15Å; M444-G446 VanDerWaalsContact C-N 3.3Å; M444-G446 PolarHBondContact O-N 2.89Å; M444-M447 WeakPolarHBondContact O-CB 3.46Å; M444-M447 PolarHBondContact O-N 3.49Å; M444-Q454 HydrophobicContact CE-CG 3.71Å; M444-F457 HydrophobicContact CE-CB 4.47Å; M444-F457 WeakPolarHBondContact CE-O 3.44Å; M444-I459 HydrophobicContact CG-CD1 4.46Å; M444-I459 HydrophobicContact CG-CG1 4.03Å; M444-I459 HydrophobicContact SD-CD1 3.63Å; M444-I459 HydrophobicContact SD-CG1 3.75Å; M444-L504 HydrophobicContact CE-CD1 3.76Å; M444-L504 HydrophobicContact SD-CD1 3.63Å
445E95.4Very high94.8Very high108 Ų10852.7 Ų52.751%0.50526%0.256SS..Hα-helixtrans-61.3-39.2171-69.4164.3-168.500111.5Q441 Q442 I443 M447Q441-E445 WeakPolarHBondContact CG-OE1 3.45Å; Q441-E445 PolarHBondContact NE2-OE1 3.43Å; Q441-E445 WeakPolarHBondContact O-CG 3.47Å; Q441-E445 PolarHBondContact O-N 2.87Å; Q442-E445 PolarHBondContact O-N 2.89Å; I443-E445 VanDerWaalsContact C-N 3.32Å; I443-E445 PolarHBondContact O-N 3.28Å; E445-M447 VanDerWaalsContact C-N 3.28Å; E445-M447 PolarHBondContact O-N 2.88Å
446G94.9Very high94.9Very high32 Ų3253 Ų5333%0.3326%0.256SS..Hα-helixtrans-71.7-12.817600000115.4Q442 I443 M444 R448Q442-G446 PolarHBondContact O-N 3.39Å; I443-G446 CarbonylContact O-C 3.54Å; I443-G446 WeakPolarHBondContact O-CA 3.46Å; I443-G446 PolarHBondContact O-N 3.16Å; M444-G446 VanDerWaalsContact C-N 3.3Å; M444-G446 PolarHBondContact O-N 2.89Å; G446-R448 PolarHBondContact O-N 3.01Å
447M94.2Very high95.1Very high5 Ų553.4 Ų53.43%0.02526%0.258CS..THydrogen-bonded Turntrans-72.3-12.9178.7-72-68.9-76.500113.5I420 R428 V430 I443 M444 E445 L449 L504I420-M447 HydrophobicContact CB-CE 4.14Å; I420-M447 HydrophobicContact CB-SD 3.8Å; I420-M447 HydrophobicContact CG1-SD 3.91Å; I420-M447 HydrophobicContact CG2-CE 3.85Å; I420-M447 HydrophobicContact CG2-SD 3.94Å; R428-M447 HydrophobicContact CB-CE 4.24Å; R428-M447 HydrophobicContact CB-SD 4.2Å; R428-M447 VanDerWaalsContact CD-O 3.27Å; R428-M447 WeakPolarHBondContact CD-O 3.39Å; R428-M447 HydrophobicContact CG-SD 4.36Å; R428-M447 PolarHBondContact NE-O 3.21Å; V430-M447 HydrophobicContact CG2-CG 4.14Å; V430-M447 HydrophobicContact CG2-SD 3.37Å; V430-M447 WeakPolarHBondContact CG2-SD 3.27Å; I443-M447 WeakPolarHBondContact O-CG 3.4Å; I443-M447 PolarHBondContact O-N 3.07Å; M444-M447 WeakPolarHBondContact O-CB 3.46Å; M444-M447 PolarHBondContact O-N 3.49Å; E445-M447 VanDerWaalsContact C-N 3.28Å; E445-M447 PolarHBondContact O-N 2.88Å; M447-L449 VanDerWaalsContact C-N 3.26Å; M447-L449 HydrophobicContact CB-CD1 4.12Å; M447-L449 HydrophobicContact CB-CG 3.91Å; M447-L449 PolarHBondContact O-N 3.05Å; M447-L504 HydrophobicContact CE-CB 4.13Å; M447-L504 HydrophobicContact CE-CD1 4.46Å; M447-L504 HydrophobicContact CE-CD2 3.85Å; M447-L504 HydrophobicContact CE-CG 4.37Å
448R89.8Confident95.2Very high218 Ų21853.1 Ų53.182%0.82326%0.257SS*.THydrogen-bonded Turntrans55.538.7-177.1-55-177.5-179.7-176.6-1.7113.1G446G446-R448 PolarHBondContact O-N 3.01Å
449L93.9Very high95.3Very high24 Ų2453 Ų5313%0.12626%0.256CS..  trans-86.1148170.5-57.8176.3000108.8M447 T453 Q454 L504 L522M447-L449 VanDerWaalsContact C-N 3.26Å; M447-L449 HydrophobicContact CB-CD1 4.12Å; M447-L449 HydrophobicContact CB-CG 3.91Å; M447-L449 PolarHBondContact O-N 3.05Å; L449-T453 HydrophobicContact CB-CG2 4.47Å; L449-T453 HydrophobicContact CD2-CG2 4.28Å; L449-Q454 HydrophobicContact CB-CB 4.34Å; L449-L504 HydrophobicContact CD1-CD1 4.35Å; L449-L504 HydrophobicContact CD1-CD2 3.93Å; L449-L522 HydrophobicContact CD2-CD2 3.87Å
450S94.8Very high95.4Very high56 Ų5652.1 Ų52.139%0.39225%0.25SC..  trans-65.3157.2168.975.30000109.4E452 T453 Q454S450-E452 PolarHBondContact O-N 2.97Å; S450-T453 PolarHBondContact O-N 3.23Å; S450-T453 VanDerWaalsContact O-N 3.16Å; S450-T453 PolarHBondContact OG-N 3.32Å; S450-T453 VanDerWaalsContact OG-N 3.1Å; S450-T453 PolarHBondContact OG-OG1 3.19Å; S450-Q454 VanDerWaalsContact O-CB 3.28Å; S450-Q454 WeakPolarHBondContact O-CB 3.46Å; S450-Q454 PolarHBondContact O-N 3.37Å
451Q92Very high95.6Very high172 Ų17252.1 Ų52.180%0.80425%0.25SC*.Hα-helixtrans-58.8-35.2176-70.5-176.5-10.500111.8Q454 Q455Q451-Q454 PolarHBondContact O-N 2.93Å; Q451-Q455 PolarHBondContact O-N 3.23Å
452E92Very high95.7Very high105 Ų10547 Ų4749%0.49123%0.226SC..Hα-helixtrans-63.2-43.6176.2-172.5179.7-179.700112S450 Q455 Y456S450-E452 PolarHBondContact O-N 2.97Å; E452-Q455 WeakPolarHBondContact O-CG 3.11Å; E452-Q455 PolarHBondContact O-NE2 3.19Å; E452-Y456 WeakPolarHBondContact O-CD2 3.47Å; E452-Y456 WeakPolarHBondContact O-CE2 3.43Å
453T95.5Very high95.6Very high2 Ų244.9 Ų44.91%0.01222%0.217CC..Hα-helixtrans-70.9-39.3175.6-48.80000111.4L449 S450 Q455 Y456 F457 D520 L522 A523 I526L449-T453 HydrophobicContact CB-CG2 4.47Å; L449-T453 HydrophobicContact CD2-CG2 4.28Å; S450-T453 PolarHBondContact O-N 3.23Å; S450-T453 VanDerWaalsContact O-N 3.16Å; S450-T453 PolarHBondContact OG-N 3.32Å; S450-T453 VanDerWaalsContact OG-N 3.1Å; S450-T453 PolarHBondContact OG-OG1 3.19Å; T453-Q455 VanDerWaalsContact C-N 3.3Å; T453-Q455 PolarHBondContact O-N 3.39Å; T453-Y456 WeakPolarHBondContact O-CD2 3.4Å; T453-Y456 PolarHBondContact O-N 3.38Å; T453-F457 HydrophobicContact CG2-CD2 4.33Å; T453-F457 HydrophobicContact CG2-CE2 3.93Å; T453-F457 WeakPolarHBondContact O-CD2 3.37Å; T453-F457 WeakPolarHBondContact O-CE2 3.4Å; T453-D520 WeakPolarHBondContact CB-OD2 3.16Å; T453-D520 PolarHBondContact OG1-OD2 3.05Å; T453-L522 HydrophobicContact CG2-CD2 4.28Å; T453-L522 HydrophobicContact CG2-CG 4.2Å; T453-A523 HydrophobicContact CG2-CB 4.09Å; T453-I526 HydrophobicContact CG2-CD1 4.42Å
454Q94.2Very high95.3Very high53 Ų5351.8 Ų51.825%0.24825%0.25CC..Hα-helixtrans-64.8-31.4-170-167.3178.23.900113.2M444 L449 S450 Q451 Y456 F457M444-Q454 HydrophobicContact CE-CG 3.71Å; L449-Q454 HydrophobicContact CB-CB 4.34Å; S450-Q454 VanDerWaalsContact O-CB 3.28Å; S450-Q454 WeakPolarHBondContact O-CB 3.46Å; S450-Q454 PolarHBondContact O-N 3.37Å; Q451-Q454 PolarHBondContact O-N 2.93Å; Q454-Y456 PolarHBondContact O-N 3.07Å; Q454-Y456 VanDerWaalsContact O-N 3.12Å; Q454-F457 PolarHBondContact O-N 3.21Å
455Q95.2Very high95.1Very high107 Ų10754.4 Ų54.450%0.526%0.264SS..THydrogen-bonded Turntrans-61.9-20.4-176.875.4-170.7-51.200114.4Q451 E452 T453Q451-Q455 PolarHBondContact O-N 3.23Å; E452-Q455 WeakPolarHBondContact O-CG 3.11Å; E452-Q455 PolarHBondContact O-NE2 3.19Å; T453-Q455 VanDerWaalsContact C-N 3.3Å; T453-Q455 PolarHBondContact O-N 3.39Å
456Y97.8Very high94.9Very high11 Ų1149.5 Ų49.54%0.04324%0.241CC..THydrogen-bonded Turntrans-88.3-15.7-176.4-55.8-65000113.6E452 T453 Q454 D507 L510 V514 V518 A523E452-Y456 WeakPolarHBondContact O-CD2 3.47Å; E452-Y456 WeakPolarHBondContact O-CE2 3.43Å; T453-Y456 WeakPolarHBondContact O-CD2 3.4Å; T453-Y456 PolarHBondContact O-N 3.38Å; Q454-Y456 PolarHBondContact O-N 3.07Å; Q454-Y456 VanDerWaalsContact O-N 3.12Å; Y456-D507 PolarHBondContact O-N 3.02Å; Y456-L510 HydrophobicContact CD1-CD1 3.64Å; Y456-L510 HydrophobicContact CD1-CD2 3.71Å; Y456-L510 HydrophobicContact CD1-CG 4.33Å; Y456-L510 HydrophobicContact CE1-CD1 4.22Å; Y456-L510 HydrophobicContact CG-CD2 4.36Å; Y456-V514 HydrophobicContact CE1-CG1 4.14Å; Y456-V518 HydrophobicContact CD2-CG2 4.4Å; Y456-V518 HydrophobicContact CE2-CG2 3.72Å; Y456-A523 HydrophobicContact CD2-CB 3.74Å; Y456-A523 HydrophobicContact CE2-CB 3.98Å
457F98.6Very high95Very high7 Ų750.2 Ų50.23%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-130.5157.8-166.1-50.5-69.4000112.7M444 T453 Q454 L504 R505 A523 I526 L527M444-F457 HydrophobicContact CE-CB 4.47Å; M444-F457 WeakPolarHBondContact CE-O 3.44Å; T453-F457 HydrophobicContact CG2-CD2 4.33Å; T453-F457 HydrophobicContact CG2-CE2 3.93Å; T453-F457 WeakPolarHBondContact O-CD2 3.37Å; T453-F457 WeakPolarHBondContact O-CE2 3.4Å; Q454-F457 PolarHBondContact O-N 3.21Å; F457-L504 HydrophobicContact CB-CD1 3.59Å; F457-L504 HydrophobicContact CB-CG 3.96Å; F457-L504 HydrophobicContact CG-CD1 4.45Å; F457-L504 HydrophobicContact CG-CG 4.38Å; F457-R505 VanDerWaalsContact CA-O 3.27Å; F457-R505 WeakPolarHBondContact CA-O 3.45Å; F457-R505 WeakPolarHBondContact CB-O 3.25Å; F457-A523 HydrophobicContact CE2-CB 4.13Å; F457-A523 HydrophobicContact CZ-CB 4.32Å; F457-I526 HydrophobicContact CD1-CG2 3.83Å; F457-I526 HydrophobicContact CD2-CD1 4.41Å; F457-I526 HydrophobicContact CE1-CB 3.86Å; F457-I526 HydrophobicContact CE1-CG2 3.37Å; F457-I526 HydrophobicContact CE2-CB 4.16Å; F457-I526 HydrophobicContact CE2-CD1 3.95Å; F457-I526 HydrophobicContact CE2-CG2 4.23Å; F457-I526 HydrophobicContact CG-CG2 4.43Å; F457-I526 HydrophobicContact CZ-CB 3.57Å; F457-I526 HydrophobicContact CZ-CD1 4.25Å; F457-I526 HydrophobicContact CZ-CG2 3.61Å; F457-L527 HydrophobicContact CE1-CD2 3.79Å; F457-L527 HydrophobicContact CE1-CG 3.81Å; F457-L527 HydrophobicContact CZ-CD2 4.3Å; F457-L527 HydrophobicContact CZ-CG 3.84Å
458T98.4Very high95Very high9 Ų951.1 Ų51.16%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-149.8177.9169.7-162.60000110.6Q469 R505 D507T458-Q469 HydrophobicContact CG2-CG 3.5Å; T458-Q469 VanDerWaalsContact CG2-CG 3.5Å; T458-R505 PolarHBondContact N-O 2.81Å; T458-R505 PolarHBondContact O-N 3.01Å; T458-R505 VanDerWaalsContact O-N 3.09Å; T458-D507 HydrophobicContact CG2-CB 4.39Å
459I98.4Very high95.4Very high0 Ų043 Ų430%021%0.212CC..EExtended strand (participates in β ladder)trans-85.7132.2179.1-55.7-58.5000110.3I420 V440 I443 M444 L470 L502 F503 L504I420-I459 HydrophobicContact CD1-CD1 4.47Å; I420-I459 HydrophobicContact CG2-CD1 3.72Å; V440-I459 HydrophobicContact CG1-CB 3.86Å; V440-I459 HydrophobicContact CG1-CG1 3.9Å; V440-I459 HydrophobicContact CG2-CB 4.21Å; I443-I459 HydrophobicContact CG2-CD1 3.94Å; I443-I459 HydrophobicContact CG2-CG1 4.04Å; M444-I459 HydrophobicContact CG-CD1 4.46Å; M444-I459 HydrophobicContact CG-CG1 4.03Å; M444-I459 HydrophobicContact SD-CD1 3.63Å; M444-I459 HydrophobicContact SD-CG1 3.75Å; I459-L470 HydrophobicContact CG2-CD1 4.29Å; I459-L470 WeakPolarHBondContact O-CB 3.4Å; I459-L470 PolarHBondContact O-N 3Å; I459-L502 HydrophobicContact CG2-CB 4.32Å; I459-L502 HydrophobicContact CG2-CD2 4.44Å; I459-F503 CarbonylContact C-O 3.55Å; I459-F503 WeakPolarHBondContact CA-O 3.42Å; I459-L504 HydrophobicContact CD1-CD1 4.36Å
460W98.6Very high95.1Very high9 Ų942.3 Ų42.33%0.03421%0.208CC..EExtended strand (participates in β ladder)trans-115.1149.6171.7-69.760.3000109.4H467 L468 Q469 L502 F503 R505 R506 V508 A634W460-H467 HydrophobicContact CE3-CB 4.36Å; W460-H467 HydrophobicContact CZ3-CB 4.47Å; W460-L468 VanDerWaalsContact CA-O 3.3Å; W460-L468 WeakPolarHBondContact CA-O 3.43Å; W460-L468 VanDerWaalsContact CE3-C 3.48Å; W460-Q469 HydrophobicContact CD2-CB 3.76Å; W460-Q469 HydrophobicContact CD2-CG 4.27Å; W460-Q469 HydrophobicContact CE3-CB 4.05Å; W460-Q469 VanDerWaalsContact CE3-N 3.33Å; W460-Q469 HydrophobicContact CG-CB 4.36Å; W460-Q469 HydrophobicContact CH2-CB 4.01Å; W460-Q469 HydrophobicContact CZ2-CB 3.72Å; W460-Q469 HydrophobicContact CZ2-CG 4.1Å; W460-Q469 HydrophobicContact CZ3-CB 4.16Å; W460-L502 CarbonylContact O-C 3.55Å; W460-L502 WeakPolarHBondContact O-CA 3.47Å; W460-F503 PolarHBondContact N-O 3.3Å; W460-F503 PolarHBondContact O-N 2.91Å; W460-R505 HydrophobicContact CB-CG 4.39Å; W460-R505 HydrophobicContact CD2-CB 4.38Å; W460-R505 HydrophobicContact CG-CB 3.99Å; W460-R505 HydrophobicContact CG-CG 4.23Å; W460-R506 PolarHBondContact NE1-O 2.91Å; W460-V508 HydrophobicContact CZ2-CB 4.32Å; W460-A634 HydrophobicContact CH2-CB 3.94Å; W460-A634 HydrophobicContact CZ3-CB 4.45Å
461I97.8Very high94.9Very high1 Ų144.4 Ų44.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-103.5124.6163.8-174.5167.1000107.3L468 L470 H479 L480 W483 P500 L502I461-L468 HydrophobicContact CG2-CB 3.86Å; I461-L468 PolarHBondContact N-O 3.08Å; I461-L468 PolarHBondContact O-N 3.24Å; I461-L470 HydrophobicContact CB-CD1 4.29Å; I461-L470 HydrophobicContact CB-CD2 4.49Å; I461-L470 HydrophobicContact CB-CG 4.47Å; I461-L470 HydrophobicContact CG2-CD1 4.41Å; I461-L470 HydrophobicContact CG2-CD2 3.74Å; I461-L470 HydrophobicContact CG2-CG 4.14Å; I461-H479 HydrophobicContact CD1-CB 3.84Å; I461-L480 HydrophobicContact CD1-CD2 3.72Å; I461-L480 HydrophobicContact CD1-CG 4.15Å; I461-L480 HydrophobicContact CG1-CD2 4.17Å; I461-W483 HydrophobicContact CB-CZ3 4.26Å; I461-W483 HydrophobicContact CD1-CD2 4.33Å; I461-W483 HydrophobicContact CD1-CE3 3.41Å; I461-W483 VanDerWaalsContact CD1-CE3 3.41Å; I461-W483 HydrophobicContact CD1-CH2 4.47Å; I461-W483 HydrophobicContact CD1-CZ3 3.5Å; I461-W483 HydrophobicContact CG1-CE3 3.94Å; I461-W483 HydrophobicContact CG1-CH2 4.11Å; I461-W483 HydrophobicContact CG1-CZ3 3.58Å; I461-W483 HydrophobicContact CG2-CH2 4.26Å; I461-W483 HydrophobicContact CG2-CZ3 3.71Å; I461-P500 HydrophobicContact CD1-CB 4.1Å; I461-P500 HydrophobicContact CG1-CB 3.94Å; I461-L502 HydrophobicContact CB-CD2 4.11Å; I461-L502 HydrophobicContact CG1-CD2 4.22Å
462C96.8Very high94.7Very high3 Ų338.8 Ų38.82%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-134.9136.7-175.5-550000110.3L466 H467 P500 Q501 F503C462-L466 WeakPolarHBondContact CA-O 2.98Å; C462-H467 HydrophobicContact CB-CB 4.34Å; C462-H467 PolarHBondContact SG-ND1 3.48Å; C462-H467 VanDerWaalsContact SG-ND1 3.42Å; C462-P500 CarbonylContact O-C 3.6Å; C462-P500 WeakPolarHBondContact O-CA 3.31Å; C462-Q501 PolarHBondContact N-O 3.35Å; C462-Q501 PolarHBondContact O-N 2.96Å; C462-F503 HydrophobicContact CB-CD2 3.59Å; C462-F503 HydrophobicContact CB-CE2 3.69Å
463S95.3Very high94.6Very high11 Ų1140.8 Ų40.88%0.07719%0.193CC..  trans-110.6-164165.758.20000108.4L466 H467 W483 E498S463-L466 PolarHBondContact N-O 3.37Å; S463-L466 WeakPolarHBondContact OG-CB 3.44Å; S463-L466 PolarHBondContact OG-N 3.5Å; S463-L466 VanDerWaalsContact OG-N 3.09Å; S463-L466 PolarHBondContact OG-O 3.19Å; S463-H467 PolarHBondContact O-NE2 2.85Å; S463-W483 WeakPolarHBondContact OG-CZ2 3.42Å; S463-E498 WeakPolarHBondContact CB-OE2 3.42Å; S463-E498 PolarHBondContact OG-OE2 3.01Å
464E91.3Very high94.4Very high145 Ų14542.9 Ų42.968%0.67820%0.202SC*.SBendtrans-67.7-39.2178.6-173.7175.4-177.400111.6E498E464-E498 PolarHBondContact N-OE2 3.36Å; E464-E498 VanDerWaalsContact N-OE2 3.11Å
465N91.6Very high94.5Very high65 Ų6543.2 Ų43.235%0.34820%0.203SC..SBendtrans-121.4-7.5-170.5-63.1-68.9000114.5L493 E498N465-L493 HydrophobicContact CB-CD1 3.59Å; N465-L493 HydrophobicContact CB-CD2 4.2Å; N465-E498 PolarHBondContact N-OE2 2.9Å; N465-E498 PolarHBondContact ND2-OE1 3.39Å
466L93Very high94.4Very high4 Ų438.1 Ų38.12%0.02118%0.179CC..  trans-128.6122.6177.5-178.964.6000111.7C462 S463 L468 W483 I486 V487 T491C462-L466 WeakPolarHBondContact CA-O 2.98Å; S463-L466 PolarHBondContact N-O 3.37Å; S463-L466 WeakPolarHBondContact OG-CB 3.44Å; S463-L466 PolarHBondContact OG-N 3.5Å; S463-L466 VanDerWaalsContact OG-N 3.09Å; S463-L466 PolarHBondContact OG-O 3.19Å; L466-L468 HydrophobicContact CD1-CD2 4.02Å; L466-L468 HydrophobicContact CD1-CG 4.19Å; L466-L468 HydrophobicContact CD2-CD1 4.24Å; L466-L468 HydrophobicContact CG-CD1 4.35Å; L466-L468 HydrophobicContact CG-CG 4.17Å; L466-W483 HydrophobicContact CB-CH2 4.39Å; L466-W483 HydrophobicContact CB-CZ2 4.13Å; L466-W483 HydrophobicContact CD2-CH2 3.8Å; L466-W483 HydrophobicContact CD2-CZ2 3.91Å; L466-W483 HydrophobicContact CG-CH2 4.01Å; L466-W483 HydrophobicContact CG-CZ2 4.19Å; L466-I486 HydrophobicContact CD2-CG2 4.22Å; L466-V487 HydrophobicContact CD2-CG2 4.27Å; L466-T491 HydrophobicContact CB-CG2 4.5Å; L466-T491 HydrophobicContact CD1-CG2 4.1Å; L466-T491 HydrophobicContact CD2-CG2 3.89Å; L466-T491 HydrophobicContact CG-CG2 4.39Å
467H95.3Very high94.3Very high47 Ų4738.5 Ų38.522%0.21818%0.182CC..EExtended strand (participates in β ladder)trans-127.2120.6-177.9-62.8-132.8000109.3W460 C462 S463 R505W460-H467 HydrophobicContact CE3-CB 4.36Å; W460-H467 HydrophobicContact CZ3-CB 4.47Å; C462-H467 HydrophobicContact CB-CB 4.34Å; C462-H467 PolarHBondContact SG-ND1 3.48Å; C462-H467 VanDerWaalsContact SG-ND1 3.42Å; S463-H467 PolarHBondContact O-NE2 2.85Å; H467-R505 PolarHBondContact ND1-NH1 3.04Å
468L94.9Very high94.1Very high24 Ų2440.8 Ų40.813%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-127.6126.1-176.1-60173.7000110.9W460 I461 L466 L470 W483 I486 L490 L713W460-L468 VanDerWaalsContact CA-O 3.3Å; W460-L468 WeakPolarHBondContact CA-O 3.43Å; W460-L468 VanDerWaalsContact CE3-C 3.48Å; I461-L468 HydrophobicContact CG2-CB 3.86Å; I461-L468 PolarHBondContact N-O 3.08Å; I461-L468 PolarHBondContact O-N 3.24Å; L466-L468 HydrophobicContact CD1-CD2 4.02Å; L466-L468 HydrophobicContact CD1-CG 4.19Å; L466-L468 HydrophobicContact CD2-CD1 4.24Å; L466-L468 HydrophobicContact CG-CD1 4.35Å; L466-L468 HydrophobicContact CG-CG 4.17Å; L468-L470 PolarHBondContact O-N 3.3Å; L468-W483 HydrophobicContact CD1-CH2 4.39Å; L468-W483 HydrophobicContact CD1-CZ3 4.29Å; L468-I486 HydrophobicContact CD1-CG2 3.88Å; L468-L490 HydrophobicContact CD1-CD1 3.76Å; L468-L490 HydrophobicContact CD2-CD1 4.35Å; L468-L713 HydrophobicContact CD2-CD1 4.02Å
469Q97.4Very high93.7Very high48 Ų4842.4 Ų42.422%0.22420%0.199CC..EExtended strand (participates in β ladder)trans-71.9126.6169.7-172.6169.9-54.100109.7T458 W460 D507 V508T458-Q469 HydrophobicContact CG2-CG 3.5Å; T458-Q469 VanDerWaalsContact CG2-CG 3.5Å; W460-Q469 HydrophobicContact CD2-CB 3.76Å; W460-Q469 HydrophobicContact CD2-CG 4.27Å; W460-Q469 HydrophobicContact CE3-CB 4.05Å; W460-Q469 VanDerWaalsContact CE3-N 3.33Å; W460-Q469 HydrophobicContact CG-CB 4.36Å; W460-Q469 HydrophobicContact CH2-CB 4.01Å; W460-Q469 HydrophobicContact CZ2-CB 3.72Å; W460-Q469 HydrophobicContact CZ2-CG 4.1Å; W460-Q469 HydrophobicContact CZ3-CB 4.16Å; Q469-D507 PolarHBondContact NE2-OD1 3.41Å; Q469-V508 VanDerWaalsContact OE1-CG1 3.31Å
470L89.2Confident93.6Very high9 Ų944.9 Ų44.95%0.04721%0.212CC..PPolyproline II helixtrans-87.5153.7176.8-59.7-179.4000110.8V440 I459 I461 L468 H474 P476V440-L470 HydrophobicContact CG2-CB 3.63Å; V440-L470 HydrophobicContact CG2-CD1 4.09Å; I459-L470 HydrophobicContact CG2-CD1 4.29Å; I459-L470 WeakPolarHBondContact O-CB 3.4Å; I459-L470 PolarHBondContact O-N 3Å; I461-L470 HydrophobicContact CB-CD1 4.29Å; I461-L470 HydrophobicContact CB-CD2 4.49Å; I461-L470 HydrophobicContact CB-CG 4.47Å; I461-L470 HydrophobicContact CG2-CD1 4.41Å; I461-L470 HydrophobicContact CG2-CD2 3.74Å; I461-L470 HydrophobicContact CG2-CG 4.14Å; L468-L470 PolarHBondContact O-N 3.3Å; L470-H474 HydrophobicContact CB-CB 4.26Å; L470-P476 HydrophobicContact CD1-CB 3.7Å; L470-P476 HydrophobicContact CD1-CG 3.69Å
471K90.5Very high93.2Very high100 Ų10048.6 Ų48.644%0.43523%0.227SC..PPolyproline II helixtrans-85.9156174.2-61.9-177.5-175.5168.20110.2V440 Y473 H474V440-K471 WeakPolarHBondContact CB-O 3.29Å; V440-K471 VanDerWaalsContact CG2-O 3.29Å; V440-K471 WeakPolarHBondContact CG2-O 3.47Å; K471-Y473 HydrophobicContact CB-CD1 4.28Å; K471-Y473 HydrophobicContact CB-CD2 4.46Å; K471-Y473 HydrophobicContact CB-CE1 4.01Å; K471-Y473 HydrophobicContact CB-CE2 4.17Å; K471-Y473 HydrophobicContact CD-CE1 3.85Å; K471-Y473 HydrophobicContact CD-CE2 3.84Å; K471-Y473 WeakPolarHBondContact CD-OH 3.12Å; K471-Y473 PolarHBondContact NZ-OH 3.23Å; K471-Y473 PolarHBondContact O-N 3.41Å; K471-H474 PolarHBondContact N-ND1 3.22Å; K471-H474 WeakPolarHBondContact O-CB 3.5Å; K471-H474 PolarHBondContact O-N 3.34Å
472P87.8Confident92.8Very high54 Ų5451.4 Ų51.435%0.35124%0.241SC..THydrogen-bonded Turntrans-53.6-33.3-178.3-2936.2000115V440 Q441V440-P472 PolarHBondContact N-O 3.49Å; Q441-P472 HydrophobicContact CB-CB 4.35Å; Q441-P472 PolarHBondContact N-O 3.44Å
473Y89.7Confident92.7Very high147 Ų14751.5 Ų51.558%0.57624%0.241SC*.THydrogen-bonded Turntrans-90.5-4.8179.855.7-103.2000114.6K471K471-Y473 HydrophobicContact CB-CD1 4.28Å; K471-Y473 HydrophobicContact CB-CD2 4.46Å; K471-Y473 HydrophobicContact CB-CE1 4.01Å; K471-Y473 HydrophobicContact CB-CE2 4.17Å; K471-Y473 HydrophobicContact CD-CE1 3.85Å; K471-Y473 HydrophobicContact CD-CE2 3.84Å; K471-Y473 WeakPolarHBondContact CD-OH 3.12Å; K471-Y473 PolarHBondContact NZ-OH 3.23Å; K471-Y473 PolarHBondContact O-N 3.41Å
474H90.5Very high92.6Very high46 Ų4655.1 Ų55.121%0.21326%0.263CS..  trans-67.9154.8174.4-72.9179.5000110.4T439 V440 L470 K471 P476 H479T439-H474 CarbonylContact C-O 3.58Å; T439-H474 VanDerWaalsContact CA-O 3.23Å; T439-H474 WeakPolarHBondContact CA-O 3.36Å; V440-H474 HydrophobicContact CG2-CB 4.3Å; V440-H474 PolarHBondContact N-O 3.39Å; L470-H474 HydrophobicContact CB-CB 4.26Å; K471-H474 PolarHBondContact N-ND1 3.22Å; K471-H474 WeakPolarHBondContact O-CB 3.5Å; K471-H474 PolarHBondContact O-N 3.34Å; H474-P476 WeakPolarHBondContact O-CD 3.48Å; H474-H479 AromaticContact CG-NE2 3.57Å; H474-H479 AromaticContact ND1-NE2 3.59Å
475K96.3Very high92.5Very high61 Ų6152.4 Ų52.427%0.26525%0.25SC..  trans-108.195.9179-65.1174.3170-1760108.6N437 L477 Q478 H479N437-K475 HydrophobicContact CB-CD 4.48Å; N437-K475 PolarHBondContact OD1-NZ 2.98Å; K475-L477 VanDerWaalsContact C-N 3.3Å; K475-L477 PolarHBondContact O-N 3.05Å; K475-Q478 HydrophobicContact CB-CB 4.16Å; K475-Q478 HydrophobicContact CB-CG 3.92Å; K475-Q478 HydrophobicContact CD-CG 4.45Å; K475-Q478 WeakPolarHBondContact O-CB 3.45Å; K475-Q478 PolarHBondContact O-N 3.5Å; K475-H479 PolarHBondContact O-CD2 3.49Å; K475-H479 PolarHBondContact O-N 3.18Å
476P93.7Very high92.4Very high0 Ų050.3 Ų50.30%024%0.239CC..Hα-helixtrans-61.2-36-166.2-29.641000114T438 V440 I443 L470 H474 Q478 H479 L480 L502T438-P476 VanDerWaalsContact O-CD 3.28Å; T438-P476 WeakPolarHBondContact O-CD 3.49Å; V440-P476 HydrophobicContact CG2-CG 3.49Å; V440-P476 VanDerWaalsContact CG2-CG 3.49Å; I443-P476 HydrophobicContact CD1-CB 4.35Å; I443-P476 HydrophobicContact CD1-CG 3.87Å; L470-P476 HydrophobicContact CD1-CB 3.7Å; L470-P476 HydrophobicContact CD1-CG 3.69Å; H474-P476 WeakPolarHBondContact O-CD 3.48Å; P476-Q478 VanDerWaalsContact C-N 3.3Å; P476-Q478 PolarHBondContact O-N 2.95Å; P476-H479 WeakPolarHBondContact O-CB 3.39Å; P476-H479 PolarHBondContact O-N 2.96Å; P476-H479 VanDerWaalsContact O-N 3.13Å; P476-L480 PolarHBondContact O-N 3.47Å; P476-L502 HydrophobicContact CB-CD1 3.61Å; P476-L502 HydrophobicContact CB-CD2 3.72Å; P476-L502 HydrophobicContact CB-CG 4.34Å
477L95.8Very high92.4Very high19 Ų1950.1 Ų50.110%0.09924%0.238CC..Hα-helixtrans-66.2-32.1177.7-83.771.9000112.6V418 L432 N436 K475 H479 L480 R481 L502V418-L477 HydrophobicContact CB-CD1 4.41Å; V418-L477 HydrophobicContact CG2-CD1 4.22Å; L432-L477 HydrophobicContact CD1-CD1 4.34Å; L432-L477 HydrophobicContact CD1-CD2 3.46Å; L432-L477 VanDerWaalsContact CD1-CD2 3.46Å; L432-L477 HydrophobicContact CD2-CD1 3.84Å; L432-L477 HydrophobicContact CD2-CD2 4.33Å; N436-L477 HydrophobicContact CB-CB 3.72Å; N436-L477 HydrophobicContact CB-CD2 4.19Å; K475-L477 VanDerWaalsContact C-N 3.3Å; K475-L477 PolarHBondContact O-N 3.05Å; L477-H479 VanDerWaalsContact C-N 3.33Å; L477-L480 HydrophobicContact CG-CD1 4.45Å; L477-L480 PolarHBondContact O-N 2.93Å; L477-R481 WeakPolarHBondContact O-CB 3.29Å; L477-R481 PolarHBondContact O-N 3.3Å; L477-L502 HydrophobicContact CD1-CD1 4.4Å
478Q94.1Very high92.3Very high55 Ų5551.1 Ų51.126%0.25725%0.247SC..Hα-helixtrans-67.3-37.6173.2-61.8-171.4-1.200111N436 N437 K475 P476 R481 I482N436-Q478 HydrophobicContact CB-CG 4.46Å; N436-Q478 WeakPolarHBondContact O-CG 3.46Å; N437-Q478 PolarHBondContact OD1-NE2 3.3Å; K475-Q478 HydrophobicContact CB-CB 4.16Å; K475-Q478 HydrophobicContact CB-CG 3.92Å; K475-Q478 HydrophobicContact CD-CG 4.45Å; K475-Q478 WeakPolarHBondContact O-CB 3.45Å; K475-Q478 PolarHBondContact O-N 3.5Å; P476-Q478 VanDerWaalsContact C-N 3.3Å; P476-Q478 PolarHBondContact O-N 2.95Å; Q478-R481 WeakPolarHBondContact O-CB 3.24Å; Q478-R481 PolarHBondContact O-N 3.44Å; Q478-I482 WeakPolarHBondContact O-CG1 3.46Å; Q478-I482 PolarHBondContact O-N 3.14Å; Q478-I482 VanDerWaalsContact O-N 3.12Å
479H90.7Very high91.9Very high42 Ų4255.4 Ų55.419%0.19427%0.27CS..Hα-helixtrans-66.3-38173.2-67.7-69.1000112.9I461 H474 K475 P476 L477 R481 I482 W483 I486I461-H479 HydrophobicContact CD1-CB 3.84Å; H474-H479 AromaticContact CG-NE2 3.57Å; H474-H479 AromaticContact ND1-NE2 3.59Å; K475-H479 PolarHBondContact O-CD2 3.49Å; K475-H479 PolarHBondContact O-N 3.18Å; P476-H479 WeakPolarHBondContact O-CB 3.39Å; P476-H479 PolarHBondContact O-N 2.96Å; P476-H479 VanDerWaalsContact O-N 3.13Å; L477-H479 VanDerWaalsContact C-N 3.33Å; H479-R481 VanDerWaalsContact C-N 3.26Å; H479-R481 PolarHBondContact O-N 2.93Å; H479-I482 CarbonylContact O-C 3.52Å; H479-I482 PolarHBondContact O-N 2.85Å; H479-W483 WeakPolarHBondContact O-CA 3.38Å; H479-W483 PolarHBondContact O-N 3.17Å; H479-W483 VanDerWaalsContact O-N 3.09Å; H479-I486 HydrophobicContact CB-CD1 4.04Å
480L94.4Very high91.6Very high52 Ų5254.7 Ų54.727%0.27227%0.267SS..Hα-helixtrans-58.7-41.7172.7-68.9173000111.1I461 P476 L477 W483 P500 L502I461-L480 HydrophobicContact CD1-CD2 3.72Å; I461-L480 HydrophobicContact CD1-CG 4.15Å; I461-L480 HydrophobicContact CG1-CD2 4.17Å; P476-L480 PolarHBondContact O-N 3.47Å; L477-L480 HydrophobicContact CG-CD1 4.45Å; L477-L480 PolarHBondContact O-N 2.93Å; L480-W483 VanDerWaalsContact O-CB 3.28Å; L480-W483 WeakPolarHBondContact O-CB 3.31Å; L480-W483 PolarHBondContact O-N 2.95Å; L480-P500 HydrophobicContact CD2-CB 3.71Å; L480-P500 HydrophobicContact CD2-CG 3.63Å; L480-L502 HydrophobicContact CD1-CD1 4.35Å; L480-L502 HydrophobicContact CD1-CD2 4.38Å; L480-L502 HydrophobicContact CD1-CG 4.19Å; L480-L502 HydrophobicContact CD2-CD2 4.27Å; L480-L502 HydrophobicContact CG-CD2 4.3Å
481R91.9Very high91.7Very high88 Ų8854.5 Ų54.533%0.33227%0.267SS..Hα-helixtrans-68.3-37.1-178.3179-178.5155.3112.211.5113.8K341 C342 N343 E375 L477 Q478 H479K341-R481 PolarHBondContact O-NH1 3.11Å; K341-R481 PolarHBondContact O-NH2 3.46Å; C342-R481 VanDerWaalsContact C-CZ 3.48Å; C342-R481 PolarHBondContact O-NH1 3.33Å; N343-R481 VanDerWaalsContact CA-CZ 3.48Å; N343-R481 VanDerWaalsContact N-CZ 3.29Å; N343-R481 VanDerWaalsContact N-NH1 3.18Å; E375-R481 IonicContact OE2-NH1 2.87Å; L477-R481 WeakPolarHBondContact O-CB 3.29Å; L477-R481 PolarHBondContact O-N 3.3Å; Q478-R481 WeakPolarHBondContact O-CB 3.24Å; Q478-R481 PolarHBondContact O-N 3.44Å; H479-R481 VanDerWaalsContact C-N 3.26Å; H479-R481 PolarHBondContact O-N 2.93Å
482I89.6Confident91.7Very high59 Ų5956 Ų5630%0.30328%0.284SS..THydrogen-bonded Turntrans-97.419.2176.467.3164.6000112.6Q478 H479 T484 E485 I486Q478-I482 WeakPolarHBondContact O-CG1 3.46Å; Q478-I482 PolarHBondContact O-N 3.14Å; Q478-I482 VanDerWaalsContact O-N 3.12Å; H479-I482 CarbonylContact O-C 3.52Å; H479-I482 PolarHBondContact O-N 2.85Å; I482-T484 PolarHBondContact O-N 3.14Å; I482-E485 HydrophobicContact CB-CB 4.41Å; I482-E485 HydrophobicContact CB-CG 4.49Å; I482-E485 WeakPolarHBondContact O-CA 3.49Å; I482-E485 WeakPolarHBondContact O-CB 3.33Å; I482-E485 PolarHBondContact O-N 3.25Å; I482-I486 HydrophobicContact CD1-CD1 4.19Å; I482-I486 HydrophobicContact CD1-CG1 4.2Å; I482-I486 HydrophobicContact CG1-CD1 3.89Å; I482-I486 HydrophobicContact CG1-CG1 4.11Å; I482-I486 PolarHBondContact O-N 3.35Å
483W93.7Very high91.8Very high6 Ų656 Ų562%0.02328%0.281CS..Hα-helixtrans-58.1-37.1-173.2-172.7-110.7000113.1I461 S463 L466 L468 H479 L480 E485 I486 V487 E498 P500I461-W483 HydrophobicContact CB-CZ3 4.26Å; I461-W483 HydrophobicContact CD1-CD2 4.33Å; I461-W483 HydrophobicContact CD1-CE3 3.41Å; I461-W483 VanDerWaalsContact CD1-CE3 3.41Å; I461-W483 HydrophobicContact CD1-CH2 4.47Å; I461-W483 HydrophobicContact CD1-CZ3 3.5Å; I461-W483 HydrophobicContact CG1-CE3 3.94Å; I461-W483 HydrophobicContact CG1-CH2 4.11Å; I461-W483 HydrophobicContact CG1-CZ3 3.58Å; I461-W483 HydrophobicContact CG2-CH2 4.26Å; I461-W483 HydrophobicContact CG2-CZ3 3.71Å; S463-W483 WeakPolarHBondContact OG-CZ2 3.42Å; L466-W483 HydrophobicContact CB-CH2 4.39Å; L466-W483 HydrophobicContact CB-CZ2 4.13Å; L466-W483 HydrophobicContact CD2-CH2 3.8Å; L466-W483 HydrophobicContact CD2-CZ2 3.91Å; L466-W483 HydrophobicContact CG-CH2 4.01Å; L466-W483 HydrophobicContact CG-CZ2 4.19Å; L468-W483 HydrophobicContact CD1-CH2 4.39Å; L468-W483 HydrophobicContact CD1-CZ3 4.29Å; H479-W483 WeakPolarHBondContact O-CA 3.38Å; H479-W483 PolarHBondContact O-N 3.17Å; H479-W483 VanDerWaalsContact O-N 3.09Å; L480-W483 VanDerWaalsContact O-CB 3.28Å; L480-W483 WeakPolarHBondContact O-CB 3.31Å; L480-W483 PolarHBondContact O-N 2.95Å; W483-E485 VanDerWaalsContact C-N 3.32Å; W483-E485 PolarHBondContact O-N 3.28Å; W483-I486 HydrophobicContact CE3-CB 4.23Å; W483-I486 HydrophobicContact CE3-CD1 4.05Å; W483-I486 HydrophobicContact CE3-CG2 4.13Å; W483-I486 HydrophobicContact CZ3-CD1 4.43Å; W483-I486 HydrophobicContact CZ3-CG2 3.95Å; W483-I486 PolarHBondContact O-N 3.21Å; W483-I486 VanDerWaalsContact O-N 3.16Å; W483-V487 HydrophobicContact CD2-CG2 4.14Å; W483-V487 HydrophobicContact CG-CG2 4.23Å; W483-V487 HydrophobicContact CZ2-CG2 4.04Å; W483-V487 VanDerWaalsContact NE1-CG2 3.29Å; W483-V487 WeakPolarHBondContact O-CG2 3.42Å; W483-V487 PolarHBondContact O-N 2.9Å; W483-E498 VanDerWaalsContact CD1-O 3.26Å; W483-E498 PolarHBondContact NE1-O 3.42Å; W483-P500 HydrophobicContact CB-CG 3.81Å; W483-P500 VanDerWaalsContact CD1-CD 3.44Å; W483-P500 HydrophobicContact CD2-CB 3.6Å; W483-P500 HydrophobicContact CD2-CG 3.84Å; W483-P500 HydrophobicContact CE3-CB 4.12Å; W483-P500 HydrophobicContact CG-CB 3.79Å; W483-P500 HydrophobicContact CG-CG 3.43Å; W483-P500 VanDerWaalsContact CG-CG 3.43Å; W483-P500 HydrophobicContact CZ2-CB 4.22Å
484T92.8Very high91.9Very high87 Ų8752.2 Ų52.253%0.53427%0.27SS..Hα-helixtrans-58.1-42.1174.2-55.90000112.5I482 T488 P495I482-T484 PolarHBondContact O-N 3.14Å; T484-T488 WeakPolarHBondContact O-CB 3.34Å; T484-T488 PolarHBondContact O-N 2.98Å; T484-T488 VanDerWaalsContact O-N 3.11Å; T484-T488 PolarHBondContact O-OG1 2.68Å; T484-P495 HydrophobicContact CG2-CB 3.75Å; T484-P495 HydrophobicContact CG2-CG 4.28Å
485E90.3Very high92Very high87 Ų8751.5 Ų51.541%0.40727%0.27SS..Hα-helixtrans-64.8-46.7175.1-58.7177.2-148.300109.6K311 I482 W483 V487 T488 D489K311-E485 IonicContact NZ-OE1 2.98Å; K311-E485 PolarHBondContact NZ-OE1 2.94Å; K311-E485 IonicContact NZ-OE2 3.26Å; K311-E485 PolarHBondContact NZ-OE2 2.88Å; I482-E485 HydrophobicContact CB-CB 4.41Å; I482-E485 HydrophobicContact CB-CG 4.49Å; I482-E485 WeakPolarHBondContact O-CA 3.49Å; I482-E485 WeakPolarHBondContact O-CB 3.33Å; I482-E485 PolarHBondContact O-N 3.25Å; W483-E485 VanDerWaalsContact C-N 3.32Å; W483-E485 PolarHBondContact O-N 3.28Å; E485-V487 PolarHBondContact O-N 3.36Å; E485-T488 PolarHBondContact O-N 2.91Å; E485-D489 WeakPolarHBondContact O-CB 3.27Å; E485-D489 VanDerWaalsContact O-CG 3.28Å; E485-D489 PolarHBondContact O-N 2.75Å
486I89.9Confident91.8Very high22 Ų2257.4 Ų57.411%0.11330%0.298CS..Hα-helixtrans-59-46.8179.1-65.2173.4000112L466 L468 H479 I482 W483 T488 D489 L490L466-I486 HydrophobicContact CD2-CG2 4.22Å; L468-I486 HydrophobicContact CD1-CG2 3.88Å; H479-I486 HydrophobicContact CB-CD1 4.04Å; I482-I486 HydrophobicContact CD1-CD1 4.19Å; I482-I486 HydrophobicContact CD1-CG1 4.2Å; I482-I486 HydrophobicContact CG1-CD1 3.89Å; I482-I486 HydrophobicContact CG1-CG1 4.11Å; I482-I486 PolarHBondContact O-N 3.35Å; W483-I486 HydrophobicContact CE3-CB 4.23Å; W483-I486 HydrophobicContact CE3-CD1 4.05Å; W483-I486 HydrophobicContact CE3-CG2 4.13Å; W483-I486 HydrophobicContact CZ3-CD1 4.43Å; W483-I486 HydrophobicContact CZ3-CG2 3.95Å; W483-I486 PolarHBondContact O-N 3.21Å; W483-I486 VanDerWaalsContact O-N 3.16Å; I486-T488 VanDerWaalsContact C-N 3.34Å; I486-D489 PolarHBondContact O-N 3.46Å; I486-L490 HydrophobicContact CG2-CD1 3.77Å; I486-L490 HydrophobicContact CG2-CG 4.47Å; I486-L490 WeakPolarHBondContact O-CB 3.14Å; I486-L490 WeakPolarHBondContact O-CG 3.45Å; I486-L490 PolarHBondContact O-N 3.04Å
487V92.7Very high91.8Very high0 Ų066.3 Ų66.30%033%0.332CS..Hα-helixtrans-64.1-41.5179174.40000110.5L466 W483 E485 T491 L493 P495 E498L466-V487 HydrophobicContact CD2-CG2 4.27Å; W483-V487 HydrophobicContact CD2-CG2 4.14Å; W483-V487 HydrophobicContact CG-CG2 4.23Å; W483-V487 HydrophobicContact CZ2-CG2 4.04Å; W483-V487 VanDerWaalsContact NE1-CG2 3.29Å; W483-V487 WeakPolarHBondContact O-CG2 3.42Å; W483-V487 PolarHBondContact O-N 2.9Å; E485-V487 PolarHBondContact O-N 3.36Å; V487-T491 WeakPolarHBondContact CG1-OG1 3.33Å; V487-T491 WeakPolarHBondContact O-CA 3.2Å; V487-T491 WeakPolarHBondContact O-CB 3.1Å; V487-T491 PolarHBondContact O-N 3.23Å; V487-T491 PolarHBondContact O-OG1 3.49Å; V487-L493 HydrophobicContact CG1-CB 3.92Å; V487-P495 HydrophobicContact CB-CB 4.27Å; V487-P495 HydrophobicContact CB-CG 4.4Å; V487-P495 HydrophobicContact CG1-CB 4.18Å; V487-P495 HydrophobicContact CG1-CG 4.08Å; V487-E498 HydrophobicContact CG1-CG 4.26Å; V487-E498 HydrophobicContact CG2-CB 4.11Å; V487-E498 HydrophobicContact CG2-CG 4.43Å
488T92.6Very high91.9Very high68 Ų6865.9 Ų65.942%0.41733%0.33SS..Hα-helixtrans-64.4-42.6178.6-57.60000111.9T484 E485 I486 K709T484-T488 WeakPolarHBondContact O-CB 3.34Å; T484-T488 PolarHBondContact O-N 2.98Å; T484-T488 VanDerWaalsContact O-N 3.11Å; T484-T488 PolarHBondContact O-OG1 2.68Å; E485-T488 PolarHBondContact O-N 2.91Å; I486-T488 VanDerWaalsContact C-N 3.34Å; T488-K709 PolarHBondContact O-NZ 3.16Å
489D87.5Confident92Very high113 Ų11367.7 Ų67.760%0.60435%0.348SS*.Hα-helixtrans-74-36.9-177.2-73-10.6000112.4E485 I486 K709E485-D489 WeakPolarHBondContact O-CB 3.27Å; E485-D489 VanDerWaalsContact O-CG 3.28Å; E485-D489 PolarHBondContact O-N 2.75Å; I486-D489 PolarHBondContact O-N 3.46Å; D489-K709 WeakPolarHBondContact O-CD 3.37Å
490L89.3Confident92.3Very high33 Ų3367 Ų6717%0.17335%0.347CS..Hα-helixtrans-99.7-12.3-173.9-62-179.7000114L468 I486 K709 Q710 L713L468-L490 HydrophobicContact CD1-CD1 3.76Å; L468-L490 HydrophobicContact CD2-CD1 4.35Å; I486-L490 HydrophobicContact CG2-CD1 3.77Å; I486-L490 HydrophobicContact CG2-CG 4.47Å; I486-L490 WeakPolarHBondContact O-CB 3.14Å; I486-L490 WeakPolarHBondContact O-CG 3.45Å; I486-L490 PolarHBondContact O-N 3.04Å; L490-K709 WeakPolarHBondContact O-CB 3.42Å; L490-Q710 HydrophobicContact CB-CG 4.15Å; L490-Q710 WeakPolarHBondContact O-CG 3.45Å; L490-Q710 PolarHBondContact O-NE2 3.36Å; L490-L713 HydrophobicContact CD1-CD1 3.85Å; L490-L713 HydrophobicContact CD2-CD1 3.88Å
491T91.6Very high92.5Very high6 Ų668.3 Ų68.34%0.03735%0.352CS..  trans-142.8177.9-171.885.50000112.7L466 V487 L493 K709L466-T491 HydrophobicContact CB-CG2 4.5Å; L466-T491 HydrophobicContact CD1-CG2 4.1Å; L466-T491 HydrophobicContact CD2-CG2 3.89Å; L466-T491 HydrophobicContact CG-CG2 4.39Å; V487-T491 WeakPolarHBondContact CG1-OG1 3.33Å; V487-T491 WeakPolarHBondContact O-CA 3.2Å; V487-T491 WeakPolarHBondContact O-CB 3.1Å; V487-T491 PolarHBondContact O-N 3.23Å; V487-T491 PolarHBondContact O-OG1 3.49Å; T491-L493 HydrophobicContact CG2-CD1 4.01Å; T491-L493 HydrophobicContact CG2-CG 4.43Å; T491-L493 WeakPolarHBondContact OG1-CB 3.29Å; T491-L493 WeakPolarHBondContact OG1-CG 3.48Å; T491-L493 PolarHBondContact OG1-N 3.13Å; T491-K709 WeakPolarHBondContact O-CD 3.25Å; T491-K709 PolarHBondContact O-NZ 3.13Å
492V90.5Very high92.8Very high132 Ų13264.2 Ų64.280%0.834%0.337SS*.SBendtrans-112.317.1168.7-630000110.9
493L90.9Very high93.2Very high53 Ų5362.8 Ų62.828%0.27733%0.328SS..SBendtrans-75.3157-179.9-58.9169.7000110.3N465 V487 T491 P495 E498N465-L493 HydrophobicContact CB-CD1 3.59Å; N465-L493 HydrophobicContact CB-CD2 4.2Å; V487-L493 HydrophobicContact CG1-CB 3.92Å; T491-L493 HydrophobicContact CG2-CD1 4.01Å; T491-L493 HydrophobicContact CG2-CG 4.43Å; T491-L493 WeakPolarHBondContact OG1-CB 3.29Å; T491-L493 WeakPolarHBondContact OG1-CG 3.48Å; T491-L493 PolarHBondContact OG1-N 3.13Å; L493-P495 WeakPolarHBondContact O-CD 3.33Å; L493-E498 HydrophobicContact CB-CG 4.3Å; L493-E498 HydrophobicContact CD1-CG 4.17Å
494D92.2Very high93.5Very high67 Ų6762.6 Ų62.636%0.35833%0.328SS..  trans-73.8110.9168.8176.91.7000109.2Q496 R497D494-Q496 PolarHBondContact O-N 3.14Å; D494-Q496 VanDerWaalsContact O-N 3.12Å; D494-Q496 WeakPolarHBondContact OD1-CB 3.32Å; D494-Q496 PolarHBondContact OD1-N 3.33Å; D494-R497 HydrophobicContact CB-CG 4.25Å; D494-R497 PolarHBondContact O-N 2.94Å; D494-R497 VanDerWaalsContact O-N 3.12Å; D494-R497 WeakPolarHBondContact OD2-CG 3.45Å; D494-R497 IonicContact OD2-NE 2.8Å; D494-R497 PolarHBondContact OD2-NE 3.33Å; D494-R497 VanDerWaalsContact OD2-NE 3.09Å
495P92.3Very high93.8Very high31 Ų3159.3 Ų59.320%0.20131%0.306CS..THydrogen-bonded Turntrans-62.5-21.1-176.8-21.934.6000113.9T484 V487 L493 R497 E498T484-P495 HydrophobicContact CG2-CB 3.75Å; T484-P495 HydrophobicContact CG2-CG 4.28Å; V487-P495 HydrophobicContact CB-CB 4.27Å; V487-P495 HydrophobicContact CB-CG 4.4Å; V487-P495 HydrophobicContact CG1-CB 4.18Å; V487-P495 HydrophobicContact CG1-CG 4.08Å; L493-P495 WeakPolarHBondContact O-CD 3.33Å; P495-R497 VanDerWaalsContact C-N 3.27Å; P495-R497 PolarHBondContact O-N 3.37Å; P495-E498 PolarHBondContact O-N 3.14Å
496Q91.8Very high94.1Very high185 Ų18555.7 Ų55.786%0.86429%0.288SS*.THydrogen-bonded Turntrans-73.7-20.4179.7-61.5-171.8-5.600112.8D494D494-Q496 PolarHBondContact O-N 3.14Å; D494-Q496 VanDerWaalsContact O-N 3.12Å; D494-Q496 WeakPolarHBondContact OD1-CB 3.32Å; D494-Q496 PolarHBondContact OD1-N 3.33Å
497R94.5Very high94.5Very high188 Ų18855.3 Ų55.371%0.70929%0.287SS*.THydrogen-bonded Turntrans-91.6-14.9178.1-62-179.3-170.3-148-5.4113D494 P495 S499D494-R497 HydrophobicContact CB-CG 4.25Å; D494-R497 PolarHBondContact O-N 2.94Å; D494-R497 VanDerWaalsContact O-N 3.12Å; D494-R497 WeakPolarHBondContact OD2-CG 3.45Å; D494-R497 IonicContact OD2-NE 2.8Å; D494-R497 PolarHBondContact OD2-NE 3.33Å; D494-R497 VanDerWaalsContact OD2-NE 3.09Å; P495-R497 VanDerWaalsContact C-N 3.27Å; P495-R497 PolarHBondContact O-N 3.37Å; R497-S499 PolarHBondContact O-N 3.03Å
498E96Very high94.7Very high10 Ų1055.6 Ų55.65%0.04729%0.289CS..  trans-95.495.3-177-63.1-58.8147.300110.5S463 E464 N465 W483 V487 L493 P495 P500S463-E498 WeakPolarHBondContact CB-OE2 3.42Å; S463-E498 PolarHBondContact OG-OE2 3.01Å; E464-E498 PolarHBondContact N-OE2 3.36Å; E464-E498 VanDerWaalsContact N-OE2 3.11Å; N465-E498 PolarHBondContact N-OE2 2.9Å; N465-E498 PolarHBondContact ND2-OE1 3.39Å; W483-E498 VanDerWaalsContact CD1-O 3.26Å; W483-E498 PolarHBondContact NE1-O 3.42Å; V487-E498 HydrophobicContact CG1-CG 4.26Å; V487-E498 HydrophobicContact CG2-CB 4.11Å; V487-E498 HydrophobicContact CG2-CG 4.43Å; L493-E498 HydrophobicContact CB-CG 4.3Å; L493-E498 HydrophobicContact CD1-CG 4.17Å; P495-E498 PolarHBondContact O-N 3.14Å; E498-P500 WeakPolarHBondContact O-CD 3.15Å
499S96.1Very high94.8Very high92 Ų9256.1 Ų56.164%0.64328%0.283SS*.  trans-91.3111.3173.9179.90000110.7R497R497-S499 PolarHBondContact O-N 3.03Å
500P97.7Very high95.1Very high28 Ų2851.1 Ų51.118%0.18226%0.256CS..  trans-81.4146.8-17734.8-37.1000112.6I461 C462 L480 W483 E498I461-P500 HydrophobicContact CD1-CB 4.1Å; I461-P500 HydrophobicContact CG1-CB 3.94Å; C462-P500 CarbonylContact O-C 3.6Å; C462-P500 WeakPolarHBondContact O-CA 3.31Å; L480-P500 HydrophobicContact CD2-CB 3.71Å; L480-P500 HydrophobicContact CD2-CG 3.63Å; W483-P500 HydrophobicContact CB-CG 3.81Å; W483-P500 VanDerWaalsContact CD1-CD 3.44Å; W483-P500 HydrophobicContact CD2-CB 3.6Å; W483-P500 HydrophobicContact CD2-CG 3.84Å; W483-P500 HydrophobicContact CE3-CB 4.12Å; W483-P500 HydrophobicContact CG-CB 3.79Å; W483-P500 HydrophobicContact CG-CG 3.43Å; W483-P500 VanDerWaalsContact CG-CG 3.43Å; W483-P500 HydrophobicContact CZ2-CB 4.22Å; E498-P500 WeakPolarHBondContact O-CD 3.15Å
501Q98.4Very high95.4Very high79 Ų7951.7 Ų51.737%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-134.8160.6169-63.3177-45.700109.8Y421 C462 F503Y421-Q501 HydrophobicContact CD2-CB 4.1Å; Y421-Q501 HydrophobicContact CE2-CB 4.32Å; Y421-Q501 HydrophobicContact CE2-CG 4.36Å; C462-Q501 PolarHBondContact N-O 3.35Å; C462-Q501 PolarHBondContact O-N 2.96Å; Q501-F503 HydrophobicContact CB-CD2 4.36Å; Q501-F503 HydrophobicContact CB-CE2 3.65Å; Q501-F503 HydrophobicContact CB-CZ 4.23Å; Q501-F503 WeakPolarHBondContact O-CD2 3.46Å
502L98.8Very high95.6Very high2 Ų252.1 Ų52.11%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-93.7134.7176.8-58.3-176.7000110.2V418 I420 Y421 I459 W460 I461 P476 L477 L480V418-L502 HydrophobicContact CG2-CD1 3.83Å; I420-L502 HydrophobicContact CD1-CB 3.7Å; I420-L502 HydrophobicContact CD1-CD1 3.83Å; I420-L502 HydrophobicContact CD1-CG 4.43Å; Y421-L502 PolarHBondContact N-O 2.84Å; I459-L502 HydrophobicContact CG2-CB 4.32Å; I459-L502 HydrophobicContact CG2-CD2 4.44Å; W460-L502 CarbonylContact O-C 3.55Å; W460-L502 WeakPolarHBondContact O-CA 3.47Å; I461-L502 HydrophobicContact CB-CD2 4.11Å; I461-L502 HydrophobicContact CG1-CD2 4.22Å; P476-L502 HydrophobicContact CB-CD1 3.61Å; P476-L502 HydrophobicContact CB-CD2 3.72Å; P476-L502 HydrophobicContact CB-CG 4.34Å; L477-L502 HydrophobicContact CD1-CD1 4.4Å; L480-L502 HydrophobicContact CD1-CD1 4.35Å; L480-L502 HydrophobicContact CD1-CD2 4.38Å; L480-L502 HydrophobicContact CD1-CG 4.19Å; L480-L502 HydrophobicContact CD2-CD2 4.27Å; L480-L502 HydrophobicContact CG-CD2 4.3Å
503F98.8Very high95.8Very high29 Ų2950.6 Ų50.613%0.12725%0.248CC..EExtended strand (participates in β ladder)trans-126.7141.6-178.8-69.1-99.5000111.9Y421 M423 I459 W460 C462 Q501 R505Y421-F503 VanDerWaalsContact CB-CE1 3.46Å; Y421-F503 HydrophobicContact CG-CE1 4.39Å; Y421-F503 CarbonylContact O-C 3.59Å; Y421-F503 WeakPolarHBondContact O-CA 3.36Å; M423-F503 HydrophobicContact SD-CD1 3.99Å; M423-F503 HydrophobicContact SD-CE1 4.4Å; I459-F503 CarbonylContact C-O 3.55Å; I459-F503 WeakPolarHBondContact CA-O 3.42Å; W460-F503 PolarHBondContact N-O 3.3Å; W460-F503 PolarHBondContact O-N 2.91Å; C462-F503 HydrophobicContact CB-CD2 3.59Å; C462-F503 HydrophobicContact CB-CE2 3.69Å; Q501-F503 HydrophobicContact CB-CD2 4.36Å; Q501-F503 HydrophobicContact CB-CE2 3.65Å; Q501-F503 HydrophobicContact CB-CZ 4.23Å; Q501-F503 WeakPolarHBondContact O-CD2 3.46Å; F503-R505 HydrophobicContact CB-CG 3.72Å
504L98.8Very high96.1Very high3 Ų350.8 Ų50.82%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-83.8115.8160.8-177.374.7000107.9I420 Y421 M444 M447 L449 F457 I459 I526I420-L504 HydrophobicContact CG2-CB 3.98Å; Y421-L504 PolarHBondContact O-N 3.15Å; M444-L504 HydrophobicContact CE-CD1 3.76Å; M444-L504 HydrophobicContact SD-CD1 3.63Å; M447-L504 HydrophobicContact CE-CB 4.13Å; M447-L504 HydrophobicContact CE-CD1 4.46Å; M447-L504 HydrophobicContact CE-CD2 3.85Å; M447-L504 HydrophobicContact CE-CG 4.37Å; L449-L504 HydrophobicContact CD1-CD1 4.35Å; L449-L504 HydrophobicContact CD1-CD2 3.93Å; F457-L504 HydrophobicContact CB-CD1 3.59Å; F457-L504 HydrophobicContact CB-CG 3.96Å; F457-L504 HydrophobicContact CG-CD1 4.45Å; F457-L504 HydrophobicContact CG-CG 4.38Å; I459-L504 HydrophobicContact CD1-CD1 4.36Å; L504-I526 HydrophobicContact CD2-CD1 4.05Å; L504-I526 HydrophobicContact CD2-CG2 4.5Å
505R98.6Very high96.3Very high18 Ų1847.6 Ų47.67%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-138.9163.7-178.6-58-178.661.7-173.61.2111.1M423 F457 T458 W460 H467 F503 D507 E530M423-R505 HydrophobicContact SD-CG 4.1Å; F457-R505 VanDerWaalsContact CA-O 3.27Å; F457-R505 WeakPolarHBondContact CA-O 3.45Å; F457-R505 WeakPolarHBondContact CB-O 3.25Å; T458-R505 PolarHBondContact N-O 2.81Å; T458-R505 PolarHBondContact O-N 3.01Å; T458-R505 VanDerWaalsContact O-N 3.09Å; W460-R505 HydrophobicContact CB-CG 4.39Å; W460-R505 HydrophobicContact CD2-CB 4.38Å; W460-R505 HydrophobicContact CG-CB 3.99Å; W460-R505 HydrophobicContact CG-CG 4.23Å; H467-R505 PolarHBondContact ND1-NH1 3.04Å; F503-R505 HydrophobicContact CB-CG 3.72Å; R505-D507 PolarHBondContact O-N 3.07Å; R505-E530 WeakPolarHBondContact CA-OE2 3.49Å; R505-E530 WeakPolarHBondContact CB-OE2 3.31Å; R505-E530 IonicContact CZ-OE1 2.98Å; R505-E530 VanDerWaalsContact CZ-OE1 3.26Å; R505-E530 IonicContact NE-OE1 3.02Å; R505-E530 PolarHBondContact NE-OE1 3.32Å; R505-E530 IonicContact NH2-OE1 3.17Å; R505-E530 PolarHBondContact NH2-OE1 3.17Å
506R98.6Very high96.6Very high10 Ų1050.6 Ų50.64%0.03824%0.244CC..EExtended strand (participates in β ladder)trans-49.4132.4174.2-173.5-174.8-177.8-75.8-3.9110.1W460 V508 L510 E515 L527 E530W460-R506 PolarHBondContact NE1-O 2.91Å; R506-V508 PolarHBondContact O-N 3.39Å; R506-L510 HydrophobicContact CG-CD2 4.15Å; R506-L510 PolarHBondContact NH2-O 2.99Å; R506-E515 IonicContact CZ-OE2 3.68Å; R506-E515 IonicContact NE-OE2 3.96Å; R506-E515 PolarHBondContact NE-OE2 3.02Å; R506-E515 IonicContact NH2-OE2 2.67Å; R506-E515 PolarHBondContact NH2-OE2 2.7Å; R506-L527 HydrophobicContact CB-CD2 4.15Å; R506-L527 HydrophobicContact CG-CD2 3.88Å; R506-E530 WeakPolarHBondContact CB-OE2 3.4Å; R506-E530 PolarHBondContact N-OE2 2.94Å
507D98.1Very high96.8Very high15 Ų1549.3 Ų49.38%0.0824%0.235CC..  trans-67.8122.8169.3-167.7-33.5000108.5Y456 T458 Q469 R505 R509 L510Y456-D507 PolarHBondContact O-N 3.02Å; T458-D507 HydrophobicContact CG2-CB 4.39Å; Q469-D507 PolarHBondContact NE2-OD1 3.41Å; R505-D507 PolarHBondContact O-N 3.07Å; D507-R509 PolarHBondContact O-N 3.42Å; D507-R509 VanDerWaalsContact OD1-CB 3.28Å; D507-R509 WeakPolarHBondContact OD1-CB 3.22Å; D507-R509 WeakPolarHBondContact OD1-CG 3.42Å; D507-R509 IonicContact OD1-CZ 2.95Å; D507-R509 PolarHBondContact OD1-N 2.81Å; D507-R509 IonicContact OD1-NE 2.8Å; D507-R509 PolarHBondContact OD1-NE 3.34Å; D507-R509 IonicContact OD1-NH2 3.63Å; D507-R509 IonicContact OD2-CZ 3.83Å; D507-R509 VanDerWaalsContact OD2-CZ 3.3Å; D507-R509 IonicContact OD2-NE 2.68Å; D507-R509 PolarHBondContact OD2-NE 3.12Å; D507-R509 IonicContact OD2-NH2 3.92Å; D507-R509 PolarHBondContact OD2-NH2 3.27Å; D507-L510 WeakPolarHBondContact O-CB 3.46Å; D507-L510 PolarHBondContact O-N 3.1Å
508V95.8Very high96.9Very high6 Ų640.3 Ų40.34%0.03620%0.202CC..THydrogen-bonded Turntrans-57.2-23.8178.872.80000112.2W460 Q469 R506 A634 L717 L721W460-V508 HydrophobicContact CZ2-CB 4.32Å; Q469-V508 VanDerWaalsContact OE1-CG1 3.31Å; R506-V508 PolarHBondContact O-N 3.39Å; V508-A634 HydrophobicContact CG2-CB 3.88Å; V508-L717 HydrophobicContact CG1-CD1 3.72Å; V508-L717 HydrophobicContact CG2-CD1 4.49Å; V508-L717 HydrophobicContact CG2-CD2 4.22Å; V508-L721 HydrophobicContact CG2-CD1 4.28Å
509R94.2Very high96.9Very high78 Ų7846.1 Ų46.129%0.29423%0.229SC..THydrogen-bonded Turntrans-82.4-10.9179.1-55.6172.5-67.2164.3-4.5113.8D507 P511 L721D507-R509 PolarHBondContact O-N 3.42Å; D507-R509 VanDerWaalsContact OD1-CB 3.28Å; D507-R509 WeakPolarHBondContact OD1-CB 3.22Å; D507-R509 WeakPolarHBondContact OD1-CG 3.42Å; D507-R509 IonicContact OD1-CZ 2.95Å; D507-R509 PolarHBondContact OD1-N 2.81Å; D507-R509 IonicContact OD1-NE 2.8Å; D507-R509 PolarHBondContact OD1-NE 3.34Å; D507-R509 IonicContact OD1-NH2 3.63Å; D507-R509 IonicContact OD2-CZ 3.83Å; D507-R509 VanDerWaalsContact OD2-CZ 3.3Å; D507-R509 IonicContact OD2-NE 2.68Å; D507-R509 PolarHBondContact OD2-NE 3.12Å; D507-R509 IonicContact OD2-NH2 3.92Å; D507-R509 PolarHBondContact OD2-NH2 3.27Å; R509-P511 WeakPolarHBondContact O-CD 3.23Å; R509-P511 VanDerWaalsContact O-N 3.14Å; R509-L721 HydrophobicContact CB-CD2 4.22Å; R509-L721 HydrophobicContact CG-CD2 4Å
510L95.2Very high97Very high9 Ų943.2 Ų43.25%0.04721%0.206CC..  trans-59.5114.6-178.217562.3000109.9Y456 R506 D507 V514 E515 T660Y456-L510 HydrophobicContact CD1-CD1 3.64Å; Y456-L510 HydrophobicContact CD1-CD2 3.71Å; Y456-L510 HydrophobicContact CD1-CG 4.33Å; Y456-L510 HydrophobicContact CE1-CD1 4.22Å; Y456-L510 HydrophobicContact CG-CD2 4.36Å; R506-L510 HydrophobicContact CG-CD2 4.15Å; R506-L510 PolarHBondContact NH2-O 2.99Å; D507-L510 WeakPolarHBondContact O-CB 3.46Å; D507-L510 PolarHBondContact O-N 3.1Å; L510-V514 HydrophobicContact CD1-CB 4.18Å; L510-V514 HydrophobicContact CD1-CG1 3.97Å; L510-E515 HydrophobicContact CD2-CB 4.01Å; L510-E515 HydrophobicContact CD2-CG 3.99Å; L510-E515 HydrophobicContact CG-CB 4.27Å; L510-T660 WeakPolarHBondContact O-CG2 3.39Å
511P95.1Very high97Very high45 Ų4545.2 Ų45.229%0.29222%0.219SC..  trans-64.3143.3176.9-20.534000111R509 E513 V514 E515R509-P511 WeakPolarHBondContact O-CD 3.23Å; R509-P511 VanDerWaalsContact O-N 3.14Å; P511-E513 PolarHBondContact O-N 3.21Å; P511-V514 HydrophobicContact CB-CB 4.43Å; P511-V514 HydrophobicContact CB-CG2 4.01Å; P511-V514 HydrophobicContact CG-CG2 4.09Å; P511-V514 PolarHBondContact O-N 3.45Å; P511-E515 PolarHBondContact O-N 3.49Å; P511-E515 VanDerWaalsContact O-N 3.11Å
512L94.9Very high96.9Very high15 Ų1544.5 Ų44.58%0.07922%0.217CC..Hα-helixtrans-67.2-29.8-176.6-170.762.8000111.5V514 E515 K516 W626 Y631L512-V514 VanDerWaalsContact C-N 3.31Å; L512-V514 PolarHBondContact O-N 2.99Å; L512-E515 PolarHBondContact O-N 2.99Å; L512-K516 WeakPolarHBondContact O-CB 3.48Å; L512-K516 VanDerWaalsContact O-CG 3.25Å; L512-K516 WeakPolarHBondContact O-CG 3.48Å; L512-K516 PolarHBondContact O-N 3.39Å; L512-W626 HydrophobicContact CD1-CB 4.05Å; L512-W626 HydrophobicContact CD1-CD2 4.47Å; L512-W626 HydrophobicContact CD1-CG 3.78Å; L512-W626 HydrophobicContact CD2-CB 4.37Å; L512-Y631 HydrophobicContact CD1-CD1 3.98Å; L512-Y631 HydrophobicContact CD1-CE1 3.95Å
513E95.2Very high96.9Very high99 Ų9944.4 Ų44.446%0.46322%0.217SC..Hα-helixtrans-68-33178.5-60.563.3-131.300111.5P511P511-E513 PolarHBondContact O-N 3.21Å
514V96.7Very high96.9Very high57 Ų5743.1 Ų43.135%0.34521%0.211SC..Hα-helixtrans-74.8-45.2174.8177.40000109.4Y456 L510 P511 L512 K516 K517Y456-V514 HydrophobicContact CE1-CG1 4.14Å; L510-V514 HydrophobicContact CD1-CB 4.18Å; L510-V514 HydrophobicContact CD1-CG1 3.97Å; P511-V514 HydrophobicContact CB-CB 4.43Å; P511-V514 HydrophobicContact CB-CG2 4.01Å; P511-V514 HydrophobicContact CG-CG2 4.09Å; P511-V514 PolarHBondContact O-N 3.45Å; L512-V514 VanDerWaalsContact C-N 3.31Å; L512-V514 PolarHBondContact O-N 2.99Å; V514-K516 VanDerWaalsContact C-N 3.33Å; V514-K516 PolarHBondContact O-N 3Å; V514-K517 PolarHBondContact O-N 3.27Å
515E97.6Very high96.9Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-63.4-36.9178.6-164.6-174.9133.700112.7R506 L510 P511 L512 K517 V518 L527 W626 Y631R506-E515 IonicContact CZ-OE2 3.68Å; R506-E515 IonicContact NE-OE2 3.96Å; R506-E515 PolarHBondContact NE-OE2 3.02Å; R506-E515 IonicContact NH2-OE2 2.67Å; R506-E515 PolarHBondContact NH2-OE2 2.7Å; L510-E515 HydrophobicContact CD2-CB 4.01Å; L510-E515 HydrophobicContact CD2-CG 3.99Å; L510-E515 HydrophobicContact CG-CB 4.27Å; P511-E515 PolarHBondContact O-N 3.49Å; P511-E515 VanDerWaalsContact O-N 3.11Å; L512-E515 PolarHBondContact O-N 2.99Å; E515-K517 PolarHBondContact O-N 2.97Å; E515-V518 WeakPolarHBondContact O-CB 2.86Å; E515-V518 WeakPolarHBondContact O-CG1 3Å; E515-V518 PolarHBondContact O-N 3.29Å; E515-L527 HydrophobicContact CG-CD1 3.81Å; E515-W626 PolarHBondContact OE1-NE1 3.41Å; E515-Y631 WeakPolarHBondContact OE1-CE1 3.33Å; E515-Y631 VanDerWaalsContact OE1-CZ 3.27Å; E515-Y631 PolarHBondContact OE1-OH 3.05Å
516K97.6Very high96.9Very high94 Ų9444.9 Ų44.941%0.40922%0.222SC..THydrogen-bonded Turntrans-55.3-27.6176.4-83.5170175.4177.70113.7L512 V514 R619 W626L512-K516 WeakPolarHBondContact O-CB 3.48Å; L512-K516 VanDerWaalsContact O-CG 3.25Å; L512-K516 WeakPolarHBondContact O-CG 3.48Å; L512-K516 PolarHBondContact O-N 3.39Å; V514-K516 VanDerWaalsContact C-N 3.33Å; V514-K516 PolarHBondContact O-N 3Å; K516-R619 PolarHBondContact O-NH2 3.14Å; K516-W626 HydrophobicContact CB-CH2 4.23Å; K516-W626 HydrophobicContact CB-CZ3 4.13Å; K516-W626 HydrophobicContact CD-CE3 4.41Å; K516-W626 HydrophobicContact CG-CD2 4.06Å; K516-W626 HydrophobicContact CG-CE3 3.54Å; K516-W626 HydrophobicContact CG-CH2 3.96Å; K516-W626 HydrophobicContact CG-CZ2 4.4Å; K516-W626 HydrophobicContact CG-CZ3 3.49Å; K516-W626 VanDerWaalsContact CG-CZ3 3.49Å
517K97.1Very high96.9Very high158 Ų15844.6 Ų44.669%0.68722%0.221SC*.THydrogen-bonded Turntrans-90.52.2-178.6-60.7175.7-175-179.80113.5V514 E515 E519V514-K517 PolarHBondContact O-N 3.27Å; E515-K517 PolarHBondContact O-N 2.97Å; K517-E519 PolarHBondContact O-N 3.46Å
518V96.8Very high96.9Very high0 Ų044 Ų440%022%0.217CC..  trans-65.2132.2-18073.20000111.3Y456 E515 A523 I524 L527 R619Y456-V518 HydrophobicContact CD2-CG2 4.4Å; Y456-V518 HydrophobicContact CE2-CG2 3.72Å; E515-V518 WeakPolarHBondContact O-CB 2.86Å; E515-V518 WeakPolarHBondContact O-CG1 3Å; E515-V518 PolarHBondContact O-N 3.29Å; V518-A523 HydrophobicContact CG2-CB 3.67Å; V518-I524 HydrophobicContact CG1-CG1 3.84Å; V518-I524 HydrophobicContact CG2-CG1 4.26Å; V518-L527 HydrophobicContact CG1-CD1 4.41Å; V518-R619 PolarHBondContact O-NE 3.33Å; V518-R619 PolarHBondContact O-NH1 3.03Å; V518-R619 PolarHBondContact O-NH2 3.45Å
519E95.6Very high97Very high132 Ų13244 Ų4462%0.61722%0.217SC*.  trans-125.7-22.6177.2-62.3-172.1164.900112.4K517 P521K517-E519 PolarHBondContact O-N 3.46Å; E519-P521 VanDerWaalsContact O-CD 3.32Å; E519-P521 WeakPolarHBondContact O-CD 3.26Å
520D97Very high97.2Very high31 Ų3141.2 Ų41.217%0.16621%0.207CC..  trans-56.2118.4176.2173.950.3000112T453 L522 A523 I524T453-D520 WeakPolarHBondContact CB-OD2 3.16Å; T453-D520 PolarHBondContact OG1-OD2 3.05Å; D520-L522 VanDerWaalsContact C-N 3.26Å; D520-L522 PolarHBondContact O-N 3.3Å; D520-A523 HydrophobicContact CB-CB 4.01Å; D520-A523 PolarHBondContact O-N 3.12Å; D520-A523 VanDerWaalsContact OD2-CB 3.3Å; D520-A523 WeakPolarHBondContact OD2-CB 3.45Å; D520-A523 PolarHBondContact OD2-N 3.17Å; D520-I524 WeakPolarHBondContact O-CG1 3.32Å; D520-I524 PolarHBondContact O-N 2.81Å
521P97.7Very high97.4Very high69 Ų6940.9 Ų40.945%0.44821%0.206SC..Hα-helixtrans-59-33.7-177.7-2836.3000113.9E519 L525 H615E519-P521 VanDerWaalsContact O-CD 3.32Å; E519-P521 WeakPolarHBondContact O-CD 3.26Å; P521-L525 WeakPolarHBondContact O-CB 3.09Å; P521-L525 PolarHBondContact O-N 3.41Å; P521-H615 HydrophobicContact CB-CB 3.98Å; P521-H615 HydrophobicContact CG-CB 4.49Å
522L97.4Very high97.6Very high65 Ų6541.7 Ų41.734%0.3420%0.203SC..Hα-helixtrans-72.2-43.6179.6-179.859.5000111.4L449 T453 D520 I524 L525 I526L449-L522 HydrophobicContact CD2-CD2 3.87Å; T453-L522 HydrophobicContact CG2-CD2 4.28Å; T453-L522 HydrophobicContact CG2-CG 4.2Å; D520-L522 VanDerWaalsContact C-N 3.26Å; D520-L522 PolarHBondContact O-N 3.3Å; L522-I524 VanDerWaalsContact C-N 3.34Å; L522-L525 HydrophobicContact CD1-CD2 4.45Å; L522-L525 PolarHBondContact O-N 3.41Å; L522-I526 HydrophobicContact CD1-CD1 4.05Å; L522-I526 HydrophobicContact CD1-CG1 4.29Å; L522-I526 HydrophobicContact CG-CD1 3.97Å; L522-I526 VanDerWaalsContact O-CG1 3.28Å; L522-I526 WeakPolarHBondContact O-CG1 3.16Å; L522-I526 PolarHBondContact O-N 3.09Å
523A98.2Very high97.7Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-59.9-45.2173.600000111.4T453 Y456 F457 V518 D520 L525 I526 L527T453-A523 HydrophobicContact CG2-CB 4.09Å; Y456-A523 HydrophobicContact CD2-CB 3.74Å; Y456-A523 HydrophobicContact CE2-CB 3.98Å; F457-A523 HydrophobicContact CE2-CB 4.13Å; F457-A523 HydrophobicContact CZ-CB 4.32Å; V518-A523 HydrophobicContact CG2-CB 3.67Å; D520-A523 HydrophobicContact CB-CB 4.01Å; D520-A523 PolarHBondContact O-N 3.12Å; D520-A523 VanDerWaalsContact OD2-CB 3.3Å; D520-A523 WeakPolarHBondContact OD2-CB 3.45Å; D520-A523 PolarHBondContact OD2-N 3.17Å; A523-L525 VanDerWaalsContact C-N 3.34Å; A523-L525 PolarHBondContact O-N 2.98Å; A523-I526 PolarHBondContact O-N 3.14Å; A523-L527 WeakPolarHBondContact O-CB 3.3Å; A523-L527 WeakPolarHBondContact O-CG 3.49Å; A523-L527 PolarHBondContact O-N 3.33Å
524I98.6Very high97.8Very high1 Ų139.4 Ų39.41%0.00519%0.194CC..Hα-helixtrans-57.8-47.4176-70.5165.6000110.7V518 D520 L522 I526 L527 F528 H615 Q618 R619 L622V518-I524 HydrophobicContact CG1-CG1 3.84Å; V518-I524 HydrophobicContact CG2-CG1 4.26Å; D520-I524 WeakPolarHBondContact O-CG1 3.32Å; D520-I524 PolarHBondContact O-N 2.81Å; L522-I524 VanDerWaalsContact C-N 3.34Å; I524-I526 PolarHBondContact O-N 3.04Å; I524-L527 PolarHBondContact O-N 2.71Å; I524-F528 WeakPolarHBondContact O-CB 3.49Å; I524-F528 PolarHBondContact O-N 2.77Å; I524-H615 HydrophobicContact CD1-CB 4.37Å; I524-H615 HydrophobicContact CG2-CB 4.4Å; I524-H615 WeakPolarHBondContact CG2-O 3.31Å; I524-Q618 HydrophobicContact CG2-CB 3.6Å; I524-R619 HydrophobicContact CD1-CB 4.33Å; I524-R619 HydrophobicContact CG2-CB 4.23Å; I524-L622 HydrophobicContact CG2-CD1 4.36Å
525L98.4Very high97.9Very high52 Ų5236.8 Ų36.827%0.27218%0.178SC..Hα-helixtrans-59.9-46.4179.117569.7000112P521 L522 A523 F528 D529 Q618P521-L525 WeakPolarHBondContact O-CB 3.09Å; P521-L525 PolarHBondContact O-N 3.41Å; L522-L525 HydrophobicContact CD1-CD2 4.45Å; L522-L525 PolarHBondContact O-N 3.41Å; A523-L525 VanDerWaalsContact C-N 3.34Å; A523-L525 PolarHBondContact O-N 2.98Å; L525-F528 PolarHBondContact O-N 3.26Å; L525-D529 PolarHBondContact O-N 2.84Å; L525-Q618 VanDerWaalsContact CD1-NE2 3.27Å
526I98.4Very high97.8Very high7 Ų738.6 Ų38.64%0.03619%0.187CC..Hα-helixtrans-65.9-44.9-178.7-62.6162.6000110.7T453 F457 L504 L522 A523 I524 F528 D529 E530T453-I526 HydrophobicContact CG2-CD1 4.42Å; F457-I526 HydrophobicContact CD1-CG2 3.83Å; F457-I526 HydrophobicContact CD2-CD1 4.41Å; F457-I526 HydrophobicContact CE1-CB 3.86Å; F457-I526 HydrophobicContact CE1-CG2 3.37Å; F457-I526 HydrophobicContact CE2-CB 4.16Å; F457-I526 HydrophobicContact CE2-CD1 3.95Å; F457-I526 HydrophobicContact CE2-CG2 4.23Å; F457-I526 HydrophobicContact CG-CG2 4.43Å; F457-I526 HydrophobicContact CZ-CB 3.57Å; F457-I526 HydrophobicContact CZ-CD1 4.25Å; F457-I526 HydrophobicContact CZ-CG2 3.61Å; L504-I526 HydrophobicContact CD2-CD1 4.05Å; L504-I526 HydrophobicContact CD2-CG2 4.5Å; L522-I526 HydrophobicContact CD1-CD1 4.05Å; L522-I526 HydrophobicContact CD1-CG1 4.29Å; L522-I526 HydrophobicContact CG-CD1 3.97Å; L522-I526 VanDerWaalsContact O-CG1 3.28Å; L522-I526 WeakPolarHBondContact O-CG1 3.16Å; L522-I526 PolarHBondContact O-N 3.09Å; A523-I526 PolarHBondContact O-N 3.14Å; I524-I526 PolarHBondContact O-N 3.04Å; I526-F528 VanDerWaalsContact C-N 3.33Å; I526-D529 PolarHBondContact O-N 3.44Å; I526-E530 PolarHBondContact O-N 2.99Å
527L98.8Very high97.7Very high3 Ų339.6 Ų39.62%0.01619%0.192CC..Hα-helixtrans-61.2-43.4175.1-73.3167.6000111.2F457 R506 E515 V518 A523 I524 E530 A531 L622F457-L527 HydrophobicContact CE1-CD2 3.79Å; F457-L527 HydrophobicContact CE1-CG 3.81Å; F457-L527 HydrophobicContact CZ-CD2 4.3Å; F457-L527 HydrophobicContact CZ-CG 3.84Å; R506-L527 HydrophobicContact CB-CD2 4.15Å; R506-L527 HydrophobicContact CG-CD2 3.88Å; E515-L527 HydrophobicContact CG-CD1 3.81Å; V518-L527 HydrophobicContact CG1-CD1 4.41Å; A523-L527 WeakPolarHBondContact O-CB 3.3Å; A523-L527 WeakPolarHBondContact O-CG 3.49Å; A523-L527 PolarHBondContact O-N 3.33Å; I524-L527 PolarHBondContact O-N 2.71Å; L527-E530 PolarHBondContact O-N 3.1Å; L527-A531 WeakPolarHBondContact O-CB 3.22Å; L527-A531 PolarHBondContact O-N 3.37Å; L527-L622 HydrophobicContact CB-CD1 3.75Å; L527-L622 HydrophobicContact CB-CD2 4.13Å
528F98.8Very high97.6Very high3 Ų332.4 Ų32.41%0.01316%0.163CC..Hα-helixtrans-59.6-46.9177.8163.5-98.2000111.8I524 L525 I526 E530 A531 R532 L554 I557 Q618 F621I524-F528 WeakPolarHBondContact O-CB 3.49Å; I524-F528 PolarHBondContact O-N 2.77Å; L525-F528 PolarHBondContact O-N 3.26Å; I526-F528 VanDerWaalsContact C-N 3.33Å; F528-E530 VanDerWaalsContact C-N 3.32Å; F528-E530 PolarHBondContact O-N 3.38Å; F528-A531 PolarHBondContact O-N 3.28Å; F528-R532 HydrophobicContact CZ-CB 4.48Å; F528-R532 VanDerWaalsContact O-CB 3.29Å; F528-R532 WeakPolarHBondContact O-CB 3.33Å; F528-R532 PolarHBondContact O-N 3.23Å; F528-L554 HydrophobicContact CE2-CD2 3.73Å; F528-L554 HydrophobicContact CZ-CD2 3.62Å; F528-I557 HydrophobicContact CD2-CD1 4.36Å; F528-I557 HydrophobicContact CE1-CG2 4.29Å; F528-I557 HydrophobicContact CE2-CD1 3.55Å; F528-I557 HydrophobicContact CZ-CD1 3.86Å; F528-I557 HydrophobicContact CZ-CG2 3.88Å; F528-Q618 HydrophobicContact CB-CB 3.98Å; F528-Q618 HydrophobicContact CB-CG 4.21Å; F528-Q618 HydrophobicContact CD1-CG 3.89Å; F528-Q618 HydrophobicContact CD2-CB 4.06Å; F528-Q618 HydrophobicContact CD2-CG 3.98Å; F528-Q618 HydrophobicContact CE1-CG 4.26Å; F528-Q618 HydrophobicContact CE2-CG 4.36Å; F528-Q618 HydrophobicContact CG-CB 3.93Å; F528-Q618 HydrophobicContact CG-CG 3.73Å; F528-Q618 HydrophobicContact CZ-CG 4.48Å; F528-F621 HydrophobicContact CD2-CB 4.07Å; F528-F621 AromaticContact CD2-CD1 3.56Å; F528-F621 HydrophobicContact CD2-CD1 3.56Å; F528-F621 HydrophobicContact CD2-CE1 4.18Å; F528-F621 AromaticContact CD2-CG 3.9Å; F528-F621 HydrophobicContact CD2-CG 3.9Å; F528-F621 HydrophobicContact CE2-CB 4.12Å; F528-F621 AromaticContact CE2-CD1 3.77Å; F528-F621 HydrophobicContact CE2-CD1 3.77Å; F528-F621 HydrophobicContact CE2-CD2 4.22Å; F528-F621 HydrophobicContact CE2-CE1 4.21Å; F528-F621 AromaticContact CE2-CG 3.77Å; F528-F621 HydrophobicContact CE2-CG 3.77Å
529D98.5Very high97.6Very high6 Ų634.3 Ų34.33%0.03217%0.17CC..Hα-helixtrans-62.6-40.3179.9-76.6-37.9000112.2R422 D424 L525 I526 R532 H533R422-D529 IonicContact CZ-OD2 3.85Å; R422-D529 IonicContact NH2-OD2 2.78Å; R422-D529 PolarHBondContact NH2-OD2 2.9Å; D424-D529 HydrophobicContact CB-CB 4.25Å; L525-D529 PolarHBondContact O-N 2.84Å; I526-D529 PolarHBondContact O-N 3.44Å; D529-R532 IonicContact OD1-CZ 2.96Å; D529-R532 IonicContact OD1-NE 3.58Å; D529-R532 IonicContact OD1-NH2 3.77Å; D529-R532 PolarHBondContact OD1-NH2 3.06Å; D529-H533 WeakPolarHBondContact O-CB 3.49Å; D529-H533 PolarHBondContact O-N 3.47Å
530E98.6Very high97.6Very high19 Ų1928.4 Ų28.49%0.08914%0.142CC..Hα-helixtrans-67.1-43174.7179.8159.8-162.800112.1M423 R505 R506 I526 L527 F528 H533 C534M423-E530 HydrophobicContact CB-CB 4.45Å; M423-E530 HydrophobicContact CG-CB 3.96Å; M423-E530 HydrophobicContact CG-CG 4.04Å; R505-E530 WeakPolarHBondContact CA-OE2 3.49Å; R505-E530 WeakPolarHBondContact CB-OE2 3.31Å; R505-E530 IonicContact CZ-OE1 2.98Å; R505-E530 VanDerWaalsContact CZ-OE1 3.26Å; R505-E530 IonicContact NE-OE1 3.02Å; R505-E530 PolarHBondContact NE-OE1 3.32Å; R505-E530 IonicContact NH2-OE1 3.17Å; R505-E530 PolarHBondContact NH2-OE1 3.17Å; R506-E530 WeakPolarHBondContact CB-OE2 3.4Å; R506-E530 PolarHBondContact N-OE2 2.94Å; I526-E530 PolarHBondContact O-N 2.99Å; L527-E530 PolarHBondContact O-N 3.1Å; F528-E530 VanDerWaalsContact C-N 3.32Å; F528-E530 PolarHBondContact O-N 3.38Å; E530-H533 WeakPolarHBondContact O-CB 3.39Å; E530-H533 PolarHBondContact O-N 3.26Å; E530-C534 PolarHBondContact O-N 2.98Å; E530-C534 PolarHBondContact O-SG 3.15Å; E530-C534 VanDerWaalsContact O-SG 3.39Å
531A98.7Very high97.4Very high3 Ų328.4 Ų28.43%0.02514%0.144CC..Hα-helixtrans-63.3-42.8176.400000112L527 F528 C534 L535 F540 F621 L622 Y631L527-A531 WeakPolarHBondContact O-CB 3.22Å; L527-A531 PolarHBondContact O-N 3.37Å; F528-A531 PolarHBondContact O-N 3.28Å; A531-C534 PolarHBondContact O-N 2.92Å; A531-L535 WeakPolarHBondContact O-CB 3.35Å; A531-L535 PolarHBondContact O-N 2.85Å; A531-F540 HydrophobicContact CB-CE2 4.17Å; A531-F540 HydrophobicContact CB-CZ 4.35Å; A531-F540 WeakPolarHBondContact O-CE2 3.36Å; A531-F621 HydrophobicContact CB-CE1 3.98Å; A531-L622 HydrophobicContact CB-CD2 3.66Å; A531-Y631 HydrophobicContact CB-CE2 4.27Å
532R98.6Very high97.2Very high61 Ų6126.3 Ų26.323%0.2313%0.132CC..Hα-helixtrans-60.6-45.4173.6178.2174.862.2155.6-3.9110.8F528 D529 C534 L535 L536 L554 F621F528-R532 HydrophobicContact CZ-CB 4.48Å; F528-R532 VanDerWaalsContact O-CB 3.29Å; F528-R532 WeakPolarHBondContact O-CB 3.33Å; F528-R532 PolarHBondContact O-N 3.23Å; D529-R532 IonicContact OD1-CZ 2.96Å; D529-R532 IonicContact OD1-NE 3.58Å; D529-R532 IonicContact OD1-NH2 3.77Å; D529-R532 PolarHBondContact OD1-NH2 3.06Å; R532-C534 PolarHBondContact O-N 3.18Å; R532-L535 WeakPolarHBondContact O-CB 3.38Å; R532-L535 PolarHBondContact O-N 2.82Å; R532-L536 HydrophobicContact CG-CD1 4.11Å; R532-L536 HydrophobicContact CG-CG 4.39Å; R532-L536 WeakPolarHBondContact O-CG 3.27Å; R532-L536 PolarHBondContact O-N 2.98Å; R532-L554 HydrophobicContact CG-CD1 4.43Å; R532-L554 HydrophobicContact CG-CD2 4.07Å; R532-F621 HydrophobicContact CB-CE1 4.5Å; R532-F621 HydrophobicContact CB-CZ 4.46Å
533H97.7Very high97.1Very high52 Ų5227.1 Ų27.124%0.24114%0.142CC..Hα-helixtrans-57.9-47.9175.8-177.499.8000111.7M423 D529 E530 L535 L536 K537M423-H533 HydrophobicContact CB-CB 3.89Å; M423-H533 HydrophobicContact CE-CB 4.42Å; M423-H533 WeakPolarHBondContact CE-CD2 3.03Å; M423-H533 VanDerWaalsContact CE-NE2 3.32Å; M423-H533 WeakPolarHBondContact CE-NE2 3.48Å; M423-H533 PolarHBondContact O-ND1 2.78Å; D529-H533 WeakPolarHBondContact O-CB 3.49Å; D529-H533 PolarHBondContact O-N 3.47Å; E530-H533 WeakPolarHBondContact O-CB 3.39Å; E530-H533 PolarHBondContact O-N 3.26Å; H533-L535 VanDerWaalsContact C-N 3.35Å; H533-L535 PolarHBondContact O-N 2.77Å; H533-L536 PolarHBondContact O-N 2.8Å; H533-K537 WeakPolarHBondContact O-CB 3.19Å; H533-K537 WeakPolarHBondContact O-CG 3.06Å; H533-K537 PolarHBondContact O-N 3.38Å
534C97.6Very high97Very high15 Ų1529.4 Ų29.410%0.10115%0.154CC..Hα-helixtrans-60.3-42.2177.2-740000112.5E530 A531 R532 G538 Y539 F540E530-C534 PolarHBondContact O-N 2.98Å; E530-C534 PolarHBondContact O-SG 3.15Å; E530-C534 VanDerWaalsContact O-SG 3.39Å; A531-C534 PolarHBondContact O-N 2.92Å; R532-C534 PolarHBondContact O-N 3.18Å; C534-G538 PolarHBondContact O-N 2.73Å; C534-Y539 PolarHBondContact O-N 3.23Å; C534-F540 HydrophobicContact CB-CD1 4.03Å; C534-F540 HydrophobicContact CB-CE1 3.59Å; C534-F540 HydrophobicContact CB-CE2 4.13Å; C534-F540 HydrophobicContact CB-CG 4.47Å; C534-F540 HydrophobicContact CB-CZ 3.63Å
535L97.9Very high96.9Very high1 Ų132.3 Ų32.31%0.00517%0.174CC..Hα-helixtrans-59-54.5174.8177.167.4000111.4A531 R532 H533 K537 G538 F540 L547 L550 L554 P582 F621A531-L535 WeakPolarHBondContact O-CB 3.35Å; A531-L535 PolarHBondContact O-N 2.85Å; R532-L535 WeakPolarHBondContact O-CB 3.38Å; R532-L535 PolarHBondContact O-N 2.82Å; H533-L535 VanDerWaalsContact C-N 3.35Å; H533-L535 PolarHBondContact O-N 2.77Å; L535-K537 VanDerWaalsContact C-N 3.3Å; L535-K537 PolarHBondContact O-N 3.32Å; L535-G538 WeakPolarHBondContact O-CA 3.5Å; L535-G538 PolarHBondContact O-N 2.82Å; L535-F540 HydrophobicContact CB-CD2 4.04Å; L535-F540 HydrophobicContact CD1-CB 4.35Å; L535-F540 HydrophobicContact CD1-CD2 4.48Å; L535-L547 HydrophobicContact CD1-CD2 3.58Å; L535-L550 HydrophobicContact CD1-CD1 3.92Å; L535-L550 HydrophobicContact CD2-CB 3.96Å; L535-L550 HydrophobicContact CD2-CD1 4.19Å; L535-L554 HydrophobicContact CD2-CD1 4Å; L535-P582 HydrophobicContact CD1-CG 3.98Å; L535-P582 HydrophobicContact CG-CG 4.48Å; L535-P582 WeakPolarHBondContact O-CB 3.46Å; L535-P582 WeakPolarHBondContact O-CG 3.4Å; L535-F621 HydrophobicContact CD2-CE2 3.95Å; L535-F621 HydrophobicContact CD2-CZ 3.71Å
536L97Very high96.8Very high39 Ų3931.6 Ų31.620%0.20417%0.169CC..Hα-helixtrans-64.6-34.9-175.2-64-178.8000112.3R532 H533 G538 V581 I583R532-L536 HydrophobicContact CG-CD1 4.11Å; R532-L536 HydrophobicContact CG-CG 4.39Å; R532-L536 WeakPolarHBondContact O-CG 3.27Å; R532-L536 PolarHBondContact O-N 2.98Å; H533-L536 PolarHBondContact O-N 2.8Å; L536-G538 PolarHBondContact O-N 3.4Å; L536-V581 WeakPolarHBondContact CD2-O 3.29Å; L536-I583 PolarHBondContact O-N 3.49Å
537K95.1Very high96.7Very high115 Ų11531.5 Ų31.550%0.517%0.168SC..Hα-helixtrans-76.2-7.7174-67.8-68-174.6172.80113.9H533 L535 Y539H533-K537 WeakPolarHBondContact O-CB 3.19Å; H533-K537 WeakPolarHBondContact O-CG 3.06Å; H533-K537 PolarHBondContact O-N 3.38Å; L535-K537 VanDerWaalsContact C-N 3.3Å; L535-K537 PolarHBondContact O-N 3.32Å; K537-Y539 HydrophobicContact CB-CD2 3.58Å; K537-Y539 HydrophobicContact CB-CE2 3.61Å; K537-Y539 HydrophobicContact CG-CE2 4.37Å
538G94.9Very high96.7Very high7 Ų731.3 Ų31.37%0.07217%0.167CC..THydrogen-bonded Turntrans81.719.8177.200000114.6C534 L535 L536 F540 K671C534-G538 PolarHBondContact O-N 2.73Å; L535-G538 WeakPolarHBondContact O-CA 3.5Å; L535-G538 PolarHBondContact O-N 2.82Å; L536-G538 PolarHBondContact O-N 3.4Å; G538-F540 PolarHBondContact O-N 3.06Å; G538-K671 WeakPolarHBondContact O-CB 3.27Å
539Y95.8Very high96.7Very high40 Ų4033 Ų3316%0.15718%0.178CC..  trans-75.8-8.5175.2-70.4-69.3000113.6C534 K537 P541 T630 F635 Y655 M666C534-Y539 PolarHBondContact O-N 3.23Å; K537-Y539 HydrophobicContact CB-CD2 3.58Å; K537-Y539 HydrophobicContact CB-CE2 3.61Å; K537-Y539 HydrophobicContact CG-CE2 4.37Å; Y539-P541 VanDerWaalsContact O-CD 3.23Å; Y539-P541 WeakPolarHBondContact O-CD 3.35Å; Y539-T630 PolarHBondContact O-OG1 3.03Å; Y539-F635 HydrophobicContact CD1-CD1 4.25Å; Y539-F635 AromaticContact CD1-CD2 3.77Å; Y539-F635 HydrophobicContact CD1-CD2 3.77Å; Y539-F635 HydrophobicContact CD1-CE1 4.05Å; Y539-F635 AromaticContact CD1-CE2 3.56Å; Y539-F635 HydrophobicContact CD1-CE2 3.56Å; Y539-F635 HydrophobicContact CD1-CG 4.09Å; Y539-F635 AromaticContact CD1-CZ 3.68Å; Y539-F635 HydrophobicContact CD1-CZ 3.68Å; Y539-F635 HydrophobicContact CE1-CD2 4.19Å; Y539-F635 HydrophobicContact CE1-CE2 4.42Å; Y539-F635 HydrophobicContact CE1-CG 4.24Å; Y539-F635 HydrophobicContact CG-CD2 4.26Å; Y539-F635 AromaticContact CG-CE2 3.81Å; Y539-F635 HydrophobicContact CG-CE2 3.81Å; Y539-F635 HydrophobicContact CG-CZ 4.15Å; Y539-Y655 HydrophobicContact CE1-CD1 4.47Å; Y539-Y655 HydrophobicContact CE1-CD2 4.34Å; Y539-Y655 HydrophobicContact CE1-CE1 4.36Å; Y539-Y655 HydrophobicContact CE1-CE2 4.24Å; Y539-Y655 HydrophobicContact CE1-CG 4.45Å; Y539-M666 HydrophobicContact CD1-CE 3.6Å; Y539-M666 HydrophobicContact CE1-CE 4.11Å
540F96.8Very high96.7Very high8 Ų832.8 Ų32.84%0.03518%0.177CC..  trans-104.994.3178.3-75.7-1.4000111A531 C534 L535 G538 A542 C625 I628 Y631A531-F540 HydrophobicContact CB-CE2 4.17Å; A531-F540 HydrophobicContact CB-CZ 4.35Å; A531-F540 WeakPolarHBondContact O-CE2 3.36Å; C534-F540 HydrophobicContact CB-CD1 4.03Å; C534-F540 HydrophobicContact CB-CE1 3.59Å; C534-F540 HydrophobicContact CB-CE2 4.13Å; C534-F540 HydrophobicContact CB-CG 4.47Å; C534-F540 HydrophobicContact CB-CZ 3.63Å; L535-F540 HydrophobicContact CB-CD2 4.04Å; L535-F540 HydrophobicContact CD1-CB 4.35Å; L535-F540 HydrophobicContact CD1-CD2 4.48Å; G538-F540 PolarHBondContact O-N 3.06Å; F540-A542 PolarHBondContact O-N 3.49Å; F540-C625 HydrophobicContact CE2-CB 3.97Å; F540-I628 HydrophobicContact CB-CD1 3.89Å; F540-I628 HydrophobicContact CB-CG2 3.95Å; F540-I628 HydrophobicContact CD1-CG2 4.16Å; F540-I628 HydrophobicContact CD2-CD1 3.76Å; F540-I628 HydrophobicContact CG-CD1 3.93Å; F540-I628 HydrophobicContact CG-CG2 4.08Å; F540-Y631 HydrophobicContact CE1-CD2 4.24Å; F540-Y631 HydrophobicContact CE2-CD2 4.27Å; F540-Y631 AromaticContact CZ-CD2 3.64Å; F540-Y631 HydrophobicContact CZ-CD2 3.64Å; F540-Y631 HydrophobicContact CZ-CE2 4.14Å
541P93.1Very high96.7Very high30 Ų3031.9 Ų31.920%0.19517%0.172CC..  trans-73.9110.6173.831.2-31.3000108.9Y539 T630 L673Y539-P541 VanDerWaalsContact O-CD 3.23Å; Y539-P541 WeakPolarHBondContact O-CD 3.35Å; P541-T630 WeakPolarHBondContact CD-OG1 3.19Å; P541-T630 HydrophobicContact CG-CG2 4.21Å; P541-L673 HydrophobicContact CB-CB 3.74Å; P541-L673 HydrophobicContact CB-CD2 4.44Å; P541-L673 HydrophobicContact CG-CB 3.85Å; P541-L673 HydrophobicContact CG-CD1 4.25Å; P541-L673 HydrophobicContact CG-CD2 3.98Å; P541-L673 HydrophobicContact CG-CG 4.27Å
542A93.3Very high96.6Very high25 Ų2531.8 Ų31.821%0.20717%0.172CC..  trans-141.1153.8-178.300000110.8F540 K546 L547 I628F540-A542 PolarHBondContact O-N 3.49Å; A542-K546 HydrophobicContact CB-CB 4.13Å; A542-K546 HydrophobicContact CB-CG 4.02Å; A542-L547 HydrophobicContact CB-CD2 3.95Å; A542-L547 HydrophobicContact CB-CG 4.15Å; A542-I628 HydrophobicContact CB-CD1 4.29Å
543P94.3Very high96.6Very high83 Ų8329 Ų2954%0.53916%0.161SC..  trans-64.5154.8174.927.7-34.6000111.2S545 K546 L547P543-S545 PolarHBondContact O-N 2.94Å; P543-S545 VanDerWaalsContact O-N 3.11Å; P543-K546 HydrophobicContact CG-CB 3.96Å; P543-K546 PolarHBondContact O-N 3.47Å; P543-L547 PolarHBondContact O-N 2.92Å; P543-L547 VanDerWaalsContact O-N 3.13Å
544D95.6Very high96.6Very high47 Ų4726.5 Ų26.525%0.25115%0.15SC..Hα-helixtrans-54-36.2-177.3-662.5000111.8L547 I548 K589 W593D544-L547 PolarHBondContact O-N 3.13Å; D544-I548 WeakPolarHBondContact O-CB 3.22Å; D544-I548 WeakPolarHBondContact O-CD1 3.18Å; D544-I548 WeakPolarHBondContact O-CG1 3.31Å; D544-I548 PolarHBondContact O-N 3.29Å; D544-K589 VanDerWaalsContact CG-NZ 3.31Å; D544-K589 IonicContact OD1-NZ 2.8Å; D544-K589 PolarHBondContact OD1-NZ 3.24Å; D544-K589 IonicContact OD2-NZ 2.76Å; D544-K589 PolarHBondContact OD2-NZ 3.27Å; D544-W593 HydrophobicContact CB-CZ2 3.77Å; D544-W593 WeakPolarHBondContact OD1-CZ2 3.2Å
545S96.4Very high96.6Very high62 Ų6225.8 Ų25.843%0.43415%0.145SC..Hα-helixtrans-59.8-48.7175.450.60000113P543 L547 I548 T549P543-S545 PolarHBondContact O-N 2.94Å; P543-S545 VanDerWaalsContact O-N 3.11Å; S545-L547 VanDerWaalsContact C-N 3.34Å; S545-L547 PolarHBondContact O-N 3.49Å; S545-I548 WeakPolarHBondContact O-CB 3.28Å; S545-I548 PolarHBondContact O-N 3.32Å; S545-T549 PolarHBondContact O-N 2.96Å; S545-T549 VanDerWaalsContact O-N 3.08Å; S545-T549 PolarHBondContact O-OG1 2.77Å
546K97Very high96.6Very high37 Ų3726.1 Ų26.116%0.16115%0.146CC..Hα-helixtrans-63.5-41.3178.6-179.57275.5143.60111.4A542 P543 I548 T549 L550 N624 D627A542-K546 HydrophobicContact CB-CB 4.13Å; A542-K546 HydrophobicContact CB-CG 4.02Å; P543-K546 HydrophobicContact CG-CB 3.96Å; P543-K546 PolarHBondContact O-N 3.47Å; K546-I548 VanDerWaalsContact C-N 3.3Å; K546-I548 PolarHBondContact O-N 3.04Å; K546-T549 PolarHBondContact O-N 3.42Å; K546-L550 HydrophobicContact CG-CD1 4.31Å; K546-L550 WeakPolarHBondContact O-CG 3.38Å; K546-L550 PolarHBondContact O-N 3.25Å; K546-N624 HydrophobicContact CD-CB 4.28Å; K546-N624 WeakPolarHBondContact CD-O 2.99Å; K546-N624 PolarHBondContact NZ-O 2.82Å; K546-D627 WeakPolarHBondContact CE-OD2 3.3Å; K546-D627 IonicContact NZ-OD1 3.32Å; K546-D627 PolarHBondContact NZ-OD1 2.94Å; K546-D627 IonicContact NZ-OD2 2.74Å; K546-D627 PolarHBondContact NZ-OD2 3.41Å
547L97.3Very high96.6Very high5 Ų525 Ų253%0.02614%0.141CC..Hα-helixtrans-63.9-36.3177.2-65178.6000112.2L535 A542 P543 D544 S545 L550 A551 P582 W593L535-L547 HydrophobicContact CD1-CD2 3.58Å; A542-L547 HydrophobicContact CB-CD2 3.95Å; A542-L547 HydrophobicContact CB-CG 4.15Å; P543-L547 PolarHBondContact O-N 2.92Å; P543-L547 VanDerWaalsContact O-N 3.13Å; D544-L547 PolarHBondContact O-N 3.13Å; S545-L547 VanDerWaalsContact C-N 3.34Å; S545-L547 PolarHBondContact O-N 3.49Å; L547-L550 PolarHBondContact O-N 3.46Å; L547-A551 WeakPolarHBondContact O-CB 3.2Å; L547-A551 PolarHBondContact O-N 2.91Å; L547-P582 HydrophobicContact CD1-CG 4.25Å; L547-P582 HydrophobicContact CD2-CG 3.9Å; L547-W593 HydrophobicContact CB-CH2 4.43Å; L547-W593 HydrophobicContact CB-CZ3 4.17Å; L547-W593 HydrophobicContact CD1-CH2 3.82Å; L547-W593 HydrophobicContact CD1-CZ3 4.2Å
548I98.3Very high96.6Very high0 Ų022.8 Ų22.80%013%0.133CC..Hα-helixtrans-64.7-44.1174.9-71.9165000110.8D544 S545 K546 A551 S552 W593 R596 I597 E600D544-I548 WeakPolarHBondContact O-CB 3.22Å; D544-I548 WeakPolarHBondContact O-CD1 3.18Å; D544-I548 WeakPolarHBondContact O-CG1 3.31Å; D544-I548 PolarHBondContact O-N 3.29Å; S545-I548 WeakPolarHBondContact O-CB 3.28Å; S545-I548 PolarHBondContact O-N 3.32Å; K546-I548 VanDerWaalsContact C-N 3.3Å; K546-I548 PolarHBondContact O-N 3.04Å; I548-A551 PolarHBondContact O-N 2.93Å; I548-S552 PolarHBondContact O-N 3.06Å; I548-W593 HydrophobicContact CD1-CB 4.07Å; I548-W593 HydrophobicContact CD1-CD2 4.32Å; I548-W593 HydrophobicContact CD1-CG 3.88Å; I548-W593 HydrophobicContact CG1-CB 3.95Å; I548-W593 HydrophobicContact CG1-CD2 4.12Å; I548-W593 HydrophobicContact CG1-CE3 4.33Å; I548-W593 HydrophobicContact CG1-CG 3.96Å; I548-R596 HydrophobicContact CD1-CB 4.17Å; I548-R596 HydrophobicContact CG2-CB 4.04Å; I548-I597 HydrophobicContact CB-CG1 4.28Å; I548-I597 HydrophobicContact CG1-CG1 4.13Å; I548-I597 HydrophobicContact CG2-CG1 3.85Å; I548-E600 WeakPolarHBondContact CG2-OE1 3.5Å
549T98Very high96.7Very high39 Ų3926.4 Ų26.424%0.23915%0.146CC..Hα-helixtrans-64.3-41.5176-56.40000112.6S545 K546 A551 S552 L553 E600S545-T549 PolarHBondContact O-N 2.96Å; S545-T549 VanDerWaalsContact O-N 3.08Å; S545-T549 PolarHBondContact O-OG1 2.77Å; K546-T549 PolarHBondContact O-N 3.42Å; T549-A551 VanDerWaalsContact C-N 3.33Å; T549-A551 PolarHBondContact O-N 2.97Å; T549-S552 PolarHBondContact O-N 2.85Å; T549-S552 PolarHBondContact O-OG 3.17Å; T549-L553 HydrophobicContact CG2-CD1 4.46Å; T549-L553 WeakPolarHBondContact O-CG 3.4Å; T549-L553 PolarHBondContact O-N 2.76Å; T549-E600 WeakPolarHBondContact CA-OE2 3.38Å; T549-E600 WeakPolarHBondContact CB-OE2 3.22Å; T549-E600 PolarHBondContact OG1-OE2 2.93Å
550L98.4Very high96.6Very high0 Ų025.9 Ų25.90%015%0.152CC..Hα-helixtrans-63.6-39.8174.1-70.2172.4000111.6L535 K546 L547 L553 L554 F621 N624 I628L535-L550 HydrophobicContact CD1-CD1 3.92Å; L535-L550 HydrophobicContact CD2-CB 3.96Å; L535-L550 HydrophobicContact CD2-CD1 4.19Å; K546-L550 HydrophobicContact CG-CD1 4.31Å; K546-L550 WeakPolarHBondContact O-CG 3.38Å; K546-L550 PolarHBondContact O-N 3.25Å; L547-L550 PolarHBondContact O-N 3.46Å; L550-L553 PolarHBondContact O-N 3.1Å; L550-L554 WeakPolarHBondContact O-CG 3.37Å; L550-L554 PolarHBondContact O-N 3.26Å; L550-F621 HydrophobicContact CB-CD2 4.43Å; L550-F621 HydrophobicContact CB-CE2 3.89Å; L550-F621 HydrophobicContact CD2-CD2 3.65Å; L550-F621 HydrophobicContact CD2-CE2 3.6Å; L550-F621 HydrophobicContact CD2-CG 4.15Å; L550-F621 HydrophobicContact CD2-CZ 4.07Å; L550-F621 HydrophobicContact CG-CE2 4.28Å; L550-N624 HydrophobicContact CD2-CB 3.53Å; L550-N624 HydrophobicContact CG-CB 4.38Å; L550-I628 HydrophobicContact CD1-CD1 4.26Å
551A98.3Very high96.5Very high0 Ų029.7 Ų29.70%017%0.173CC..Hα-helixtrans-65.9-39.9177.200000112.4L547 I548 T549 L554 L555 I580 V581 I597L547-A551 WeakPolarHBondContact O-CB 3.2Å; L547-A551 PolarHBondContact O-N 2.91Å; I548-A551 PolarHBondContact O-N 2.93Å; T549-A551 VanDerWaalsContact C-N 3.33Å; T549-A551 PolarHBondContact O-N 2.97Å; A551-L554 PolarHBondContact O-N 2.95Å; A551-L555 WeakPolarHBondContact O-CG 3.2Å; A551-L555 PolarHBondContact O-N 3.5Å; A551-I580 HydrophobicContact CB-CB 4.2Å; A551-I580 HydrophobicContact CB-CD1 4.2Å; A551-I580 HydrophobicContact CB-CG1 4.2Å; A551-V581 HydrophobicContact CB-CG1 3.96Å; A551-I597 HydrophobicContact CB-CD1 3.99Å; A551-I597 HydrophobicContact CB-CG1 4.17Å; A551-I597 HydrophobicContact CB-CG2 4.18Å
552S97.9Very high96.6Very high1 Ų130 Ų301%0.00717%0.171CC..Hα-helixtrans-67.3-37.9176.969.40000112.2I548 T549 L555 Q556I548-S552 PolarHBondContact O-N 3.06Å; T549-S552 PolarHBondContact O-N 2.85Å; T549-S552 PolarHBondContact O-OG 3.17Å; S552-L555 PolarHBondContact O-N 3.32Å; S552-Q556 PolarHBondContact O-N 2.85Å; S552-Q556 VanDerWaalsContact O-N 3.07Å
553L97.9Very high96.8Very high2 Ų232.9 Ų32.91%0.0118%0.18CC..Hα-helixtrans-62.9-43171-73169.9000112T549 L550 L555 Q556 I557 L604 L620 F621T549-L553 HydrophobicContact CG2-CD1 4.46Å; T549-L553 WeakPolarHBondContact O-CG 3.4Å; T549-L553 PolarHBondContact O-N 2.76Å; L550-L553 PolarHBondContact O-N 3.1Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 3.44Å; L553-Q556 PolarHBondContact O-N 3.44Å; L553-I557 WeakPolarHBondContact O-CB 3.45Å; L553-I557 VanDerWaalsContact O-CG1 3.28Å; L553-I557 WeakPolarHBondContact O-CG1 3Å; L553-I557 PolarHBondContact O-N 3.4Å; L553-L604 HydrophobicContact CD2-CD1 3.84Å; L553-L604 HydrophobicContact CD2-CD2 4.2Å; L553-L604 HydrophobicContact CG-CD1 4.17Å; L553-L620 HydrophobicContact CD1-CG 4.25Å; L553-L620 HydrophobicContact CD2-CD2 3.65Å; L553-L620 HydrophobicContact CD2-CG 3.97Å; L553-F621 HydrophobicContact CB-CD2 4.22Å; L553-F621 HydrophobicContact CD1-CB 4.39Å
554L98.3Very high96.7Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-63.3-37.1175.6-72.4175.4000112.2F528 R532 L535 L550 A551 I557 I558 I580 F621F528-L554 HydrophobicContact CE2-CD2 3.73Å; F528-L554 HydrophobicContact CZ-CD2 3.62Å; R532-L554 HydrophobicContact CG-CD1 4.43Å; R532-L554 HydrophobicContact CG-CD2 4.07Å; L535-L554 HydrophobicContact CD2-CD1 4Å; L550-L554 WeakPolarHBondContact O-CG 3.37Å; L550-L554 PolarHBondContact O-N 3.26Å; A551-L554 PolarHBondContact O-N 2.95Å; L554-I557 PolarHBondContact O-N 2.91Å; L554-I558 HydrophobicContact CB-CD1 4.35Å; L554-I558 VanDerWaalsContact O-CB 3.32Å; L554-I558 WeakPolarHBondContact O-CB 3.44Å; L554-I558 WeakPolarHBondContact O-CD1 3.14Å; L554-I558 WeakPolarHBondContact O-CG1 3.42Å; L554-I558 PolarHBondContact O-N 2.89Å; L554-I580 HydrophobicContact CB-CB 4.14Å; L554-I580 HydrophobicContact CB-CG2 3.78Å; L554-I580 HydrophobicContact CD1-CB 4.25Å; L554-F621 HydrophobicContact CD1-CE2 3.86Å; L554-F621 HydrophobicContact CD1-CZ 4.37Å; L554-F621 HydrophobicContact CD2-CD2 4.06Å; L554-F621 HydrophobicContact CD2-CE2 3.73Å; L554-F621 HydrophobicContact CD2-CZ 4.26Å; L554-F621 HydrophobicContact CG-CD2 4.05Å; L554-F621 HydrophobicContact CG-CE2 3.56Å; L554-F621 HydrophobicContact CG-CZ 4.39Å
555L97.6Very high96.6Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-61.5-45.5173-72.6179.6000111.7A551 S552 L553 I557 I558 Y559 F571 L572 I580 I597 Y601A551-L555 WeakPolarHBondContact O-CG 3.2Å; A551-L555 PolarHBondContact O-N 3.5Å; S552-L555 PolarHBondContact O-N 3.32Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 3.44Å; L555-I557 VanDerWaalsContact C-N 3.32Å; L555-I557 PolarHBondContact O-N 3.26Å; L555-I558 PolarHBondContact O-N 3.38Å; L555-Y559 HydrophobicContact CD2-CD2 3.63Å; L555-Y559 HydrophobicContact CD2-CE2 3.62Å; L555-Y559 WeakPolarHBondContact O-CB 3.25Å; L555-Y559 PolarHBondContact O-N 2.89Å; L555-F571 HydrophobicContact CD1-CE1 4.49Å; L555-F571 HydrophobicContact CD2-CE1 3.81Å; L555-F571 HydrophobicContact CD2-CZ 4.16Å; L555-L572 HydrophobicContact CD1-CD2 4.11Å; L555-L572 HydrophobicContact CD2-CD2 4.15Å; L555-I580 HydrophobicContact CD1-CD1 4.16Å; L555-I580 HydrophobicContact CD2-CD1 3.78Å; L555-I580 HydrophobicContact CD2-CG2 4.12Å; L555-I580 HydrophobicContact CG-CD1 3.84Å; L555-I580 HydrophobicContact CG-CG2 4.47Å; L555-I597 HydrophobicContact CD1-CG2 3.56Å; L555-Y601 HydrophobicContact CB-CD1 3.82Å; L555-Y601 HydrophobicContact CB-CD2 3.93Å; L555-Y601 HydrophobicContact CB-CE1 3.97Å; L555-Y601 HydrophobicContact CB-CE2 4.1Å; L555-Y601 HydrophobicContact CB-CG 3.82Å; L555-Y601 HydrophobicContact CD1-CD1 3.64Å; L555-Y601 HydrophobicContact CD1-CE1 4.28Å; L555-Y601 HydrophobicContact CD1-CG 4.01Å; L555-Y601 HydrophobicContact CG-CD1 4.36Å
556Q96.6Very high96.5Very high8 Ų842.9 Ų42.94%0.03721%0.213CC..Hα-helixtrans-62.6-38.6176.7-175.668.74500112.2S552 L553 G560 N561 Y601 S605 L617S552-Q556 PolarHBondContact O-N 2.85Å; S552-Q556 VanDerWaalsContact O-N 3.07Å; L553-Q556 PolarHBondContact O-N 3.44Å; Q556-G560 PolarHBondContact NE2-O 3.09Å; Q556-G560 VanDerWaalsContact O-CA 3.26Å; Q556-G560 WeakPolarHBondContact O-CA 3.45Å; Q556-G560 PolarHBondContact O-N 3.45Å; Q556-G560 VanDerWaalsContact O-N 3.12Å; Q556-G560 PolarHBondContact OE1-O 3.26Å; Q556-N561 PolarHBondContact NE2-OD1 3.44Å; Q556-Y601 HydrophobicContact CB-CD2 4.16Å; Q556-Y601 HydrophobicContact CB-CE2 4.03Å; Q556-S605 PolarHBondContact OE1-OG 2.91Å; Q556-L617 HydrophobicContact CG-CD1 3.83Å; Q556-L617 HydrophobicContact CG-CD2 3.98Å
557I97.3Very high96.4Very high17 Ų1741.5 Ų41.59%0.08721%0.207CC..Hα-helixtrans-69.8-43.2178.4-71.5166.5000111.7F528 L553 L554 L555 M614 L617 Q618 F621F528-I557 HydrophobicContact CD2-CD1 4.36Å; F528-I557 HydrophobicContact CE1-CG2 4.29Å; F528-I557 HydrophobicContact CE2-CD1 3.55Å; F528-I557 HydrophobicContact CZ-CD1 3.86Å; F528-I557 HydrophobicContact CZ-CG2 3.88Å; L553-I557 WeakPolarHBondContact O-CB 3.45Å; L553-I557 VanDerWaalsContact O-CG1 3.28Å; L553-I557 WeakPolarHBondContact O-CG1 3Å; L553-I557 PolarHBondContact O-N 3.4Å; L554-I557 PolarHBondContact O-N 2.91Å; L555-I557 VanDerWaalsContact C-N 3.32Å; L555-I557 PolarHBondContact O-N 3.26Å; I557-M614 HydrophobicContact CG2-SD 3.82Å; I557-L617 HydrophobicContact CD1-CB 4.25Å; I557-L617 HydrophobicContact CG1-CB 3.74Å; I557-L617 HydrophobicContact CG1-CD1 4.5Å; I557-Q618 HydrophobicContact CD1-CG 4.23Å; I557-F621 HydrophobicContact CD1-CB 4.3Å
558I96.1Very high95.9Very high67 Ų6748.5 Ų48.534%0.34424%0.238SC..Hα-helixtrans-84.1-42.1-172.8-63.7166.4000111.7L554 L555 I580L554-I558 HydrophobicContact CB-CD1 4.35Å; L554-I558 VanDerWaalsContact O-CB 3.32Å; L554-I558 WeakPolarHBondContact O-CB 3.44Å; L554-I558 WeakPolarHBondContact O-CD1 3.14Å; L554-I558 WeakPolarHBondContact O-CG1 3.42Å; L554-I558 PolarHBondContact O-N 2.89Å; L555-I558 PolarHBondContact O-N 3.38Å; I558-I580 HydrophobicContact CD1-CG2 4.27Å
559Y95.7Very high95.3Very high84 Ų8457.4 Ų57.433%0.32928%0.279SS..Hα-helixtrans-110.3-4.2-170.5-56.9-83.5000113.6L555 F571 N576L555-Y559 HydrophobicContact CD2-CD2 3.63Å; L555-Y559 HydrophobicContact CD2-CE2 3.62Å; L555-Y559 WeakPolarHBondContact O-CB 3.25Å; L555-Y559 PolarHBondContact O-N 2.89Å; Y559-F571 HydrophobicContact CD1-CE2 4.33Å; Y559-F571 HydrophobicContact CD1-CZ 4.09Å; Y559-F571 AromaticContact CD2-CZ 3.99Å; Y559-F571 HydrophobicContact CD2-CZ 3.99Å; Y559-F571 HydrophobicContact CE1-CE2 4.22Å; Y559-F571 HydrophobicContact CE1-CZ 4.11Å; Y559-F571 HydrophobicContact CE2-CZ 4.03Å; Y559-F571 HydrophobicContact CG-CZ 4.03Å; Y559-N576 PolarHBondContact OH-ND2 3.28Å
560G94.9Very high94.8Very high29 Ų2958.8 Ų58.830%0.29930%0.301SS..  trans73.6-146.5-17800000112.4Q556 Y601Q556-G560 PolarHBondContact NE2-O 3.09Å; Q556-G560 VanDerWaalsContact O-CA 3.26Å; Q556-G560 WeakPolarHBondContact O-CA 3.45Å; Q556-G560 PolarHBondContact O-N 3.45Å; Q556-G560 VanDerWaalsContact O-N 3.12Å; Q556-G560 PolarHBondContact OE1-O 3.26Å; G560-Y601 WeakPolarHBondContact O-CE2 3.3Å; G560-Y601 PolarHBondContact O-OH 3.21Å
561N94.8Very high94.6Very high88 Ų8860.1 Ų60.147%0.47131%0.307SS..SBendtrans-70.2144.1-175.7-70.9-25.2000113Q556 E563 Y601Q556-N561 PolarHBondContact NE2-OD1 3.44Å; N561-E563 PolarHBondContact O-N 2.68Å; N561-Y601 PolarHBondContact O-OH 3.01Å
562Y95.6Very high94.4Very high37 Ų3760.9 Ų60.915%0.14531%0.311CS..  trans-64.4127.4176.7175.8-86.7000111.6H567 L598 Y601 K602 S605Y562-H567 HydrophobicContact CD2-CB 3.75Å; Y562-H567 AromaticContact CD2-ND1 3.87Å; Y562-H567 HydrophobicContact CE2-CB 3.54Å; Y562-L598 HydrophobicContact CE2-CD2 4.34Å; Y562-Y601 AromaticContact CD2-CD1 3.65Å; Y562-Y601 HydrophobicContact CD2-CD1 3.65Å; Y562-Y601 AromaticContact CD2-CE1 3.77Å; Y562-Y601 HydrophobicContact CD2-CE1 3.77Å; Y562-Y601 HydrophobicContact CD2-CG 4.36Å; Y562-Y601 HydrophobicContact CG-CD1 4.44Å; Y562-Y601 HydrophobicContact CG-CE1 4.39Å; Y562-Y601 PolarHBondContact N-OH 3.45Å; Y562-K602 HydrophobicContact CD1-CB 3.97Å; Y562-K602 HydrophobicContact CD1-CD 4.19Å; Y562-K602 HydrophobicContact CD1-CG 3.73Å; Y562-K602 HydrophobicContact CD2-CB 4.25Å; Y562-K602 HydrophobicContact CE1-CB 4.29Å; Y562-K602 HydrophobicContact CE1-CD 3.94Å; Y562-K602 HydrophobicContact CE1-CG 4Å; Y562-K602 HydrophobicContact CG-CB 3.96Å; Y562-K602 HydrophobicContact CG-CG 4.22Å; Y562-S605 VanDerWaalsContact CB-OG 3.31Å; Y562-S605 WeakPolarHBondContact CB-OG 3.29Å; Y562-S605 PolarHBondContact N-OG 3.17Å
563E95.6Very high94.2Very high85 Ų8563.9 Ų63.940%0.39733%0.327SS..  trans-121.6123.5171.4-67.8176.7-141.600110.5N561 K565 K566 H567N561-E563 PolarHBondContact O-N 2.68Å; E563-K565 PolarHBondContact O-N 3.23Å; E563-K565 VanDerWaalsContact O-N 3.1Å; E563-K566 HydrophobicContact CB-CB 4.25Å; E563-K566 HydrophobicContact CB-CD 4.21Å; E563-K566 HydrophobicContact CB-CG 4.22Å; E563-K566 PolarHBondContact O-N 2.98Å; E563-K566 IonicContact OE1-NZ 2.77Å; E563-K566 PolarHBondContact OE1-NZ 2.95Å; E563-K566 VanDerWaalsContact OE2-CD 3.25Å; E563-K566 WeakPolarHBondContact OE2-CD 3.44Å; E563-K566 WeakPolarHBondContact OE2-CE 3.29Å; E563-K566 IonicContact OE2-NZ 2.99Å; E563-K566 PolarHBondContact OE2-NZ 2.91Å; E563-H567 PolarHBondContact N-ND1 3.26Å; E563-H567 VanDerWaalsContact N-ND1 3.17Å; E563-H567 PolarHBondContact O-N 2.96Å
564S93.6Very high94Very high68 Ų6867.9 Ų67.948%0.47635%0.346SS..Hα-helixtrans-58-29.5-178.2-63.30000113.6K568S564-K568 WeakPolarHBondContact O-CB 3.22Å
565K93.3Very high93.7Very high210 Ų21075 Ų7591%0.91338%0.379SS*.Hα-helixtrans-71.6-32177.6-69.1-175.5178.1-179.70112.6E563E563-K565 PolarHBondContact O-N 3.23Å; E563-K565 VanDerWaalsContact O-N 3.1Å
566K93.4Very high93.5Very high123 Ų12376.4 Ų76.454%0.53539%0.386SS..Hα-helixtrans-93-39.7-175.5-64.8179.9-179.6159.40112.7E563E563-K566 HydrophobicContact CB-CB 4.25Å; E563-K566 HydrophobicContact CB-CD 4.21Å; E563-K566 HydrophobicContact CB-CG 4.22Å; E563-K566 PolarHBondContact O-N 2.98Å; E563-K566 IonicContact OE1-NZ 2.77Å; E563-K566 PolarHBondContact OE1-NZ 2.95Å; E563-K566 VanDerWaalsContact OE2-CD 3.25Å; E563-K566 WeakPolarHBondContact OE2-CD 3.44Å; E563-K566 WeakPolarHBondContact OE2-CE 3.29Å; E563-K566 IonicContact OE2-NZ 2.99Å; E563-K566 PolarHBondContact OE2-NZ 2.91Å
567H94.9Very high93.4Very high9 Ų976.1 Ų76.14%0.04239%0.385CS..Hα-helixtrans-110.6-6.5-162.2-53.5143.4000115.1Y562 E563 F571 L598 Y601Y562-H567 HydrophobicContact CD2-CB 3.75Å; Y562-H567 AromaticContact CD2-ND1 3.87Å; Y562-H567 HydrophobicContact CE2-CB 3.54Å; E563-H567 PolarHBondContact N-ND1 3.26Å; E563-H567 VanDerWaalsContact N-ND1 3.17Å; E563-H567 PolarHBondContact O-N 2.96Å; H567-F571 HydrophobicContact CB-CD1 3.97Å; H567-F571 HydrophobicContact CB-CE1 4.35Å; H567-F571 HydrophobicContact CB-CG 4.23Å; H567-F571 AromaticContact CD2-CD2 3.82Å; H567-F571 AromaticContact CD2-CE1 3.87Å; H567-F571 AromaticContact CD2-CE2 3.62Å; H567-F571 AromaticContact CD2-CZ 3.64Å; H567-F571 WeakPolarHBondContact O-CB 3.28Å; H567-L598 HydrophobicContact CB-CD2 4.46Å; H567-L598 WeakPolarHBondContact O-CD2 3.33Å; H567-Y601 HydrophobicContact CB-CE1 4.44Å; H567-Y601 AromaticContact CE1-CE1 3.99Å; H567-Y601 PolarHBondContact CE1-OH 3.13Å; H567-Y601 VanDerWaalsContact CE1-OH 3.24Å; H567-Y601 AromaticContact ND1-CE1 3.51Å; H567-Y601 AromaticContact ND1-CZ 3.93Å
568K87.3Confident93.4Very high151 Ų15179.7 Ų79.766%0.65740%0.4SS*.SBendtrans-76.1-50-169.2-172.2178.8179.1-175.20114.4S564S564-K568 WeakPolarHBondContact O-CB 3.22Å
569Q86.5Confident93.3Very high187 Ų18778.3 Ų78.387%0.87440%0.396SS*.SBendtrans-123.9128.3-172.5-164.21691.800110.7F571Q569-F571 PolarHBondContact O-N 3.18Å; Q569-F571 VanDerWaalsContact O-N 3.14Å
570G86.6Confident93.4Very high68 Ų6874.3 Ų74.370%0.70138%0.38SS*.SBendtrans73.6-6.1178.100000116.2
571F94.1Very high93.5Very high29 Ų2973 Ų7313%0.12737%0.366CS..  trans-65-48-177.7174.5-110.6000113.5L555 Y559 H567 Q569 N573 N576 L598L555-F571 HydrophobicContact CD1-CE1 4.49Å; L555-F571 HydrophobicContact CD2-CE1 3.81Å; L555-F571 HydrophobicContact CD2-CZ 4.16Å; Y559-F571 HydrophobicContact CD1-CE2 4.33Å; Y559-F571 HydrophobicContact CD1-CZ 4.09Å; Y559-F571 AromaticContact CD2-CZ 3.99Å; Y559-F571 HydrophobicContact CD2-CZ 3.99Å; Y559-F571 HydrophobicContact CE1-CE2 4.22Å; Y559-F571 HydrophobicContact CE1-CZ 4.11Å; Y559-F571 HydrophobicContact CE2-CZ 4.03Å; Y559-F571 HydrophobicContact CG-CZ 4.03Å; H567-F571 HydrophobicContact CB-CD1 3.97Å; H567-F571 HydrophobicContact CB-CE1 4.35Å; H567-F571 HydrophobicContact CB-CG 4.23Å; H567-F571 AromaticContact CD2-CD2 3.82Å; H567-F571 AromaticContact CD2-CE1 3.87Å; H567-F571 AromaticContact CD2-CE2 3.62Å; H567-F571 AromaticContact CD2-CZ 3.64Å; H567-F571 WeakPolarHBondContact O-CB 3.28Å; Q569-F571 PolarHBondContact O-N 3.18Å; Q569-F571 VanDerWaalsContact O-N 3.14Å; F571-N573 PolarHBondContact O-N 3.39Å; F571-N576 PolarHBondContact O-OD1 3.26Å; F571-L598 HydrophobicContact CD1-CD2 4.27Å
572L94.9Very high93.6Very high16 Ų1669.1 Ų69.18%0.08435%0.346CS..SBendtrans-82.868.4177.1-66.9-176.3000111.5L555 L577 I580 T594 I597 L598L555-L572 HydrophobicContact CD1-CD2 4.11Å; L555-L572 HydrophobicContact CD2-CD2 4.15Å; L572-L577 HydrophobicContact CB-CD2 4.39Å; L572-L577 HydrophobicContact CB-CG 4.45Å; L572-I580 HydrophobicContact CD2-CD1 3.81Å; L572-T594 HydrophobicContact CB-CG2 3.85Å; L572-T594 HydrophobicContact CD1-CG2 4.23Å; L572-I597 HydrophobicContact CD1-CB 4.11Å; L572-I597 HydrophobicContact CD1-CG2 3.97Å; L572-L598 HydrophobicContact CD1-CD1 4.33Å; L572-L598 HydrophobicContact CD1-CD2 3.9Å; L572-L598 HydrophobicContact CD1-CG 3.73Å; L572-L598 HydrophobicContact CG-CD2 4.12Å; L572-L598 HydrophobicContact CG-CG 4.34Å
573N93.1Very high93.5Very high64 Ų6471.4 Ų71.434%0.34236%0.36SS..  trans-81.1180169.165.346.5000111.4F571 E575 N576 L577F571-N573 PolarHBondContact O-N 3.39Å; N573-E575 VanDerWaalsContact C-N 3.29Å; N573-E575 PolarHBondContact O-N 2.8Å; N573-E575 WeakPolarHBondContact OD1-CA 3.46Å; N573-E575 WeakPolarHBondContact OD1-CB 3.43Å; N573-E575 PolarHBondContact OD1-N 2.81Å; N573-N576 VanDerWaalsContact CG-OD1 3.26Å; N573-N576 PolarHBondContact ND2-OD1 2.94Å; N573-N576 PolarHBondContact O-N 3.14Å; N573-N576 PolarHBondContact OD1-N 3.47Å; N573-N576 PolarHBondContact OD1-OD1 2.86Å; N573-L577 WeakPolarHBondContact O-CB 3.45Å; N573-L577 VanDerWaalsContact O-CG 3.26Å; N573-L577 WeakPolarHBondContact O-CG 3.38Å; N573-L577 PolarHBondContact O-N 3.44Å
574E92.9Very high93.3Very high85 Ų8571.1 Ų71.140%0.39736%0.361SS..Hα-helixtrans-59.3-37.2-178.3-168.2-176.4148.600113.1K578 V586 K587E574-K578 VanDerWaalsContact O-CG 3.28Å; E574-K578 WeakPolarHBondContact O-CG 2.78Å; E574-K578 PolarHBondContact O-N 3.16Å; E574-K578 WeakPolarHBondContact OE1-CE 3.36Å; E574-K578 IonicContact OE1-NZ 3.77Å; E574-K578 PolarHBondContact OE1-NZ 3.5Å; E574-V586 HydrophobicContact CG-CG1 3.68Å; E574-K587 WeakPolarHBondContact OE1-CE 3.32Å
575E92.4Very high93.3Very high151 Ų15170.9 Ų70.971%0.70635%0.351SS*.Hα-helixtrans-68.5-50.6-179.5-174.4179.7176.900111.3N573 L577 K578N573-E575 VanDerWaalsContact C-N 3.29Å; N573-E575 PolarHBondContact O-N 2.8Å; N573-E575 WeakPolarHBondContact OD1-CA 3.46Å; N573-E575 WeakPolarHBondContact OD1-CB 3.43Å; N573-E575 PolarHBondContact OD1-N 2.81Å; E575-L577 VanDerWaalsContact C-N 3.3Å; E575-L577 PolarHBondContact O-N 3.09Å; E575-K578 WeakPolarHBondContact O-CB 3.42Å; E575-K578 PolarHBondContact O-N 2.57Å
576N93.5Very high93.3Very high28 Ų2861.2 Ų61.215%0.1531%0.31CS..Hα-helixtrans-62.1-40.6176.9-66.993.6000110.8Y559 F571 N573 K578 S579Y559-N576 PolarHBondContact OH-ND2 3.28Å; F571-N576 PolarHBondContact O-OD1 3.26Å; N573-N576 VanDerWaalsContact CG-OD1 3.26Å; N573-N576 PolarHBondContact ND2-OD1 2.94Å; N573-N576 PolarHBondContact O-N 3.14Å; N573-N576 PolarHBondContact OD1-N 3.47Å; N573-N576 PolarHBondContact OD1-OD1 2.86Å; N576-K578 PolarHBondContact O-N 2.98Å; N576-S579 PolarHBondContact O-N 2.95Å; N576-S579 PolarHBondContact O-OG 3.35Å
577L95.8Very high93Very high2 Ų263.9 Ų63.91%0.0132%0.321CS..Hα-helixtrans-60.7-40.2176.4-75.4172.1000112.7L572 N573 E575 S579 I580 V581 A590 T594 I597L572-L577 HydrophobicContact CB-CD2 4.39Å; L572-L577 HydrophobicContact CB-CG 4.45Å; N573-L577 WeakPolarHBondContact O-CB 3.45Å; N573-L577 VanDerWaalsContact O-CG 3.26Å; N573-L577 WeakPolarHBondContact O-CG 3.38Å; N573-L577 PolarHBondContact O-N 3.44Å; E575-L577 VanDerWaalsContact C-N 3.3Å; E575-L577 PolarHBondContact O-N 3.09Å; L577-S579 PolarHBondContact O-N 3.07Å; L577-S579 VanDerWaalsContact O-N 3.07Å; L577-I580 HydrophobicContact CD2-CD1 4.35Å; L577-I580 PolarHBondContact O-N 3.34Å; L577-V581 HydrophobicContact CB-CG2 4.12Å; L577-V581 HydrophobicContact CD2-CG2 4.41Å; L577-V581 WeakPolarHBondContact O-CG2 3.33Å; L577-V581 PolarHBondContact O-N 3.44Å; L577-A590 HydrophobicContact CD1-CB 4.29Å; L577-A590 HydrophobicContact CD2-CB 4.39Å; L577-T594 HydrophobicContact CD1-CG2 4.32Å; L577-I597 HydrophobicContact CD2-CD1 4.42Å
578K95.7Very high92.7Very high93 Ų9366.8 Ų66.840%0.40434%0.343SS..Hα-helixtrans-57.4-24.4177.7-78.7167.5-178.7161.60113.8E574 E575 N576 I583 V586E574-K578 VanDerWaalsContact O-CG 3.28Å; E574-K578 WeakPolarHBondContact O-CG 2.78Å; E574-K578 PolarHBondContact O-N 3.16Å; E574-K578 WeakPolarHBondContact OE1-CE 3.36Å; E574-K578 IonicContact OE1-NZ 3.77Å; E574-K578 PolarHBondContact OE1-NZ 3.5Å; E575-K578 WeakPolarHBondContact O-CB 3.42Å; E575-K578 PolarHBondContact O-N 2.57Å; N576-K578 PolarHBondContact O-N 2.98Å; K578-I583 HydrophobicContact CG-CD1 3.95Å; K578-V586 HydrophobicContact CG-CG1 4.09Å; K578-V586 HydrophobicContact CG-CG2 4.02Å
579S95.8Very high93Very high37 Ų3763.3 Ų63.326%0.25933%0.328SS..THydrogen-bonded Turntrans-88.2-10.117965.80000114.7N576 L577N576-S579 PolarHBondContact O-N 2.95Å; N576-S579 PolarHBondContact O-OG 3.35Å; L577-S579 PolarHBondContact O-N 3.07Å; L577-S579 VanDerWaalsContact O-N 3.07Å
580I97.5Very high93.2Very high0 Ų054.4 Ų54.40%029%0.286CS..THydrogen-bonded Turntrans-128.8-15.8-173.566.8175.8000115.2A551 L554 L555 I558 L572 L577 I597A551-I580 HydrophobicContact CB-CB 4.2Å; A551-I580 HydrophobicContact CB-CD1 4.2Å; A551-I580 HydrophobicContact CB-CG1 4.2Å; L554-I580 HydrophobicContact CB-CB 4.14Å; L554-I580 HydrophobicContact CB-CG2 3.78Å; L554-I580 HydrophobicContact CD1-CB 4.25Å; L555-I580 HydrophobicContact CD1-CD1 4.16Å; L555-I580 HydrophobicContact CD2-CD1 3.78Å; L555-I580 HydrophobicContact CD2-CG2 4.12Å; L555-I580 HydrophobicContact CG-CD1 3.84Å; L555-I580 HydrophobicContact CG-CG2 4.47Å; I558-I580 HydrophobicContact CD1-CG2 4.27Å; L572-I580 HydrophobicContact CD2-CD1 3.81Å; L577-I580 HydrophobicContact CD2-CD1 4.35Å; L577-I580 PolarHBondContact O-N 3.34Å; I580-I597 HydrophobicContact CD1-CG2 4.4Å
581V96.8Very high93.4Very high1 Ų159.3 Ų59.31%0.00629%0.285CS..SBendtrans-123.8157.1177.1-670000112.3L536 A551 L577 I583 V586 A590 W593 I597L536-V581 WeakPolarHBondContact CD2-O 3.29Å; A551-V581 HydrophobicContact CB-CG1 3.96Å; L577-V581 HydrophobicContact CB-CG2 4.12Å; L577-V581 HydrophobicContact CD2-CG2 4.41Å; L577-V581 WeakPolarHBondContact O-CG2 3.33Å; L577-V581 PolarHBondContact O-N 3.44Å; V581-I583 PolarHBondContact O-N 2.98Å; V581-V586 HydrophobicContact CG2-CG2 3.73Å; V581-A590 HydrophobicContact CG2-CB 3.81Å; V581-W593 HydrophobicContact CG1-CE3 4.2Å; V581-W593 HydrophobicContact CG1-CZ3 4.29Å; V581-I597 HydrophobicContact CG1-CD1 4.31Å
582P96.4Very high93.4Very high7 Ų765.1 Ų65.15%0.04531%0.312CS..  trans-55.1135.3174.3-25.233.5000112.5L535 L547 L584 K585 V586L535-P582 HydrophobicContact CD1-CG 3.98Å; L535-P582 HydrophobicContact CG-CG 4.48Å; L535-P582 WeakPolarHBondContact O-CB 3.46Å; L535-P582 WeakPolarHBondContact O-CG 3.4Å; L547-P582 HydrophobicContact CD1-CG 4.25Å; L547-P582 HydrophobicContact CD2-CG 3.9Å; P582-L584 PolarHBondContact O-N 3.44Å; P582-L584 VanDerWaalsContact O-N 3.1Å; P582-K585 HydrophobicContact CB-CG 4.14Å; P582-K585 HydrophobicContact CG-CG 4.49Å; P582-K585 WeakPolarHBondContact O-CA 3.46Å; P582-K585 WeakPolarHBondContact O-CB 3.37Å; P582-K585 PolarHBondContact O-N 3.11Å; P582-V586 PolarHBondContact O-N 2.85Å
583I93.8Very high93.5Very high86 Ų8664.9 Ų64.944%0.44131%0.31SS..Hα-helixtrans-55.7-36.3-172.9-168.959.9000113.3L536 K578 V581 K585 V586L536-I583 PolarHBondContact O-N 3.49Å; K578-I583 HydrophobicContact CG-CD1 3.95Å; V581-I583 PolarHBondContact O-N 2.98Å; I583-K585 PolarHBondContact O-N 3.16Å; I583-V586 HydrophobicContact CD1-CG2 4.28Å; I583-V586 PolarHBondContact O-N 3.15Å
584L91.4Very high93.6Very high79 Ų7963 Ų6341%0.41430%0.3SS..Hα-helixtrans-69.4-19178.4-65.5173.5000113.6P582 S588 K671P582-L584 PolarHBondContact O-N 3.44Å; P582-L584 VanDerWaalsContact O-N 3.1Å; L584-S588 PolarHBondContact O-OG 3.29Å; L584-K671 HydrophobicContact CD1-CB 3.62Å; L584-K671 HydrophobicContact CD1-CG 3.31Å
585K93.5Very high93.8Very high62 Ų6265 Ų6527%0.2731%0.314SS..Hα-helixtrans-93.8-19.8179.5-58.8-61.9-177.9-175.30112.6P582 I583 K587 S588 K589 A590 W593P582-K585 HydrophobicContact CB-CG 4.14Å; P582-K585 HydrophobicContact CG-CG 4.49Å; P582-K585 WeakPolarHBondContact O-CA 3.46Å; P582-K585 WeakPolarHBondContact O-CB 3.37Å; P582-K585 PolarHBondContact O-N 3.11Å; I583-K585 PolarHBondContact O-N 3.16Å; K585-K587 PolarHBondContact O-N 3.01Å; K585-S588 WeakPolarHBondContact CA-OG 3.46Å; K585-S588 PolarHBondContact O-N 3.29Å; K585-K589 HydrophobicContact CD-CD 4.3Å; K585-K589 PolarHBondContact O-N 2.97Å; K585-A590 VanDerWaalsContact O-CB 3.31Å; K585-A590 WeakPolarHBondContact O-CB 3.48Å; K585-A590 PolarHBondContact O-N 3.43Å; K585-W593 HydrophobicContact CB-CH2 3.88Å; K585-W593 HydrophobicContact CB-CZ3 4.02Å; K585-W593 HydrophobicContact CD-CH2 4.22Å; K585-W593 HydrophobicContact CG-CH2 3.94Å; K585-W593 HydrophobicContact CG-CZ3 4.45Å
586V92.1Very high94Very high7 Ų763.5 Ų63.54%0.04230%0.302CS..Hα-helixtrans-51.7-54.4-177.8175.30000111.6E574 K578 V581 P582 I583E574-V586 HydrophobicContact CG-CG1 3.68Å; K578-V586 HydrophobicContact CG-CG1 4.09Å; K578-V586 HydrophobicContact CG-CG2 4.02Å; V581-V586 HydrophobicContact CG2-CG2 3.73Å; P582-V586 PolarHBondContact O-N 2.85Å; I583-V586 HydrophobicContact CD1-CG2 4.28Å; I583-V586 PolarHBondContact O-N 3.15Å
587K88.1Confident94.2Very high179 Ų17962.2 Ų62.278%0.77830%0.295SS*.THydrogen-bonded Turntrans-84.5-18.8-176.3-65.1-169.9174.9-172.70114.6E574 K585E574-K587 WeakPolarHBondContact OE1-CE 3.32Å; K585-K587 PolarHBondContact O-N 3.01Å
588S89.5Confident94.3Very high71 Ų7163.1 Ų63.150%0.49730%0.3SS..THydrogen-bonded Turntrans-102.2-43-170.257.70000113.8L584 K585L584-S588 PolarHBondContact O-OG 3.29Å; K585-S588 WeakPolarHBondContact CA-OG 3.46Å; K585-S588 PolarHBondContact O-N 3.29Å
589K91.7Very high94.3Very high77 Ų7765.5 Ų65.534%0.33531%0.312SS..THydrogen-bonded Turntrans-127.8-34.2-172.8-70.8-162.2172.7-166.30114.2D544 K585 Y591 H592 W593D544-K589 VanDerWaalsContact CG-NZ 3.31Å; D544-K589 IonicContact OD1-NZ 2.8Å; D544-K589 PolarHBondContact OD1-NZ 3.24Å; D544-K589 IonicContact OD2-NZ 2.76Å; D544-K589 PolarHBondContact OD2-NZ 3.27Å; K585-K589 HydrophobicContact CD-CD 4.3Å; K585-K589 PolarHBondContact O-N 2.97Å; K589-Y591 PolarHBondContact O-N 3.39Å; K589-Y591 VanDerWaalsContact O-N 3.16Å; K589-H592 WeakPolarHBondContact O-CB 3.39Å; K589-H592 PolarHBondContact O-N 3.04Å; K589-W593 HydrophobicContact CB-CH2 4.12Å; K589-W593 HydrophobicContact CB-CZ2 3.5Å; K589-W593 HydrophobicContact CD-CH2 4.44Å; K589-W593 HydrophobicContact CD-CZ2 3.63Å; K589-W593 HydrophobicContact CG-CZ2 4.26Å
590A91.8Very high94.4Very high0 Ų066.1 Ų66.10%031%0.311CS..G310 helixtrans-63-28.6-165.600000113.8L577 V581 K585 H592 W593 T594L577-A590 HydrophobicContact CD1-CB 4.29Å; L577-A590 HydrophobicContact CD2-CB 4.39Å; V581-A590 HydrophobicContact CG2-CB 3.81Å; K585-A590 VanDerWaalsContact O-CB 3.31Å; K585-A590 WeakPolarHBondContact O-CB 3.48Å; K585-A590 PolarHBondContact O-N 3.43Å; A590-H592 PolarHBondContact O-N 3.28Å; A590-W593 HydrophobicContact CB-CE3 4.16Å; A590-W593 WeakPolarHBondContact O-CB 3.43Å; A590-W593 PolarHBondContact O-N 3.49Å; A590-T594 PolarHBondContact O-N 3.19Å
591Y90.8Very high94.4Very high172 Ų17266.1 Ų66.168%0.67531%0.311SS*.G310 helixtrans-58.8-32.7175.9-152.2-87.4000112.5K589 W593 T594K589-Y591 PolarHBondContact O-N 3.39Å; K589-Y591 VanDerWaalsContact O-N 3.16Å; Y591-W593 VanDerWaalsContact C-N 3.32Å; Y591-T594 WeakPolarHBondContact O-CG2 3.04Å; Y591-T594 PolarHBondContact O-OG1 3.18Å; Y591-T594 VanDerWaalsContact O-OG1 3.1Å
592H94.2Very high94.4Very high150 Ų15070.9 Ų70.969%0.69433%0.332SS*.G310 helixtrans-81.3-10.3176.9-54.8-61.3000113.5K589 A590K589-H592 WeakPolarHBondContact O-CB 3.39Å; K589-H592 PolarHBondContact O-N 3.04Å; A590-H592 PolarHBondContact O-N 3.28Å
593W96.4Very high94.3Very high12 Ų1272.9 Ų72.95%0.04535%0.349CS..THydrogen-bonded Turntrans-93.2-16.4-178.5-60.7-13.6000113.3D544 L547 I548 V581 K585 K589 A590 Y591 N595 R596 I597D544-W593 HydrophobicContact CB-CZ2 3.77Å; D544-W593 WeakPolarHBondContact OD1-CZ2 3.2Å; L547-W593 HydrophobicContact CB-CH2 4.43Å; L547-W593 HydrophobicContact CB-CZ3 4.17Å; L547-W593 HydrophobicContact CD1-CH2 3.82Å; L547-W593 HydrophobicContact CD1-CZ3 4.2Å; I548-W593 HydrophobicContact CD1-CB 4.07Å; I548-W593 HydrophobicContact CD1-CD2 4.32Å; I548-W593 HydrophobicContact CD1-CG 3.88Å; I548-W593 HydrophobicContact CG1-CB 3.95Å; I548-W593 HydrophobicContact CG1-CD2 4.12Å; I548-W593 HydrophobicContact CG1-CE3 4.33Å; I548-W593 HydrophobicContact CG1-CG 3.96Å; V581-W593 HydrophobicContact CG1-CE3 4.2Å; V581-W593 HydrophobicContact CG1-CZ3 4.29Å; K585-W593 HydrophobicContact CB-CH2 3.88Å; K585-W593 HydrophobicContact CB-CZ3 4.02Å; K585-W593 HydrophobicContact CD-CH2 4.22Å; K585-W593 HydrophobicContact CG-CH2 3.94Å; K585-W593 HydrophobicContact CG-CZ3 4.45Å; K589-W593 HydrophobicContact CB-CH2 4.12Å; K589-W593 HydrophobicContact CB-CZ2 3.5Å; K589-W593 HydrophobicContact CD-CH2 4.44Å; K589-W593 HydrophobicContact CD-CZ2 3.63Å; K589-W593 HydrophobicContact CG-CZ2 4.26Å; A590-W593 HydrophobicContact CB-CE3 4.16Å; A590-W593 WeakPolarHBondContact O-CB 3.43Å; A590-W593 PolarHBondContact O-N 3.49Å; Y591-W593 VanDerWaalsContact C-N 3.32Å; W593-N595 PolarHBondContact O-N 3.21Å; W593-R596 WeakPolarHBondContact O-CA 3.28Å; W593-R596 WeakPolarHBondContact O-CB 3.47Å; W593-R596 PolarHBondContact O-N 3.06Å; W593-I597 HydrophobicContact CB-CD1 3.82Å; W593-I597 HydrophobicContact CB-CG1 4.2Å; W593-I597 WeakPolarHBondContact O-CG1 3.49Å; W593-I597 PolarHBondContact O-N 3.23Å
594T96.1Very high94.3Very high23 Ų2370.1 Ų70.114%0.14134%0.335CS..Hα-helixtrans-47.1-51-172.851.60000113.6L572 L577 A590 Y591 R596 I597 L598L572-T594 HydrophobicContact CB-CG2 3.85Å; L572-T594 HydrophobicContact CD1-CG2 4.23Å; L577-T594 HydrophobicContact CD1-CG2 4.32Å; A590-T594 PolarHBondContact O-N 3.19Å; Y591-T594 WeakPolarHBondContact O-CG2 3.04Å; Y591-T594 PolarHBondContact O-OG1 3.18Å; Y591-T594 VanDerWaalsContact O-OG1 3.1Å; T594-R596 VanDerWaalsContact C-N 3.34Å; T594-R596 PolarHBondContact O-N 2.93Å; T594-I597 PolarHBondContact O-N 3.42Å; T594-L598 WeakPolarHBondContact O-CG 3.37Å; T594-L598 PolarHBondContact O-N 3.24Å
595N95.6Very high94.4Very high129 Ų12967.2 Ų67.269%0.6932%0.321SS*.Hα-helixtrans-61.9-39.5179.1-69.9-31.4000113W593 H599W593-N595 PolarHBondContact O-N 3.21Å; N595-H599 WeakPolarHBondContact O-CB 3.34Å; N595-H599 PolarHBondContact O-N 2.88Å
596R97.6Very high94.3Very high119 Ų11969 Ų6945%0.44934%0.337SS..Hα-helixtrans-71.3-41.6178.8-67.6175.560-168.2-3.4111.3I548 W593 T594 H599 E600I548-R596 HydrophobicContact CD1-CB 4.17Å; I548-R596 HydrophobicContact CG2-CB 4.04Å; W593-R596 WeakPolarHBondContact O-CA 3.28Å; W593-R596 WeakPolarHBondContact O-CB 3.47Å; W593-R596 PolarHBondContact O-N 3.06Å; T594-R596 VanDerWaalsContact C-N 3.34Å; T594-R596 PolarHBondContact O-N 2.93Å; R596-H599 PolarHBondContact O-N 3.24Å; R596-E600 PolarHBondContact O-N 3.13Å
597I97.8Very high94.3Very high0 Ų071 Ų710%035%0.351CS..Hα-helixtrans-59.1-48.2174.7-65.5169000110I548 A551 L555 L572 L577 I580 V581 W593 T594 H599 E600 Y601I548-I597 HydrophobicContact CB-CG1 4.28Å; I548-I597 HydrophobicContact CG1-CG1 4.13Å; I548-I597 HydrophobicContact CG2-CG1 3.85Å; A551-I597 HydrophobicContact CB-CD1 3.99Å; A551-I597 HydrophobicContact CB-CG1 4.17Å; A551-I597 HydrophobicContact CB-CG2 4.18Å; L555-I597 HydrophobicContact CD1-CG2 3.56Å; L572-I597 HydrophobicContact CD1-CB 4.11Å; L572-I597 HydrophobicContact CD1-CG2 3.97Å; L577-I597 HydrophobicContact CD2-CD1 4.42Å; I580-I597 HydrophobicContact CD1-CG2 4.4Å; V581-I597 HydrophobicContact CG1-CD1 4.31Å; W593-I597 HydrophobicContact CB-CD1 3.82Å; W593-I597 HydrophobicContact CB-CG1 4.2Å; W593-I597 WeakPolarHBondContact O-CG1 3.49Å; W593-I597 PolarHBondContact O-N 3.23Å; T594-I597 PolarHBondContact O-N 3.42Å; I597-H599 VanDerWaalsContact C-N 3.33Å; I597-H599 PolarHBondContact O-N 3.31Å; I597-E600 PolarHBondContact O-N 3.47Å; I597-Y601 VanDerWaalsContact O-CB 3.24Å; I597-Y601 WeakPolarHBondContact O-CB 3.28Å; I597-Y601 PolarHBondContact O-N 3.48Å
598L97.4Very high94Very high22 Ų2271.9 Ų71.912%0.11536%0.358CS..Hα-helixtrans-65.6-35.1178.6-69.5175.5000112.6Y562 H567 F571 L572 T594 Y601 K602Y562-L598 HydrophobicContact CE2-CD2 4.34Å; H567-L598 HydrophobicContact CB-CD2 4.46Å; H567-L598 WeakPolarHBondContact O-CD2 3.33Å; F571-L598 HydrophobicContact CD1-CD2 4.27Å; L572-L598 HydrophobicContact CD1-CD1 4.33Å; L572-L598 HydrophobicContact CD1-CD2 3.9Å; L572-L598 HydrophobicContact CD1-CG 3.73Å; L572-L598 HydrophobicContact CG-CD2 4.12Å; L572-L598 HydrophobicContact CG-CG 4.34Å; T594-L598 WeakPolarHBondContact O-CG 3.37Å; T594-L598 PolarHBondContact O-N 3.24Å; L598-Y601 HydrophobicContact CD2-CD1 4.4Å; L598-K602 VanDerWaalsContact O-CB 3.31Å; L598-K602 WeakPolarHBondContact O-CB 3.43Å; L598-K602 PolarHBondContact O-N 3.28Å
599H96.9Very high93.7Very high142 Ų14272.2 Ų72.266%0.65737%0.372SS*.Hα-helixtrans-63.2-50.3175.2-17782.6000111.5N595 R596 I597 K602 A603N595-H599 WeakPolarHBondContact O-CB 3.34Å; N595-H599 PolarHBondContact O-N 2.88Å; R596-H599 PolarHBondContact O-N 3.24Å; I597-H599 VanDerWaalsContact C-N 3.33Å; I597-H599 PolarHBondContact O-N 3.31Å; H599-K602 PolarHBondContact O-N 3.21Å; H599-A603 PolarHBondContact O-N 2.91Å
600E97.1Very high93.5Very high50 Ų5070.2 Ų70.223%0.23437%0.367CS..Hα-helixtrans-65.4-39.2176.7-72.6-175.7-144.900111.9I548 T549 R596 I597 A603 L604I548-E600 WeakPolarHBondContact CG2-OE1 3.5Å; T549-E600 WeakPolarHBondContact CA-OE2 3.38Å; T549-E600 WeakPolarHBondContact CB-OE2 3.22Å; T549-E600 PolarHBondContact OG1-OE2 2.93Å; R596-E600 PolarHBondContact O-N 3.13Å; I597-E600 PolarHBondContact O-N 3.47Å; E600-A603 PolarHBondContact O-N 3.26Å; E600-L604 WeakPolarHBondContact O-CG 3.07Å; E600-L604 PolarHBondContact O-N 3Å
601Y97Very high93.4Very high0 Ų072.8 Ų72.80%039%0.385CS..Hα-helixtrans-61.6-46.5176.6174.8-148.4000111.4L555 Q556 G560 N561 Y562 H567 I597 L598 A603 L604 S605L555-Y601 HydrophobicContact CB-CD1 3.82Å; L555-Y601 HydrophobicContact CB-CD2 3.93Å; L555-Y601 HydrophobicContact CB-CE1 3.97Å; L555-Y601 HydrophobicContact CB-CE2 4.1Å; L555-Y601 HydrophobicContact CB-CG 3.82Å; L555-Y601 HydrophobicContact CD1-CD1 3.64Å; L555-Y601 HydrophobicContact CD1-CE1 4.28Å; L555-Y601 HydrophobicContact CD1-CG 4.01Å; L555-Y601 HydrophobicContact CG-CD1 4.36Å; Q556-Y601 HydrophobicContact CB-CD2 4.16Å; Q556-Y601 HydrophobicContact CB-CE2 4.03Å; G560-Y601 WeakPolarHBondContact O-CE2 3.3Å; G560-Y601 PolarHBondContact O-OH 3.21Å; N561-Y601 PolarHBondContact O-OH 3.01Å; Y562-Y601 AromaticContact CD2-CD1 3.65Å; Y562-Y601 HydrophobicContact CD2-CD1 3.65Å; Y562-Y601 AromaticContact CD2-CE1 3.77Å; Y562-Y601 HydrophobicContact CD2-CE1 3.77Å; Y562-Y601 HydrophobicContact CD2-CG 4.36Å; Y562-Y601 HydrophobicContact CG-CD1 4.44Å; Y562-Y601 HydrophobicContact CG-CE1 4.39Å; Y562-Y601 PolarHBondContact N-OH 3.45Å; H567-Y601 HydrophobicContact CB-CE1 4.44Å; H567-Y601 AromaticContact CE1-CE1 3.99Å; H567-Y601 PolarHBondContact CE1-OH 3.13Å; H567-Y601 VanDerWaalsContact CE1-OH 3.24Å; H567-Y601 AromaticContact ND1-CE1 3.51Å; H567-Y601 AromaticContact ND1-CZ 3.93Å; I597-Y601 VanDerWaalsContact O-CB 3.24Å; I597-Y601 WeakPolarHBondContact O-CB 3.28Å; I597-Y601 PolarHBondContact O-N 3.48Å; L598-Y601 HydrophobicContact CD2-CD1 4.4Å; Y601-A603 VanDerWaalsContact C-N 3.34Å; Y601-A603 PolarHBondContact O-N 3.49Å; Y601-L604 PolarHBondContact O-N 3.21Å; Y601-S605 PolarHBondContact O-N 3.08Å; Y601-S605 PolarHBondContact O-OG 3.08Å; Y601-S605 VanDerWaalsContact O-OG 3.08Å
602K96.4Very high93.2Very high102 Ų10268.3 Ų68.344%0.44337%0.369SS..Hα-helixtrans-59.8-44.4175-176.8179.9178.4-1720111.6Y562 L598 H599 L604 S605 T606Y562-K602 HydrophobicContact CD1-CB 3.97Å; Y562-K602 HydrophobicContact CD1-CD 4.19Å; Y562-K602 HydrophobicContact CD1-CG 3.73Å; Y562-K602 HydrophobicContact CD2-CB 4.25Å; Y562-K602 HydrophobicContact CE1-CB 4.29Å; Y562-K602 HydrophobicContact CE1-CD 3.94Å; Y562-K602 HydrophobicContact CE1-CG 4Å; Y562-K602 HydrophobicContact CG-CB 3.96Å; Y562-K602 HydrophobicContact CG-CG 4.22Å; L598-K602 VanDerWaalsContact O-CB 3.31Å; L598-K602 WeakPolarHBondContact O-CB 3.43Å; L598-K602 PolarHBondContact O-N 3.28Å; H599-K602 PolarHBondContact O-N 3.21Å; K602-L604 PolarHBondContact O-N 3.02Å; K602-S605 PolarHBondContact O-N 2.73Å; K602-T606 PolarHBondContact O-N 3.31Å; K602-T606 VanDerWaalsContact O-N 3.1Å; K602-T606 PolarHBondContact O-OG1 2.69Å; K602-T606 VanDerWaalsContact O-OG1 3.14Å
603A95.4Very high93.2Very high49 Ų4966.2 Ų66.241%0.40536%0.359SS..Hα-helixtrans-61.7-41.9178.300000112.1H599 E600 Y601 S605 T606 S607H599-A603 PolarHBondContact O-N 2.91Å; E600-A603 PolarHBondContact O-N 3.26Å; Y601-A603 VanDerWaalsContact C-N 3.34Å; Y601-A603 PolarHBondContact O-N 3.49Å; A603-S605 VanDerWaalsContact C-N 3.33Å; A603-S605 PolarHBondContact O-N 2.88Å; A603-T606 PolarHBondContact O-N 3.45Å; A603-T606 PolarHBondContact O-OG1 2.81Å; A603-S607 WeakPolarHBondContact O-CB 3.42Å; A603-S607 PolarHBondContact O-N 2.79Å
604L94.2Very high93.2Very high28 Ų2870.2 Ų70.215%0.14738%0.38CS..Hα-helixtrans-61.1-40.3174.9-76.4169.9000112.1L553 E600 Y601 K602 V610 K612L553-L604 HydrophobicContact CD2-CD1 3.84Å; L553-L604 HydrophobicContact CD2-CD2 4.2Å; L553-L604 HydrophobicContact CG-CD1 4.17Å; E600-L604 WeakPolarHBondContact O-CG 3.07Å; E600-L604 PolarHBondContact O-N 3Å; Y601-L604 PolarHBondContact O-N 3.21Å; K602-L604 PolarHBondContact O-N 3.02Å; L604-V610 HydrophobicContact CD2-CG1 4.47Å; L604-K612 PolarHBondContact O-NZ 3.37Å
605S92.9Very high93.2Very high17 Ų1771.3 Ų71.312%0.11938%0.383CS..Hα-helixtrans-69.7-37.5179.6-54.60000113.1Q556 Y562 Y601 K602 A603 K612Q556-S605 PolarHBondContact OE1-OG 2.91Å; Y562-S605 VanDerWaalsContact CB-OG 3.31Å; Y562-S605 WeakPolarHBondContact CB-OG 3.29Å; Y562-S605 PolarHBondContact N-OG 3.17Å; Y601-S605 PolarHBondContact O-N 3.08Å; Y601-S605 PolarHBondContact O-OG 3.08Å; Y601-S605 VanDerWaalsContact O-OG 3.08Å; K602-S605 PolarHBondContact O-N 2.73Å; A603-S605 VanDerWaalsContact C-N 3.33Å; A603-S605 PolarHBondContact O-N 2.88Å; S605-K612 WeakPolarHBondContact O-CE 3.41Å
606T92.2Very high93.3Very high101 Ų10168.7 Ų68.762%0.6237%0.367SS*.Hα-helixtrans-86.3-13.7-178.555.70000114.1K602 A603 E608K602-T606 PolarHBondContact O-N 3.31Å; K602-T606 VanDerWaalsContact O-N 3.1Å; K602-T606 PolarHBondContact O-OG1 2.69Å; K602-T606 VanDerWaalsContact O-OG1 3.14Å; A603-T606 PolarHBondContact O-N 3.45Å; A603-T606 PolarHBondContact O-OG1 2.81Å; T606-E608 PolarHBondContact O-N 3Å
607S91.4Very high93.3Very high47 Ų4763.3 Ų63.333%0.32935%0.347SS..  trans-72.1117.8178.9-1760000111A603 G609 K612A603-S607 WeakPolarHBondContact O-CB 3.42Å; A603-S607 PolarHBondContact O-N 2.79Å; S607-G609 VanDerWaalsContact C-N 3.3Å; S607-K612 PolarHBondContact O-NZ 3.48Å
608E82.3Confident93.3Very high199 Ų19963.8 Ų63.893%0.9335%0.349SS*.THydrogen-bonded Turntrans-71.4-24.8175.2-63.9-176.6171.800112.5T606 V610T606-E608 PolarHBondContact O-N 3Å; E608-V610 VanDerWaalsContact C-N 3.34Å; E608-V610 PolarHBondContact O-N 2.9Å
609G83.1Confident93.4Very high77 Ų7765.2 Ų65.279%0.79435%0.353SS*.THydrogen-bonded Turntrans-80.1-8.4-179.900000115.1S607S607-G609 VanDerWaalsContact C-N 3.3Å
610V86.4Confident93.4Very high35 Ų3560.7 Ų60.721%0.21233%0.333CS..SBendtrans-101.5113.4178.3178.20000109.1L604 E608 K612 L617 L620L604-V610 HydrophobicContact CD2-CG1 4.47Å; E608-V610 VanDerWaalsContact C-N 3.34Å; E608-V610 PolarHBondContact O-N 2.9Å; V610-K612 PolarHBondContact O-N 2.88Å; V610-K612 PolarHBondContact O-NZ 3.45Å; V610-L617 HydrophobicContact CG1-CD2 4.23Å; V610-L620 HydrophobicContact CG1-CD2 4.26Å
611S90.3Very high93.5Very high55 Ų5558.3 Ų58.339%0.38532%0.322SS..  trans-54.8138175.6-175.40000111.4E613 H616S611-E613 PolarHBondContact OG-N 3.3Å; S611-H616 PolarHBondContact OG-ND1 2.88Å
612K86.3Confident93.6Very high77 Ų7758.3 Ų58.334%0.33532%0.322SS..  trans-98.72.4-179.2-54.8-59.9-175.5-118.30112.9L604 S605 S607 V610L604-K612 PolarHBondContact O-NZ 3.37Å; S605-K612 WeakPolarHBondContact O-CE 3.41Å; S607-K612 PolarHBondContact O-NZ 3.48Å; V610-K612 PolarHBondContact O-N 2.88Å; V610-K612 PolarHBondContact O-NZ 3.45Å
613E94.1Very high93.6Very high106 Ų10657.7 Ų57.750%0.49532%0.321SS..SBendtrans-68.1141.4174.1-59.8-175.2170.800110.6S611 H615 H616 L617S611-E613 PolarHBondContact OG-N 3.3Å; E613-H615 PolarHBondContact O-N 3.23Å; E613-H615 IonicContact OE2-CE1 3.64Å; E613-H615 PolarHBondContact OE2-CE1 2.91Å; E613-H615 IonicContact OE2-ND1 3.68Å; E613-H615 IonicContact OE2-NE2 2.68Å; E613-H616 HydrophobicContact CB-CB 4.44Å; E613-H616 PolarHBondContact O-N 3.19Å; E613-H616 VanDerWaalsContact O-N 3.17Å; E613-H616 IonicContact OE2-CE1 3.14Å; E613-H616 PolarHBondContact OE2-CE1 3.45Å; E613-H616 IonicContact OE2-ND1 2.81Å; E613-H616 PolarHBondContact OE2-ND1 2.97Å; E613-H616 VanDerWaalsContact OE2-ND1 3.17Å; E613-L617 PolarHBondContact O-N 3.46Å; E613-L617 VanDerWaalsContact O-N 3.11Å
614M96.4Very high93.8Very high97 Ų9756.9 Ų56.948%0.47831%0.31SS..Hα-helixtrans-56.8-48.7-171.6-178.958.169.500112.8I557 H616 L617 Q618I557-M614 HydrophobicContact CG2-SD 3.82Å; M614-H616 VanDerWaalsContact C-N 3.33Å; M614-H616 PolarHBondContact O-N 2.51Å; M614-L617 PolarHBondContact O-N 3.28Å; M614-Q618 HydrophobicContact CG-CG 4.49Å; M614-Q618 WeakPolarHBondContact O-CB 3.48Å; M614-Q618 VanDerWaalsContact O-CG 3.26Å; M614-Q618 WeakPolarHBondContact O-CG 3.47Å; M614-Q618 PolarHBondContact O-N 3.17Å; M614-Q618 HydrophobicContact SD-CG 4.26Å; M614-Q618 PolarHBondContact SD-NE2 3.4Å
615H96.4Very high94Very high46 Ų4655.6 Ų55.621%0.21330%0.303CS..Hα-helixtrans-69.8-29.2-177.667.3-81.5000112.2P521 I524 E613 R619P521-H615 HydrophobicContact CB-CB 3.98Å; P521-H615 HydrophobicContact CG-CB 4.49Å; I524-H615 HydrophobicContact CD1-CB 4.37Å; I524-H615 HydrophobicContact CG2-CB 4.4Å; I524-H615 WeakPolarHBondContact CG2-O 3.31Å; E613-H615 PolarHBondContact O-N 3.23Å; E613-H615 IonicContact OE2-CE1 3.64Å; E613-H615 PolarHBondContact OE2-CE1 2.91Å; E613-H615 IonicContact OE2-ND1 3.68Å; E613-H615 IonicContact OE2-NE2 2.68Å; H615-R619 VanDerWaalsContact O-CB 3.28Å; H615-R619 WeakPolarHBondContact O-CB 3.37Å; H615-R619 PolarHBondContact O-N 3.45Å
616H97.1Very high94.2Very high74 Ų7455.7 Ų55.734%0.34330%0.301SS..Hα-helixtrans-66.3-43.8171.6-67.8144.1000112.2S611 E613 M614 R619 L620S611-H616 PolarHBondContact OG-ND1 2.88Å; E613-H616 HydrophobicContact CB-CB 4.44Å; E613-H616 PolarHBondContact O-N 3.19Å; E613-H616 VanDerWaalsContact O-N 3.17Å; E613-H616 IonicContact OE2-CE1 3.14Å; E613-H616 PolarHBondContact OE2-CE1 3.45Å; E613-H616 IonicContact OE2-ND1 2.81Å; E613-H616 PolarHBondContact OE2-ND1 2.97Å; E613-H616 VanDerWaalsContact OE2-ND1 3.17Å; M614-H616 VanDerWaalsContact C-N 3.33Å; M614-H616 PolarHBondContact O-N 2.51Å; H616-R619 PolarHBondContact O-N 3.26Å; H616-L620 WeakPolarHBondContact O-CB 3.25Å; H616-L620 PolarHBondContact O-N 3.23Å
617L97.9Very high94.4Very high5 Ų555.4 Ų55.43%0.02630%0.295CS..Hα-helixtrans-64.9-41.9176-67.9170.2000111.9Q556 I557 V610 E613 M614 L620 F621Q556-L617 HydrophobicContact CG-CD1 3.83Å; Q556-L617 HydrophobicContact CG-CD2 3.98Å; I557-L617 HydrophobicContact CD1-CB 4.25Å; I557-L617 HydrophobicContact CG1-CB 3.74Å; I557-L617 HydrophobicContact CG1-CD1 4.5Å; V610-L617 HydrophobicContact CG1-CD2 4.23Å; E613-L617 PolarHBondContact O-N 3.46Å; E613-L617 VanDerWaalsContact O-N 3.11Å; M614-L617 PolarHBondContact O-N 3.28Å; L617-L620 WeakPolarHBondContact O-CB 3.38Å; L617-L620 PolarHBondContact O-N 3.32Å; L617-F621 PolarHBondContact O-N 3.01Å
618Q98.6Very high94.7Very high11 Ų1153.4 Ų53.45%0.05128%0.281CS..Hα-helixtrans-63-41.5175.2-71.6170.3-11.800111.7I524 L525 F528 I557 M614 F621 L622I524-Q618 HydrophobicContact CG2-CB 3.6Å; L525-Q618 VanDerWaalsContact CD1-NE2 3.27Å; F528-Q618 HydrophobicContact CB-CB 3.98Å; F528-Q618 HydrophobicContact CB-CG 4.21Å; F528-Q618 HydrophobicContact CD1-CG 3.89Å; F528-Q618 HydrophobicContact CD2-CB 4.06Å; F528-Q618 HydrophobicContact CD2-CG 3.98Å; F528-Q618 HydrophobicContact CE1-CG 4.26Å; F528-Q618 HydrophobicContact CE2-CG 4.36Å; F528-Q618 HydrophobicContact CG-CB 3.93Å; F528-Q618 HydrophobicContact CG-CG 3.73Å; F528-Q618 HydrophobicContact CZ-CG 4.48Å; I557-Q618 HydrophobicContact CD1-CG 4.23Å; M614-Q618 HydrophobicContact CG-CG 4.49Å; M614-Q618 WeakPolarHBondContact O-CB 3.48Å; M614-Q618 VanDerWaalsContact O-CG 3.26Å; M614-Q618 WeakPolarHBondContact O-CG 3.47Å; M614-Q618 PolarHBondContact O-N 3.17Å; M614-Q618 HydrophobicContact SD-CG 4.26Å; M614-Q618 PolarHBondContact SD-NE2 3.4Å; Q618-F621 WeakPolarHBondContact O-CB 3.01Å; Q618-F621 PolarHBondContact O-N 2.88Å; Q618-L622 WeakPolarHBondContact O-CG 2.97Å; Q618-L622 PolarHBondContact O-N 2.82Å
619R98.2Very high95.4Very high52 Ų5245.7 Ų45.720%0.19625%0.248CC..Hα-helixtrans-65.1-38.7173.9-171176.5-178.8-1743.6111.9K516 V518 I524 H615 H616 F621 L622 Q623K516-R619 PolarHBondContact O-NH2 3.14Å; V518-R619 PolarHBondContact O-NE 3.33Å; V518-R619 PolarHBondContact O-NH1 3.03Å; V518-R619 PolarHBondContact O-NH2 3.45Å; I524-R619 HydrophobicContact CD1-CB 4.33Å; I524-R619 HydrophobicContact CG2-CB 4.23Å; H615-R619 VanDerWaalsContact O-CB 3.28Å; H615-R619 WeakPolarHBondContact O-CB 3.37Å; H615-R619 PolarHBondContact O-N 3.45Å; H616-R619 PolarHBondContact O-N 3.26Å; R619-F621 VanDerWaalsContact C-N 3.3Å; R619-F621 PolarHBondContact O-N 2.94Å; R619-L622 WeakPolarHBondContact O-CB 3.42Å; R619-L622 PolarHBondContact O-N 3.14Å; R619-Q623 WeakPolarHBondContact O-CG 3.41Å; R619-Q623 PolarHBondContact O-N 2.89Å
620L97.6Very high96.1Very high46 Ų4642 Ų4224%0.24121%0.21CC..Hα-helixtrans-63.7-35.8174.1-17759.4000112.1L553 V610 H616 L617 Q623 N624L553-L620 HydrophobicContact CD1-CG 4.25Å; L553-L620 HydrophobicContact CD2-CD2 3.65Å; L553-L620 HydrophobicContact CD2-CG 3.97Å; V610-L620 HydrophobicContact CG1-CD2 4.26Å; H616-L620 WeakPolarHBondContact O-CB 3.25Å; H616-L620 PolarHBondContact O-N 3.23Å; L617-L620 WeakPolarHBondContact O-CB 3.38Å; L617-L620 PolarHBondContact O-N 3.32Å; L620-Q623 VanDerWaalsContact CD1-OE1 3.32Å; L620-Q623 PolarHBondContact O-N 3.13Å; L620-N624 PolarHBondContact O-N 3.41Å; L620-N624 PolarHBondContact O-ND2 3.01Å
621F98.6Very high96.7Very high0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-63.4-46.1170.6-179.9-84.5000111.6F528 A531 R532 L535 L550 L553 L554 I557 L617 Q618 R619 Q623 N624 C625F528-F621 HydrophobicContact CD2-CB 4.07Å; F528-F621 AromaticContact CD2-CD1 3.56Å; F528-F621 HydrophobicContact CD2-CD1 3.56Å; F528-F621 HydrophobicContact CD2-CE1 4.18Å; F528-F621 AromaticContact CD2-CG 3.9Å; F528-F621 HydrophobicContact CD2-CG 3.9Å; F528-F621 HydrophobicContact CE2-CB 4.12Å; F528-F621 AromaticContact CE2-CD1 3.77Å; F528-F621 HydrophobicContact CE2-CD1 3.77Å; F528-F621 HydrophobicContact CE2-CD2 4.22Å; F528-F621 HydrophobicContact CE2-CE1 4.21Å; F528-F621 AromaticContact CE2-CG 3.77Å; F528-F621 HydrophobicContact CE2-CG 3.77Å; A531-F621 HydrophobicContact CB-CE1 3.98Å; R532-F621 HydrophobicContact CB-CE1 4.5Å; R532-F621 HydrophobicContact CB-CZ 4.46Å; L535-F621 HydrophobicContact CD2-CE2 3.95Å; L535-F621 HydrophobicContact CD2-CZ 3.71Å; L550-F621 HydrophobicContact CB-CD2 4.43Å; L550-F621 HydrophobicContact CB-CE2 3.89Å; L550-F621 HydrophobicContact CD2-CD2 3.65Å; L550-F621 HydrophobicContact CD2-CE2 3.6Å; L550-F621 HydrophobicContact CD2-CG 4.15Å; L550-F621 HydrophobicContact CD2-CZ 4.07Å; L550-F621 HydrophobicContact CG-CE2 4.28Å; L553-F621 HydrophobicContact CB-CD2 4.22Å; L553-F621 HydrophobicContact CD1-CB 4.39Å; L554-F621 HydrophobicContact CD1-CE2 3.86Å; L554-F621 HydrophobicContact CD1-CZ 4.37Å; L554-F621 HydrophobicContact CD2-CD2 4.06Å; L554-F621 HydrophobicContact CD2-CE2 3.73Å; L554-F621 HydrophobicContact CD2-CZ 4.26Å; L554-F621 HydrophobicContact CG-CD2 4.05Å; L554-F621 HydrophobicContact CG-CE2 3.56Å; L554-F621 HydrophobicContact CG-CZ 4.39Å; I557-F621 HydrophobicContact CD1-CB 4.3Å; L617-F621 PolarHBondContact O-N 3.01Å; Q618-F621 WeakPolarHBondContact O-CB 3.01Å; Q618-F621 PolarHBondContact O-N 2.88Å; R619-F621 VanDerWaalsContact C-N 3.3Å; R619-F621 PolarHBondContact O-N 2.94Å; F621-Q623 PolarHBondContact O-N 3.16Å; F621-N624 PolarHBondContact O-N 3.49Å; F621-C625 VanDerWaalsContact CE1-SG 3.55Å; F621-C625 PolarHBondContact O-N 2.94Å; F621-C625 PolarHBondContact O-SG 2.84Å
622L98.6Very high97Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-61-41.7175.8-68.8173.4000112.3I524 L527 A531 Q618 R619 N624 C625 W626I524-L622 HydrophobicContact CG2-CD1 4.36Å; L527-L622 HydrophobicContact CB-CD1 3.75Å; L527-L622 HydrophobicContact CB-CD2 4.13Å; A531-L622 HydrophobicContact CB-CD2 3.66Å; Q618-L622 WeakPolarHBondContact O-CG 2.97Å; Q618-L622 PolarHBondContact O-N 2.82Å; R619-L622 WeakPolarHBondContact O-CB 3.42Å; R619-L622 PolarHBondContact O-N 3.14Å; L622-N624 PolarHBondContact O-N 3.07Å; L622-C625 CarbonylContact O-C 3.59Å; L622-C625 WeakPolarHBondContact O-CA 3.46Å; L622-C625 WeakPolarHBondContact O-CB 3.22Å; L622-C625 PolarHBondContact O-N 3.33Å; L622-W626 HydrophobicContact CB-CZ2 4.12Å; L622-W626 VanDerWaalsContact O-CD1 3.32Å; L622-W626 VanDerWaalsContact O-CG 3.26Å; L622-W626 PolarHBondContact O-N 2.86Å
623Q98.1Very high97.6Very high89 Ų8935.9 Ų35.942%0.41618%0.181SC..Hα-helixtrans-54.8-40174.2-78.2170.9-7.800112.5R619 L620 F621 C625 W626R619-Q623 WeakPolarHBondContact O-CG 3.41Å; R619-Q623 PolarHBondContact O-N 2.89Å; L620-Q623 VanDerWaalsContact CD1-OE1 3.32Å; L620-Q623 PolarHBondContact O-N 3.13Å; F621-Q623 PolarHBondContact O-N 3.16Å; Q623-C625 VanDerWaalsContact C-N 3.27Å; Q623-C625 PolarHBondContact O-N 2.65Å; Q623-W626 HydrophobicContact CB-CE3 4.2Å; Q623-W626 HydrophobicContact CB-CZ3 4.17Å; Q623-W626 HydrophobicContact CG-CE3 3.82Å; Q623-W626 HydrophobicContact CG-CH2 3.77Å; Q623-W626 HydrophobicContact CG-CZ3 3.29Å
624N98.2Very high97.8Very high33 Ų3331.1 Ų31.118%0.17616%0.16CC..Hα-helixtrans-74.7-16175.6-81.3-82.1000113.6K546 L550 L620 F621 L622K546-N624 HydrophobicContact CD-CB 4.28Å; K546-N624 WeakPolarHBondContact CD-O 2.99Å; K546-N624 PolarHBondContact NZ-O 2.82Å; L550-N624 HydrophobicContact CD2-CB 3.53Å; L550-N624 HydrophobicContact CG-CB 4.38Å; L620-N624 PolarHBondContact O-N 3.41Å; L620-N624 PolarHBondContact O-ND2 3.01Å; F621-N624 PolarHBondContact O-N 3.49Å; L622-N624 PolarHBondContact O-N 3.07Å
625C98.5Very high97.8Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-92.2-27.7176.5-63.40000112.8F540 F621 L622 Q623 D627 I628 Y631F540-C625 HydrophobicContact CE2-CB 3.97Å; F621-C625 VanDerWaalsContact CE1-SG 3.55Å; F621-C625 PolarHBondContact O-N 2.94Å; F621-C625 PolarHBondContact O-SG 2.84Å; L622-C625 CarbonylContact O-C 3.59Å; L622-C625 WeakPolarHBondContact O-CA 3.46Å; L622-C625 WeakPolarHBondContact O-CB 3.22Å; L622-C625 PolarHBondContact O-N 3.33Å; Q623-C625 VanDerWaalsContact C-N 3.27Å; Q623-C625 PolarHBondContact O-N 2.65Å; C625-D627 PolarHBondContact O-N 2.58Å; C625-I628 HydrophobicContact CB-CD1 4.4Å; C625-I628 VanDerWaalsContact O-CB 3.24Å; C625-I628 WeakPolarHBondContact O-CB 3.37Å; C625-I628 WeakPolarHBondContact O-CG1 3.28Å; C625-I628 PolarHBondContact O-N 2.85Å; C625-Y631 HydrophobicContact CB-CD2 3.69Å; C625-Y631 HydrophobicContact CB-CE2 3.73Å; C625-Y631 WeakPolarHBondContact O-CB 3.34Å; C625-Y631 WeakPolarHBondContact O-CD2 3.46Å
626W98.2Very high97.8Very high20 Ų2026.8 Ų26.88%0.07614%0.138CC..THydrogen-bonded Turntrans-61.1-26.5-173.6-70.5-23.5000114.8L512 E515 K516 L622 Q623 Y631 K661L512-W626 HydrophobicContact CD1-CB 4.05Å; L512-W626 HydrophobicContact CD1-CD2 4.47Å; L512-W626 HydrophobicContact CD1-CG 3.78Å; L512-W626 HydrophobicContact CD2-CB 4.37Å; E515-W626 PolarHBondContact OE1-NE1 3.41Å; K516-W626 HydrophobicContact CB-CH2 4.23Å; K516-W626 HydrophobicContact CB-CZ3 4.13Å; K516-W626 HydrophobicContact CD-CE3 4.41Å; K516-W626 HydrophobicContact CG-CD2 4.06Å; K516-W626 HydrophobicContact CG-CE3 3.54Å; K516-W626 HydrophobicContact CG-CH2 3.96Å; K516-W626 HydrophobicContact CG-CZ2 4.4Å; K516-W626 HydrophobicContact CG-CZ3 3.49Å; K516-W626 VanDerWaalsContact CG-CZ3 3.49Å; L622-W626 HydrophobicContact CB-CZ2 4.12Å; L622-W626 VanDerWaalsContact O-CD1 3.32Å; L622-W626 VanDerWaalsContact O-CG 3.26Å; L622-W626 PolarHBondContact O-N 2.86Å; Q623-W626 HydrophobicContact CB-CE3 4.2Å; Q623-W626 HydrophobicContact CB-CZ3 4.17Å; Q623-W626 HydrophobicContact CG-CE3 3.82Å; Q623-W626 HydrophobicContact CG-CH2 3.77Å; Q623-W626 HydrophobicContact CG-CZ3 3.29Å; W626-Y631 AromaticContact CD1-CD1 3.94Å; W626-Y631 AromaticContact CD1-CE1 3.4Å; W626-Y631 VanDerWaalsContact CD1-CE1 3.4Å; W626-Y631 AromaticContact CD1-CZ 3.5Å; W626-Y631 AromaticContact NE1-CE1 3.89Å; W626-Y631 AromaticContact NE1-CZ 3.81Å; W626-K661 WeakPolarHBondContact O-CE 3.21Å; W626-K661 PolarHBondContact O-NZ 3.17Å
627D95.8Very high97.8Very high95 Ų9524.8 Ų24.851%0.50813%0.131SC..THydrogen-bonded Turntrans-83.7-15.3176.263.5-27.1000113K546 C625 K661K546-D627 WeakPolarHBondContact CE-OD2 3.3Å; K546-D627 IonicContact NZ-OD1 3.32Å; K546-D627 PolarHBondContact NZ-OD1 2.94Å; K546-D627 IonicContact NZ-OD2 2.74Å; K546-D627 PolarHBondContact NZ-OD2 3.41Å; C625-D627 PolarHBondContact O-N 2.58Å; D627-K661 PolarHBondContact O-NZ 3.28Å
628I97.7Very high97.6Very high5 Ų525 Ų253%0.02613%0.134CC..SBendtrans-62.9129.7177.5-57.9-180000109.5F540 A542 L550 C625 T630 Y631 K661F540-I628 HydrophobicContact CB-CD1 3.89Å; F540-I628 HydrophobicContact CB-CG2 3.95Å; F540-I628 HydrophobicContact CD1-CG2 4.16Å; F540-I628 HydrophobicContact CD2-CD1 3.76Å; F540-I628 HydrophobicContact CG-CD1 3.93Å; F540-I628 HydrophobicContact CG-CG2 4.08Å; A542-I628 HydrophobicContact CB-CD1 4.29Å; L550-I628 HydrophobicContact CD1-CD1 4.26Å; C625-I628 HydrophobicContact CB-CD1 4.4Å; C625-I628 VanDerWaalsContact O-CB 3.24Å; C625-I628 WeakPolarHBondContact O-CB 3.37Å; C625-I628 WeakPolarHBondContact O-CG1 3.28Å; C625-I628 PolarHBondContact O-N 2.85Å; I628-T630 VanDerWaalsContact C-N 3.3Å; I628-T630 PolarHBondContact O-N 3.35Å; I628-Y631 VanDerWaalsContact O-CB 3.31Å; I628-Y631 WeakPolarHBondContact O-CB 3.39Å; I628-Y631 PolarHBondContact O-N 2.77Å; I628-Y631 VanDerWaalsContact O-N 3.1Å; I628-K661 PolarHBondContact O-NZ 2.92Å
629P97.6Very high97.4Very high37 Ų3727.3 Ų27.324%0.2415%0.145CC..THydrogen-bonded Turntrans-54.8-42.7-172.2-30.135.8000113.8Y631 N659 H664 L673P629-Y631 VanDerWaalsContact C-N 3.32Å; P629-Y631 PolarHBondContact O-N 2.78Å; P629-N659 PolarHBondContact O-ND2 3.22Å; P629-H664 PolarHBondContact O-CE1 2.84Å; P629-H664 VanDerWaalsContact O-CE1 3.22Å; P629-H664 PolarHBondContact O-NE2 3.07Å; P629-L673 HydrophobicContact CB-CD2 4.34Å; P629-L673 HydrophobicContact CG-CD2 4.16Å
630T98.1Very high97.1Very high0 Ų025.9 Ų25.90%014%0.142CC..THydrogen-bonded Turntrans-87.79.7-175.954.80000114.4Y539 P541 I628 G632 A633 F635 H664 L673Y539-T630 PolarHBondContact O-OG1 3.03Å; P541-T630 WeakPolarHBondContact CD-OG1 3.19Å; P541-T630 HydrophobicContact CG-CG2 4.21Å; I628-T630 VanDerWaalsContact C-N 3.3Å; I628-T630 PolarHBondContact O-N 3.35Å; T630-G632 PolarHBondContact O-N 2.99Å; T630-A633 VanDerWaalsContact O-CB 3.23Å; T630-A633 WeakPolarHBondContact O-CB 3.45Å; T630-A633 PolarHBondContact O-N 3.33Å; T630-F635 HydrophobicContact CG2-CE1 4.32Å; T630-F635 HydrophobicContact CG2-CZ 4.18Å; T630-H664 HydrophobicContact CG2-CB 3.77Å; T630-L673 HydrophobicContact CG2-CD1 4.4Å
631Y98.4Very high96.6Very high7 Ų728.1 Ų28.13%0.02715%0.148CC..THydrogen-bonded Turntrans-56.9131.8178.6-175.7-98000111.6L512 E515 A531 F540 C625 W626 I628 P629 A633 N659L512-Y631 HydrophobicContact CD1-CD1 3.98Å; L512-Y631 HydrophobicContact CD1-CE1 3.95Å; E515-Y631 WeakPolarHBondContact OE1-CE1 3.33Å; E515-Y631 VanDerWaalsContact OE1-CZ 3.27Å; E515-Y631 PolarHBondContact OE1-OH 3.05Å; A531-Y631 HydrophobicContact CB-CE2 4.27Å; F540-Y631 HydrophobicContact CE1-CD2 4.24Å; F540-Y631 HydrophobicContact CE2-CD2 4.27Å; F540-Y631 AromaticContact CZ-CD2 3.64Å; F540-Y631 HydrophobicContact CZ-CD2 3.64Å; F540-Y631 HydrophobicContact CZ-CE2 4.14Å; C625-Y631 HydrophobicContact CB-CD2 3.69Å; C625-Y631 HydrophobicContact CB-CE2 3.73Å; C625-Y631 WeakPolarHBondContact O-CB 3.34Å; C625-Y631 WeakPolarHBondContact O-CD2 3.46Å; W626-Y631 AromaticContact CD1-CD1 3.94Å; W626-Y631 AromaticContact CD1-CE1 3.4Å; W626-Y631 VanDerWaalsContact CD1-CE1 3.4Å; W626-Y631 AromaticContact CD1-CZ 3.5Å; W626-Y631 AromaticContact NE1-CE1 3.89Å; W626-Y631 AromaticContact NE1-CZ 3.81Å; I628-Y631 VanDerWaalsContact O-CB 3.31Å; I628-Y631 WeakPolarHBondContact O-CB 3.39Å; I628-Y631 PolarHBondContact O-N 2.77Å; I628-Y631 VanDerWaalsContact O-N 3.1Å; P629-Y631 VanDerWaalsContact C-N 3.32Å; P629-Y631 PolarHBondContact O-N 2.78Å; Y631-A633 PolarHBondContact O-N 2.96Å; Y631-N659 WeakPolarHBondContact O-CB 3.4Å; Y631-N659 PolarHBondContact O-ND2 3.43Å
632G97.3Very high95.6Very high18 Ų1830.2 Ų30.219%0.18616%0.16CC..THydrogen-bonded Turntrans66.616.8179.300000115.4T630T630-G632 PolarHBondContact O-N 2.99Å
633A98.1Very high93.9Very high12 Ų1239.5 Ų39.510%0.09920%0.201CC..PPolyproline II helixtrans-77.2138-178.700000114T630 Y631 F635 V658 N659T630-A633 VanDerWaalsContact O-CB 3.23Å; T630-A633 WeakPolarHBondContact O-CB 3.45Å; T630-A633 PolarHBondContact O-N 3.33Å; Y631-A633 PolarHBondContact O-N 2.96Å; A633-F635 HydrophobicContact CB-CE2 4.12Å; A633-F635 HydrophobicContact CB-CZ 4.18Å; A633-V658 WeakPolarHBondContact CA-O 3.33Å; A633-N659 HydrophobicContact CB-CB 3.94Å
634A97.8Very high91.8Very high7 Ų739 Ų396%0.05821%0.212CC..EExtended strand (participates in β ladder)trans-76.8123.815700000108.4W460 V508 F636 G657 V658 L717W460-A634 HydrophobicContact CH2-CB 3.94Å; W460-A634 HydrophobicContact CZ3-CB 4.45Å; V508-A634 HydrophobicContact CG2-CB 3.88Å; A634-F636 HydrophobicContact CB-CE2 3.96Å; A634-F636 HydrophobicContact CB-CZ 4.26Å; A634-G657 WeakPolarHBondContact O-CA 3.32Å; A634-V658 PolarHBondContact N-O 3.14Å; A634-V658 PolarHBondContact O-N 2.89Å; A634-L717 HydrophobicContact CB-CD2 3.88Å
635F97.1Very high89.5Confident37 Ų3740.7 Ų40.716%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-99.6131.3178.8-73-77.6000111.4Y539 T630 A633 Y655 V656 M666Y539-F635 HydrophobicContact CD1-CD1 4.25Å; Y539-F635 AromaticContact CD1-CD2 3.77Å; Y539-F635 HydrophobicContact CD1-CD2 3.77Å; Y539-F635 HydrophobicContact CD1-CE1 4.05Å; Y539-F635 AromaticContact CD1-CE2 3.56Å; Y539-F635 HydrophobicContact CD1-CE2 3.56Å; Y539-F635 HydrophobicContact CD1-CG 4.09Å; Y539-F635 AromaticContact CD1-CZ 3.68Å; Y539-F635 HydrophobicContact CD1-CZ 3.68Å; Y539-F635 HydrophobicContact CE1-CD2 4.19Å; Y539-F635 HydrophobicContact CE1-CE2 4.42Å; Y539-F635 HydrophobicContact CE1-CG 4.24Å; Y539-F635 HydrophobicContact CG-CD2 4.26Å; Y539-F635 AromaticContact CG-CE2 3.81Å; Y539-F635 HydrophobicContact CG-CE2 3.81Å; Y539-F635 HydrophobicContact CG-CZ 4.15Å; T630-F635 HydrophobicContact CG2-CE1 4.32Å; T630-F635 HydrophobicContact CG2-CZ 4.18Å; A633-F635 HydrophobicContact CB-CE2 4.12Å; A633-F635 HydrophobicContact CB-CZ 4.18Å; F635-Y655 HydrophobicContact CB-CD1 4.46Å; F635-V656 WeakPolarHBondContact CA-O 3.45Å; F635-M666 HydrophobicContact CE1-CE 4.08Å
636F97.2Very high87.1Confident14 Ų1446 Ų466%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-116.4165.1173.8-56.2-90.2000109.6A634 Y655 V656 V658 Q710 L713 I714 L717A634-F636 HydrophobicContact CB-CE2 3.96Å; A634-F636 HydrophobicContact CB-CZ 4.26Å; F636-Y655 CarbonylContact O-C 3.21Å; F636-Y655 VanDerWaalsContact O-CA 3.29Å; F636-Y655 WeakPolarHBondContact O-CA 3.4Å; F636-V656 HydrophobicContact CB-CB 4.23Å; F636-V656 WeakPolarHBondContact CD2-O 3.34Å; F636-V656 PolarHBondContact N-O 2.99Å; F636-V656 PolarHBondContact O-N 2.97Å; F636-V658 HydrophobicContact CD2-CG2 4.48Å; F636-V658 HydrophobicContact CE2-CB 4.47Å; F636-V658 HydrophobicContact CE2-CG2 4.3Å; F636-Q710 VanDerWaalsContact CA-OE1 3.3Å; F636-Q710 HydrophobicContact CB-CB 4.46Å; F636-Q710 HydrophobicContact CD1-CB 3.98Å; F636-Q710 HydrophobicContact CD1-CG 4.27Å; F636-L713 HydrophobicContact CE1-CB 4Å; F636-I714 HydrophobicContact CB-CD1 3.71Å; F636-I714 HydrophobicContact CB-CG1 3.89Å; F636-I714 HydrophobicContact CD1-CD1 4.46Å; F636-I714 HydrophobicContact CD1-CG1 3.86Å; F636-I714 HydrophobicContact CD2-CD1 4.28Å; F636-I714 HydrophobicContact CD2-CG1 3.55Å; F636-I714 HydrophobicContact CE1-CG1 4.26Å; F636-I714 HydrophobicContact CE2-CG1 3.98Å; F636-I714 HydrophobicContact CG-CD1 3.91Å; F636-I714 HydrophobicContact CG-CG1 3.48Å; F636-I714 VanDerWaalsContact CG-CG1 3.48Å; F636-I714 HydrophobicContact CZ-CG1 4.31Å; F636-L717 HydrophobicContact CE2-CD2 3.93Å; F636-L717 HydrophobicContact CZ-CD2 4.03Å
637T95.6Very high85Confident33 Ų3349.8 Ų49.820%0.20230%0.3CS..EExtended strand (participates in β ladder)trans-107.3139.3178.558.50000111.1Y655 M668 T708 Q710T637-Y655 HydrophobicContact CG2-CD1 4.38Å; T637-Y655 HydrophobicContact CG2-CE1 4.19Å; T637-M668 HydrophobicContact CG2-CE 3.68Å; T637-T708 VanDerWaalsContact O-CB 3.22Å; T637-T708 WeakPolarHBondContact O-CB 3.48Å; T637-T708 PolarHBondContact O-OG1 3.4Å; T637-Q710 VanDerWaalsContact N-OE1 3.16Å; T637-Q710 PolarHBondContact OG1-NE2 3.43Å
638G94.1Very high83.1Confident8 Ų851.4 Ų51.48%0.08231%0.308CS..EExtended strand (participates in β ladder)trans-158.8-177.4176.100000114.1V654 H707G638-V654 PolarHBondContact N-O 2.76Å; G638-V654 PolarHBondContact O-N 2.76Å; G638-H707 CarbonylContact C-O 3.53Å; G638-H707 VanDerWaalsContact CA-O 3.27Å; G638-H707 WeakPolarHBondContact CA-O 3.42Å
639Q94.3Very high81.6Confident60 Ų6056.5 Ų56.528%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-132.4140.4179.1-66.4176.3-14.800110.6V651 I652 R653 H707Q639-V651 HydrophobicContact CB-CG1 4.04Å; Q639-V651 HydrophobicContact CG-CG1 4.05Å; Q639-I652 WeakPolarHBondContact CA-O 3.47Å; Q639-R653 HydrophobicContact CG-CG 4.36Å; Q639-H707 PolarHBondContact N-O 3.05Å; Q639-H707 PolarHBondContact O-N 3.26Å
640V92.4Very high80.8Confident22 Ų2262 Ų6213%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-122137.9174-178.80000108.9I652 V654 L665 V706V640-I652 PolarHBondContact N-O 3.49Å; V640-I652 PolarHBondContact O-N 3.28Å; V640-V654 HydrophobicContact CG2-CG1 4.19Å; V640-V654 HydrophobicContact CG2-CG2 3.93Å; V640-L665 HydrophobicContact CG2-CD1 4.23Å; V640-V706 HydrophobicContact CG2-CG2 4.01Å
641Y86.2Confident80.4Confident94 Ų9465.1 Ų65.137%0.36937%0.371SS..EExtended strand (participates in β ladder)trans-103.1123.8178.4-62.3-88.5000109.8H649 V651 H707Y641-H649 HydrophobicContact CD1-CB 4.1Å; Y641-V651 HydrophobicContact CD1-CG2 3.86Å; Y641-V651 HydrophobicContact CE1-CB 4.42Å; Y641-V651 HydrophobicContact CE1-CG1 4.34Å; Y641-V651 HydrophobicContact CE1-CG2 3.5Å; Y641-H707 AromaticContact CD2-CD2 3.48Å; Y641-H707 VanDerWaalsContact CD2-CD2 3.48Å; Y641-H707 WeakPolarHBondContact CD2-CD2 3.46Å; Y641-H707 AromaticContact CD2-NE2 3.68Å; Y641-H707 HydrophobicContact CE2-CB 4.26Å; Y641-H707 AromaticContact CE2-CD2 3.33Å; Y641-H707 WeakPolarHBondContact CE2-CD2 3.45Å; Y641-H707 AromaticContact CE2-CG 3.73Å; Y641-H707 AromaticContact CE2-NE2 3.7Å
642T78.5Confident80.1Confident43 Ų4366.7 Ų66.726%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-85.7139.917860.20000111.8A644 K650 I652T642-A644 PolarHBondContact O-N 2.96Å; T642-K650 PolarHBondContact N-O 2.86Å; T642-K650 PolarHBondContact OG1-O 3.32Å; T642-I652 HydrophobicContact CG2-CD1 3.38Å; T642-I652 HydrophobicContact CG2-CG1 4.08Å
643K63.3Low80Confident195 Ų19572.7 Ų72.785%0.84840%0.396SS*.  trans-79.353.6173.2-63.3-176.1178.5-179.50112.4
644A54.3Low79.9Confident78 Ų7872.1 Ų72.165%0.64539%0.392SS*.SBendtrans-81.2-23.3-173.600000113.9T642T642-A644 PolarHBondContact O-N 2.96Å
645S48.2Very low79.9Confident69 Ų6972.9 Ų72.948%0.48339%0.393SS..  trans-172.2160.6174.3175.20000111.8S647S645-S647 PolarHBondContact O-N 2.89Å; S645-S647 VanDerWaalsContact O-N 3.13Å
646A49.4Very low79.9Confident112 Ų11271.1 Ų71.193%0.92639%0.386SS*.THydrogen-bonded Turntrans-62.1-12.8-179.900000115.2
647S54.2Low79.9Confident99 Ų9970.5 Ų70.569%0.69238%0.383SS*.THydrogen-bonded Turntrans-123.4-3.5-174.857.80000116.2S645S645-S647 PolarHBondContact O-N 2.89Å; S645-S647 VanDerWaalsContact O-N 3.13Å
648N54.9Low80.1Confident129 Ų12968.9 Ų68.969%0.6937%0.373SS*.  trans-154.3106.6177.4-97-25.1000112.3K650N648-K650 PolarHBondContact O-N 3.39Å
649H66.6Low80.3Confident112 Ų11268.5 Ų68.552%0.51937%0.369SS..  trans-81.5113168.9-67.785.1000109.2Y641 V651Y641-H649 HydrophobicContact CD1-CB 4.1Å; H649-V651 PolarHBondContact O-N 3.22Å
650K81.8Confident80.3Confident152 Ų15266.7 Ų66.766%0.66136%0.362SS*.EExtended strand (participates in β ladder)trans-70.5123.8170.7-172.4176.71801770109.2T642 N648T642-K650 PolarHBondContact N-O 2.86Å; T642-K650 PolarHBondContact OG1-O 3.32Å; N648-K650 PolarHBondContact O-N 3.39Å
651V88.5Confident80.5Confident67 Ų6768 Ų6841%0.40637%0.366SS..EExtended strand (participates in β ladder)trans-81.3120.6174.7-172.10000108.9Q639 Y641 H649Q639-V651 HydrophobicContact CB-CG1 4.04Å; Q639-V651 HydrophobicContact CG-CG1 4.05Å; Y641-V651 HydrophobicContact CD1-CG2 3.86Å; Y641-V651 HydrophobicContact CE1-CB 4.42Å; Y641-V651 HydrophobicContact CE1-CG1 4.34Å; Y641-V651 HydrophobicContact CE1-CG2 3.5Å; H649-V651 PolarHBondContact O-N 3.22Å
652I92.1Very high81Confident40 Ų4063.5 Ų63.521%0.20535%0.349CS..EExtended strand (participates in β ladder)trans-107117.4173-57-178.4000107.9Q639 V640 T642 V654 L674Q639-I652 WeakPolarHBondContact CA-O 3.47Å; V640-I652 PolarHBondContact N-O 3.49Å; V640-I652 PolarHBondContact O-N 3.28Å; T642-I652 HydrophobicContact CG2-CD1 3.38Å; T642-I652 HydrophobicContact CG2-CG1 4.08Å; I652-V654 HydrophobicContact CG2-CG1 3.95Å; I652-L674 HydrophobicContact CG2-CD1 4.25Å
653R94.7Very high81.9Confident143 Ų14361.5 Ų61.554%0.5434%0.336SS..EExtended strand (participates in β ladder)trans-76.3130.4171.7-65.4-178.1-179.1-168.51109.5Q639 M668Q639-R653 HydrophobicContact CG-CG 4.36Å; R653-M668 HydrophobicContact CB-CB 3.89Å; R653-M668 HydrophobicContact CB-SD 4.1Å; R653-M668 WeakPolarHBondContact O-CB 3.11Å; R653-M668 PolarHBondContact O-N 3.48Å
654V96.1Very high83.5Confident0 Ų052.3 Ų52.30%030%0.296CS..EExtended strand (participates in β ladder)trans-129.8145.2-175.4-61.90000111.5G638 V640 I652 V656 L665 M666 M668 L674 V706G638-V654 PolarHBondContact N-O 2.76Å; G638-V654 PolarHBondContact O-N 2.76Å; V640-V654 HydrophobicContact CG2-CG1 4.19Å; V640-V654 HydrophobicContact CG2-CG2 3.93Å; I652-V654 HydrophobicContact CG2-CG1 3.95Å; V654-V656 HydrophobicContact CG2-CG2 4.22Å; V654-L665 HydrophobicContact CG2-CD2 4.31Å; V654-M666 CarbonylContact C-O 3.38Å; V654-M666 WeakPolarHBondContact CA-O 3.42Å; V654-M668 WeakPolarHBondContact O-CE 2.98Å; V654-L674 HydrophobicContact CG1-CD1 3.75Å; V654-V706 HydrophobicContact CG2-CG1 4.32Å
655Y97.7Very high85.5Confident24 Ų2448.8 Ų48.89%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-81.9136.8152.8-70.6-71000109.2Y539 F635 F636 T637 L665 M666 M668 K671Y539-Y655 HydrophobicContact CE1-CD1 4.47Å; Y539-Y655 HydrophobicContact CE1-CD2 4.34Å; Y539-Y655 HydrophobicContact CE1-CE1 4.36Å; Y539-Y655 HydrophobicContact CE1-CE2 4.24Å; Y539-Y655 HydrophobicContact CE1-CG 4.45Å; F635-Y655 HydrophobicContact CB-CD1 4.46Å; F636-Y655 CarbonylContact O-C 3.21Å; F636-Y655 VanDerWaalsContact O-CA 3.29Å; F636-Y655 WeakPolarHBondContact O-CA 3.4Å; T637-Y655 HydrophobicContact CG2-CD1 4.38Å; T637-Y655 HydrophobicContact CG2-CE1 4.19Å; Y655-L665 WeakPolarHBondContact O-CA 3.31Å; Y655-M666 HydrophobicContact CD2-CE 3.77Å; Y655-M666 HydrophobicContact CG-CE 4.23Å; Y655-M666 PolarHBondContact N-O 3.48Å; Y655-M666 PolarHBondContact O-N 3.06Å; Y655-M668 HydrophobicContact CD1-CE 4.25Å; Y655-M668 HydrophobicContact CD2-CB 4.18Å; Y655-M668 HydrophobicContact CD2-CG 4.12Å; Y655-M668 HydrophobicContact CE1-CE 4.12Å; Y655-M668 HydrophobicContact CE2-CB 4.08Å; Y655-M668 HydrophobicContact CE2-CG 3.57Å; Y655-K671 HydrophobicContact CD2-CD 4.13Å; Y655-K671 HydrophobicContact CE2-CD 3.89Å; Y655-K671 VanDerWaalsContact CE2-CE 3.45Å
656V97.9Very high87.8Confident0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-107.1103.1172.6-172.20000106.9F635 F636 V654 V658 L663 H664 L665 F693 V706 I714F635-V656 WeakPolarHBondContact CA-O 3.45Å; F636-V656 HydrophobicContact CB-CB 4.23Å; F636-V656 WeakPolarHBondContact CD2-O 3.34Å; F636-V656 PolarHBondContact N-O 2.99Å; F636-V656 PolarHBondContact O-N 2.97Å; V654-V656 HydrophobicContact CG2-CG2 4.22Å; V656-V658 HydrophobicContact CG1-CG2 4.48Å; V656-L663 HydrophobicContact CG1-CD1 3.48Å; V656-L663 VanDerWaalsContact CG1-CD1 3.48Å; V656-H664 CarbonylContact C-O 3.51Å; V656-L665 HydrophobicContact CB-CD2 4.15Å; V656-L665 HydrophobicContact CG1-CD2 4.01Å; V656-L665 HydrophobicContact CG2-CD2 3.77Å; V656-F693 HydrophobicContact CG1-CZ 3.93Å; V656-V706 HydrophobicContact CG2-CG1 3.79Å; V656-I714 HydrophobicContact CB-CD1 4.33Å; V656-I714 HydrophobicContact CG1-CD1 4.24Å; V656-I714 HydrophobicContact CG1-CG2 4.27Å; V656-I714 HydrophobicContact CG2-CD1 4.48Å
657G98.2Very high90Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-88.9131.1174.600000110.8A634 H664A634-G657 WeakPolarHBondContact O-CA 3.32Å; G657-H664 PolarHBondContact N-O 3.01Å; G657-H664 PolarHBondContact O-N 3.46Å
658V98.3Very high91.8Very high0 Ų038.7 Ų38.70%018%0.183CC..EExtended strand (participates in β ladder)trans-127.3124.6173.1-177.10000109.2A633 A634 F636 V656 G662 L663 I714 L717 L718 L721A633-V658 WeakPolarHBondContact CA-O 3.33Å; A634-V658 PolarHBondContact N-O 3.14Å; A634-V658 PolarHBondContact O-N 2.89Å; F636-V658 HydrophobicContact CD2-CG2 4.48Å; F636-V658 HydrophobicContact CE2-CB 4.47Å; F636-V658 HydrophobicContact CE2-CG2 4.3Å; V656-V658 HydrophobicContact CG1-CG2 4.48Å; V658-G662 WeakPolarHBondContact CA-O 3.48Å; V658-L663 HydrophobicContact CG2-CD1 3.74Å; V658-I714 HydrophobicContact CG2-CG2 4.11Å; V658-L717 HydrophobicContact CB-CD2 3.83Å; V658-L717 HydrophobicContact CB-CG 4.37Å; V658-L717 HydrophobicContact CG1-CB 4.41Å; V658-L717 HydrophobicContact CG1-CD2 3.8Å; V658-L717 HydrophobicContact CG1-CG 3.78Å; V658-L718 HydrophobicContact CG1-CD2 3.75Å; V658-L718 HydrophobicContact CG1-CG 4.18Å; V658-L718 HydrophobicContact CG2-CD2 4.21Å; V658-L718 HydrophobicContact CG2-CG 4.38Å; V658-L721 HydrophobicContact CG1-CD1 4.12Å
659N97.9Very high93.5Very high0 Ų039.4 Ų39.40%018%0.182CC..  trans-139.7-170.5177.664.110.9000110.8P629 Y631 A633 K661 G662 H664 Y679 L721P629-N659 PolarHBondContact O-ND2 3.22Å; Y631-N659 WeakPolarHBondContact O-CB 3.4Å; Y631-N659 PolarHBondContact O-ND2 3.43Å; A633-N659 HydrophobicContact CB-CB 3.94Å; N659-K661 PolarHBondContact O-N 3.21Å; N659-K661 WeakPolarHBondContact OD1-CA 3.16Å; N659-K661 VanDerWaalsContact OD1-CB 3.3Å; N659-K661 WeakPolarHBondContact OD1-CB 3.4Å; N659-K661 PolarHBondContact OD1-N 2.95Å; N659-G662 PolarHBondContact N-O 3.08Å; N659-G662 PolarHBondContact O-N 3.2Å; N659-G662 PolarHBondContact OD1-N 2.86Å; N659-G662 PolarHBondContact OD1-O 3.1Å; N659-H664 PolarHBondContact ND2-NE2 3.18Å; N659-H664 PolarHBondContact OD1-NE2 3.08Å; N659-H664 VanDerWaalsContact OD1-NE2 3.07Å; N659-Y679 VanDerWaalsContact O-CE2 3.28Å; N659-Y679 WeakPolarHBondContact O-CE2 3.48Å; N659-Y679 PolarHBondContact O-OH 3.31Å; N659-Y679 VanDerWaalsContact O-OH 3.08Å; N659-L721 VanDerWaalsContact C-CD1 3.41Å; N659-L721 VanDerWaalsContact O-CD1 3.27Å; N659-L721 WeakPolarHBondContact O-CD1 3.29Å
660T95.8Very high94.7Very high22 Ų2237.7 Ų37.714%0.13518%0.179CC..SBendtrans-67.6-11.8177.955.80000114.4L510L510-T660 WeakPolarHBondContact O-CG2 3.39Å
661K95.9Very high95.2Very high49 Ų4932.3 Ų32.321%0.21316%0.156CC..SBendtrans-89-40.4176.4-56.2-179179.1179.90111.8W626 D627 I628 N659 E678 Y679W626-K661 WeakPolarHBondContact O-CE 3.21Å; W626-K661 PolarHBondContact O-NZ 3.17Å; D627-K661 PolarHBondContact O-NZ 3.28Å; I628-K661 PolarHBondContact O-NZ 2.92Å; N659-K661 PolarHBondContact O-N 3.21Å; N659-K661 WeakPolarHBondContact OD1-CA 3.16Å; N659-K661 VanDerWaalsContact OD1-CB 3.3Å; N659-K661 WeakPolarHBondContact OD1-CB 3.4Å; N659-K661 PolarHBondContact OD1-N 2.95Å; K661-E678 WeakPolarHBondContact O-CA 3.2Å; K661-Y679 VanDerWaalsContact O-CD2 3.32Å; K661-Y679 WeakPolarHBondContact O-CD2 3.42Å; K661-Y679 PolarHBondContact O-N 3.25Å
662G95.9Very high95.4Very high0 Ų032.8 Ų32.80%016%0.159CC..EExtended strand (participates in β ladder)trans160.9-140.3179.300000114.7V658 N659 L677V658-G662 WeakPolarHBondContact CA-O 3.48Å; N659-G662 PolarHBondContact N-O 3.08Å; N659-G662 PolarHBondContact O-N 3.2Å; N659-G662 PolarHBondContact OD1-N 2.86Å; N659-G662 PolarHBondContact OD1-O 3.1Å; G662-L677 CarbonylContact C-O 3.51Å; G662-L677 VanDerWaalsContact CA-O 3.32Å; G662-L677 WeakPolarHBondContact CA-O 3.35Å
663L97.6Very high95.5Very high1 Ų133.3 Ų33.31%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-113.3133.2-177.1-178.674.8000110.4V656 V658 L677 F682 F693 I695 L718V656-L663 HydrophobicContact CG1-CD1 3.48Å; V656-L663 VanDerWaalsContact CG1-CD1 3.48Å; V658-L663 HydrophobicContact CG2-CD1 3.74Å; L663-L677 PolarHBondContact N-O 3.16Å; L663-L677 PolarHBondContact O-N 3.17Å; L663-F682 HydrophobicContact CB-CE1 4.35Å; L663-F682 HydrophobicContact CB-CE2 3.93Å; L663-F682 HydrophobicContact CB-CZ 3.63Å; L663-F682 HydrophobicContact CD2-CE2 4.18Å; L663-F693 HydrophobicContact CD2-CE2 4.27Å; L663-I695 HydrophobicContact CD2-CD1 3.54Å; L663-I695 HydrophobicContact CD2-CG1 3.64Å; L663-L718 HydrophobicContact CB-CD2 4.15Å; L663-L718 HydrophobicContact CD1-CD1 4.44Å; L663-L718 HydrophobicContact CD1-CD2 4.27Å
664H97.7Very high95.5Very high2 Ų230.3 Ų30.31%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-130.6129.1-179-46-75.3000110.2P629 T630 V656 G657 N659 L673 I675 S676P629-H664 PolarHBondContact O-CE1 2.84Å; P629-H664 VanDerWaalsContact O-CE1 3.22Å; P629-H664 PolarHBondContact O-NE2 3.07Å; T630-H664 HydrophobicContact CG2-CB 3.77Å; V656-H664 CarbonylContact C-O 3.51Å; G657-H664 PolarHBondContact N-O 3.01Å; G657-H664 PolarHBondContact O-N 3.46Å; N659-H664 PolarHBondContact ND2-NE2 3.18Å; N659-H664 PolarHBondContact OD1-NE2 3.08Å; N659-H664 VanDerWaalsContact OD1-NE2 3.07Å; H664-L673 HydrophobicContact CB-CD1 4.1Å; H664-I675 CarbonylContact C-O 3.55Å; H664-I675 WeakPolarHBondContact CA-O 3.44Å; H664-S676 PolarHBondContact CE1-OG 3.12Å; H664-S676 VanDerWaalsContact CE1-OG 3.28Å; H664-S676 PolarHBondContact ND1-OG 3.08Å
665L96.8Very high95.3Very high4 Ų432.5 Ų32.52%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-104.8128.8170.8-65.5-170.6000110V640 V654 Y655 V656 L674 I675 F704 V706V640-L665 HydrophobicContact CG2-CD1 4.23Å; V654-L665 HydrophobicContact CG2-CD2 4.31Å; Y655-L665 WeakPolarHBondContact O-CA 3.31Å; V656-L665 HydrophobicContact CB-CD2 4.15Å; V656-L665 HydrophobicContact CG1-CD2 4.01Å; V656-L665 HydrophobicContact CG2-CD2 3.77Å; L665-L674 HydrophobicContact CB-CB 4.36Å; L665-L674 WeakPolarHBondContact O-CB 3.14Å; L665-L674 PolarHBondContact O-N 3.07Å; L665-I675 HydrophobicContact CB-CB 4.23Å; L665-I675 HydrophobicContact CD1-CD1 4.45Å; L665-I675 PolarHBondContact N-O 3.33Å; L665-I675 PolarHBondContact O-N 2.88Å; L665-F704 HydrophobicContact CD1-CD2 4.02Å; L665-F704 HydrophobicContact CD1-CE2 3.44Å; L665-F704 VanDerWaalsContact CD1-CE2 3.44Å; L665-F704 HydrophobicContact CD1-CZ 3.9Å; L665-F704 HydrophobicContact CG-CE2 4.32Å; L665-V706 HydrophobicContact CD1-CG2 4.17Å; L665-V706 HydrophobicContact CD2-CG2 4.27Å
666M96.2Very high95.2Very high1 Ų133.7 Ų33.71%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-127.9136.6179.2-175.7175.761.900109.5Y539 F635 V654 Y655 M668 K671 V672Y539-M666 HydrophobicContact CD1-CE 3.6Å; Y539-M666 HydrophobicContact CE1-CE 4.11Å; F635-M666 HydrophobicContact CE1-CE 4.08Å; V654-M666 CarbonylContact C-O 3.38Å; V654-M666 WeakPolarHBondContact CA-O 3.42Å; Y655-M666 HydrophobicContact CD2-CE 3.77Å; Y655-M666 HydrophobicContact CG-CE 4.23Å; Y655-M666 PolarHBondContact N-O 3.48Å; Y655-M666 PolarHBondContact O-N 3.06Å; M666-M668 PolarHBondContact O-N 3.29Å; M666-K671 HydrophobicContact CE-CB 4.48Å; M666-K671 HydrophobicContact CE-CD 3.64Å; M666-K671 VanDerWaalsContact CG-C 3.41Å; M666-K671 HydrophobicContact CG-CB 4.46Å; M666-K671 WeakPolarHBondContact CG-O 3.33Å; M666-K671 HydrophobicContact SD-CB 3.93Å; M666-K671 HydrophobicContact SD-CD 4.22Å; M666-V672 CarbonylContact C-O 3.56Å; M666-V672 WeakPolarHBondContact CA-O 3.49Å; M666-V672 WeakPolarHBondContact CG-O 3.47Å
667N94.8Very high95.1Very high28 Ų2834.5 Ų34.515%0.1518%0.184CC..EExtended strand (participates in β ladder)trans-61.7130.7175.2-177.4-67000109.9E669 T670 K671 V672 L674N667-E669 VanDerWaalsContact C-N 3.35Å; N667-E669 PolarHBondContact O-N 3.34Å; N667-E669 PolarHBondContact OD1-N 2.89Å; N667-T670 WeakPolarHBondContact CB-OG1 3.44Å; N667-T670 PolarHBondContact OD1-N 3.43Å; N667-T670 PolarHBondContact OD1-OG1 2.89Å; N667-K671 WeakPolarHBondContact O-CA 3.43Å; N667-K671 PolarHBondContact O-N 3.06Å; N667-V672 PolarHBondContact N-O 2.85Å; N667-L674 HydrophobicContact CB-CD1 4.3Å; N667-L674 HydrophobicContact CB-CD2 4.27Å; N667-L674 HydrophobicContact CB-CG 4.35Å
668M93.4Very high94.9Very high39 Ų3940.7 Ų40.719%0.19221%0.212CC..THydrogen-bonded Turntrans-67.5-34.2-174-174.3172.9-74.600113T637 R653 V654 Y655 M666 K671T637-M668 HydrophobicContact CG2-CE 3.68Å; R653-M668 HydrophobicContact CB-CB 3.89Å; R653-M668 HydrophobicContact CB-SD 4.1Å; R653-M668 WeakPolarHBondContact O-CB 3.11Å; R653-M668 PolarHBondContact O-N 3.48Å; V654-M668 WeakPolarHBondContact O-CE 2.98Å; Y655-M668 HydrophobicContact CD1-CE 4.25Å; Y655-M668 HydrophobicContact CD2-CB 4.18Å; Y655-M668 HydrophobicContact CD2-CG 4.12Å; Y655-M668 HydrophobicContact CE1-CE 4.12Å; Y655-M668 HydrophobicContact CE2-CB 4.08Å; Y655-M668 HydrophobicContact CE2-CG 3.57Å; M666-M668 PolarHBondContact O-N 3.29Å; M668-K671 PolarHBondContact O-NZ 3.45Å
669E90.6Very high94.6Very high144 Ų14442.2 Ų42.267%0.67322%0.218SC*.THydrogen-bonded Turntrans-82.5-54.1-178.1-66.3169.6-168.800111.2N667N667-E669 VanDerWaalsContact C-N 3.35Å; N667-E669 PolarHBondContact O-N 3.34Å; N667-E669 PolarHBondContact OD1-N 2.89Å
670T91.4Very high94.2Very high75 Ų7545.7 Ų45.746%0.4625%0.254SS..THydrogen-bonded Turntrans-87.8-12.8-17266.40000113.7N667 V672N667-T670 WeakPolarHBondContact CB-OG1 3.44Å; N667-T670 PolarHBondContact OD1-N 3.43Å; N667-T670 PolarHBondContact OD1-OG1 2.89Å; T670-V672 PolarHBondContact O-N 2.95Å; T670-V672 VanDerWaalsContact O-N 3.15Å; T670-V672 WeakPolarHBondContact OG1-CG2 3.44Å; T670-V672 PolarHBondContact OG1-N 3.23Å
671K91.9Very high94Very high39 Ų3946.5 Ų46.517%0.1726%0.259CS..  trans55.523.6-173-54.7-69.6-167.6-71.90113.6G538 L584 Y655 M666 N667 M668G538-K671 WeakPolarHBondContact O-CB 3.27Å; L584-K671 HydrophobicContact CD1-CB 3.62Å; L584-K671 HydrophobicContact CD1-CG 3.31Å; Y655-K671 HydrophobicContact CD2-CD 4.13Å; Y655-K671 HydrophobicContact CE2-CD 3.89Å; Y655-K671 VanDerWaalsContact CE2-CE 3.45Å; M666-K671 HydrophobicContact CE-CB 4.48Å; M666-K671 HydrophobicContact CE-CD 3.64Å; M666-K671 VanDerWaalsContact CG-C 3.41Å; M666-K671 HydrophobicContact CG-CB 4.46Å; M666-K671 WeakPolarHBondContact CG-O 3.33Å; M666-K671 HydrophobicContact SD-CB 3.93Å; M666-K671 HydrophobicContact SD-CD 4.22Å; N667-K671 WeakPolarHBondContact O-CA 3.43Å; N667-K671 PolarHBondContact O-N 3.06Å; M668-K671 PolarHBondContact O-NZ 3.45Å
672V92.3Very high93.8Very high77 Ų7744.7 Ų44.747%0.46725%0.251SS..  trans-78.6131174.3173.40000109.4M666 N667 T670 L674M666-V672 CarbonylContact C-O 3.56Å; M666-V672 WeakPolarHBondContact CA-O 3.49Å; M666-V672 WeakPolarHBondContact CG-O 3.47Å; N667-V672 PolarHBondContact N-O 2.85Å; T670-V672 PolarHBondContact O-N 2.95Å; T670-V672 VanDerWaalsContact O-N 3.15Å; T670-V672 WeakPolarHBondContact OG1-CG2 3.44Å; T670-V672 PolarHBondContact OG1-N 3.23Å; V672-L674 PolarHBondContact O-N 3.46Å
673L95.5Very high93.6Very high51 Ų5149.6 Ų49.627%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-67.2118.8172.8-174.567000109.4P541 P629 T630 H664 I675P541-L673 HydrophobicContact CB-CB 3.74Å; P541-L673 HydrophobicContact CB-CD2 4.44Å; P541-L673 HydrophobicContact CG-CB 3.85Å; P541-L673 HydrophobicContact CG-CD1 4.25Å; P541-L673 HydrophobicContact CG-CD2 3.98Å; P541-L673 HydrophobicContact CG-CG 4.27Å; P629-L673 HydrophobicContact CB-CD2 4.34Å; P629-L673 HydrophobicContact CG-CD2 4.16Å; T630-L673 HydrophobicContact CG2-CD1 4.4Å; H664-L673 HydrophobicContact CB-CD1 4.1Å; L673-I675 WeakPolarHBondContact CD1-O 3.46Å
674L93.6Very high93.4Very high81 Ų8152.6 Ų52.642%0.42429%0.287SS..EExtended strand (participates in β ladder)trans-90.2-47.1179.6-58.2177.5000110.8I652 V654 L665 N667 V672I652-L674 HydrophobicContact CG2-CD1 4.25Å; V654-L674 HydrophobicContact CG1-CD1 3.75Å; L665-L674 HydrophobicContact CB-CB 4.36Å; L665-L674 WeakPolarHBondContact O-CB 3.14Å; L665-L674 PolarHBondContact O-N 3.07Å; N667-L674 HydrophobicContact CB-CD1 4.3Å; N667-L674 HydrophobicContact CB-CD2 4.27Å; N667-L674 HydrophobicContact CB-CG 4.35Å; V672-L674 PolarHBondContact O-N 3.46Å
675I93Very high93Very high46 Ų4658.1 Ų58.124%0.23631%0.313CS..EExtended strand (participates in β ladder)trans-144.2141-175.2-64.3-179000108.3H664 L665 L673 L677 F704H664-I675 CarbonylContact C-O 3.55Å; H664-I675 WeakPolarHBondContact CA-O 3.44Å; L665-I675 HydrophobicContact CB-CB 4.23Å; L665-I675 HydrophobicContact CD1-CD1 4.45Å; L665-I675 PolarHBondContact N-O 3.33Å; L665-I675 PolarHBondContact O-N 2.88Å; L673-I675 WeakPolarHBondContact CD1-O 3.46Å; I675-L677 HydrophobicContact CG2-CD1 3.95Å; I675-L677 HydrophobicContact CG2-CD2 3.99Å; I675-L677 HydrophobicContact CG2-CG 3.61Å; I675-F704 HydrophobicContact CD1-CD1 3.91Å; I675-F704 HydrophobicContact CD1-CE1 3.61Å; I675-F704 HydrophobicContact CD1-CZ 4.1Å; I675-F704 HydrophobicContact CG2-CE1 4.38Å; I675-F704 HydrophobicContact CG2-CZ 4.46Å
676S95.6Very high92.7Very high49 Ų4959.2 Ų59.234%0.34332%0.319SS..EExtended strand (participates in β ladder)trans-136.6119.8169.8-177.80000107.9H664H664-S676 PolarHBondContact CE1-OG 3.12Å; H664-S676 VanDerWaalsContact CE1-OG 3.28Å; H664-S676 PolarHBondContact ND1-OG 3.08Å
677L94.6Very high91.9Very high17 Ų1759.8 Ų59.89%0.08933%0.325CS..EExtended strand (participates in β ladder)trans-123.1124.3-177.3-58.8171.4000108.8G662 L663 I675 F682 I695 F704G662-L677 CarbonylContact C-O 3.51Å; G662-L677 VanDerWaalsContact CA-O 3.32Å; G662-L677 WeakPolarHBondContact CA-O 3.35Å; L663-L677 PolarHBondContact N-O 3.16Å; L663-L677 PolarHBondContact O-N 3.17Å; I675-L677 HydrophobicContact CG2-CD1 3.95Å; I675-L677 HydrophobicContact CG2-CD2 3.99Å; I675-L677 HydrophobicContact CG2-CG 3.61Å; L677-F682 HydrophobicContact CB-CB 4.37Å; L677-F682 HydrophobicContact CB-CD1 3.46Å; L677-F682 VanDerWaalsContact CB-CD1 3.46Å; L677-F682 HydrophobicContact CB-CE1 3.82Å; L677-F682 HydrophobicContact CB-CG 3.94Å; L677-F682 HydrophobicContact CD1-CB 3.98Å; L677-F682 HydrophobicContact CD1-CD1 4.4Å; L677-F682 HydrophobicContact CD1-CD2 4.39Å; L677-F682 HydrophobicContact CD1-CG 4.01Å; L677-F682 WeakPolarHBondContact O-CE1 3.37Å; L677-I695 HydrophobicContact CD1-CG2 3.58Å; L677-F704 HydrophobicContact CD1-CE1 4.18Å; L677-F704 HydrophobicContact CD1-CZ 4.2Å
678E93.9Very high91.3Very high129 Ų12966.1 Ų66.160%0.60335%0.353SS*.EExtended strand (participates in β ladder)trans-84.8148.9178.2-64-178.3177.100110.5K661 G680 T681 F682K661-E678 WeakPolarHBondContact O-CA 3.2Å; E678-G680 PolarHBondContact O-N 3.38Å; E678-T681 HydrophobicContact CB-CG2 4.46Å; E678-T681 PolarHBondContact N-OG1 3.1Å; E678-T681 PolarHBondContact O-N 3.06Å; E678-T681 VanDerWaalsContact O-N 3.12Å; E678-T681 PolarHBondContact O-OG1 3.12Å; E678-F682 VanDerWaalsContact O-CD1 3.24Å; E678-F682 WeakPolarHBondContact O-CD1 3.47Å; E678-F682 WeakPolarHBondContact O-CE1 3.39Å
679Y93.3Very high90.5Very high32 Ų3268.2 Ų68.213%0.12538%0.377CS..THydrogen-bonded Turntrans-54.5138.9176.1-70.7-57.8000111.5N659 K661 F682 W684 L718 L721N659-Y679 VanDerWaalsContact O-CE2 3.28Å; N659-Y679 WeakPolarHBondContact O-CE2 3.48Å; N659-Y679 PolarHBondContact O-OH 3.31Å; N659-Y679 VanDerWaalsContact O-OH 3.08Å; K661-Y679 VanDerWaalsContact O-CD2 3.32Å; K661-Y679 WeakPolarHBondContact O-CD2 3.42Å; K661-Y679 PolarHBondContact O-N 3.25Å; Y679-F682 HydrophobicContact CD1-CE1 4.19Å; Y679-F682 HydrophobicContact CD1-CZ 4.14Å; Y679-F682 HydrophobicContact CE1-CZ 4.18Å; Y679-W684 HydrophobicContact CD1-CZ3 4.41Å; Y679-L718 HydrophobicContact CE1-CD2 3.92Å; Y679-L721 HydrophobicContact CE2-CB 3.97Å; Y679-L721 VanDerWaalsContact OH-CB 3.29Å; Y679-L721 WeakPolarHBondContact OH-CB 3.17Å
680G89.5Confident90.1Very high73 Ų7365.2 Ų65.275%0.75337%0.365SS*.THydrogen-bonded Turntrans93.7-20.9-174.300000114.6E678E678-G680 PolarHBondContact O-N 3.38Å
681T91.2Very high89.9Confident40 Ų4066.2 Ų66.225%0.24537%0.365CS..SBendtrans-94.9-7.2-179.369.10000114E678 G698E678-T681 HydrophobicContact CB-CG2 4.46Å; E678-T681 PolarHBondContact N-OG1 3.1Å; E678-T681 PolarHBondContact O-N 3.06Å; E678-T681 VanDerWaalsContact O-N 3.12Å; E678-T681 PolarHBondContact O-OG1 3.12Å; T681-G698 PolarHBondContact O-N 3.49Å
682F92.3Very high89.9Confident10 Ų1067.2 Ų67.24%0.04437%0.368CS..EExtended strand (participates in β ladder)trans-147.6155.3-176.773-77.9000112.8L663 L677 E678 Y679 W684 I695 H696 L718L663-F682 HydrophobicContact CB-CE1 4.35Å; L663-F682 HydrophobicContact CB-CE2 3.93Å; L663-F682 HydrophobicContact CB-CZ 3.63Å; L663-F682 HydrophobicContact CD2-CE2 4.18Å; L677-F682 HydrophobicContact CB-CB 4.37Å; L677-F682 HydrophobicContact CB-CD1 3.46Å; L677-F682 VanDerWaalsContact CB-CD1 3.46Å; L677-F682 HydrophobicContact CB-CE1 3.82Å; L677-F682 HydrophobicContact CB-CG 3.94Å; L677-F682 HydrophobicContact CD1-CB 3.98Å; L677-F682 HydrophobicContact CD1-CD1 4.4Å; L677-F682 HydrophobicContact CD1-CD2 4.39Å; L677-F682 HydrophobicContact CD1-CG 4.01Å; L677-F682 WeakPolarHBondContact O-CE1 3.37Å; E678-F682 VanDerWaalsContact O-CD1 3.24Å; E678-F682 WeakPolarHBondContact O-CD1 3.47Å; E678-F682 WeakPolarHBondContact O-CE1 3.39Å; Y679-F682 HydrophobicContact CD1-CE1 4.19Å; Y679-F682 HydrophobicContact CD1-CZ 4.14Å; Y679-F682 HydrophobicContact CE1-CZ 4.18Å; F682-W684 AromaticContact CD2-CE3 3.89Å; F682-W684 HydrophobicContact CD2-CE3 3.89Å; F682-W684 HydrophobicContact CD2-CZ3 4.43Å; F682-W684 AromaticContact CE2-CE3 3.48Å; F682-W684 HydrophobicContact CE2-CE3 3.48Å; F682-W684 VanDerWaalsContact CE2-CE3 3.48Å; F682-W684 AromaticContact CE2-CZ3 3.92Å; F682-W684 HydrophobicContact CE2-CZ3 3.92Å; F682-W684 HydrophobicContact CZ-CE3 4.17Å; F682-W684 HydrophobicContact CZ-CZ3 4.16Å; F682-I695 HydrophobicContact CB-CG2 4.2Å; F682-I695 HydrophobicContact CD2-CD1 4.03Å; F682-I695 HydrophobicContact CD2-CG2 3.99Å; F682-I695 HydrophobicContact CE2-CD1 4.16Å; F682-I695 HydrophobicContact CG-CG2 4.45Å; F682-H696 CarbonylContact C-O 3.56Å; F682-H696 VanDerWaalsContact CA-O 3.25Å; F682-H696 WeakPolarHBondContact CA-O 3.46Å; F682-L718 HydrophobicContact CE2-CD2 4.27Å; F682-L718 HydrophobicContact CZ-CD2 4.07Å
683M90.6Very high89.9Confident104 Ų10463.5 Ų63.551%0.51235%0.345SS..EExtended strand (participates in β ladder)trans-114.7153.7171-62.8-174.8-71.900110.2I695 H696 Y738M683-I695 WeakPolarHBondContact O-CA 3.26Å; M683-H696 HydrophobicContact CB-CB 4.46Å; M683-H696 PolarHBondContact N-O 2.92Å; M683-H696 PolarHBondContact O-N 2.97Å; M683-Y738 HydrophobicContact SD-CE1 4.48Å
684W92.9Very high89.8Confident64 Ų6463.5 Ų63.524%0.24234%0.344CS..EExtended strand (participates in β ladder)trans-127.2148.3176.457.785.7000111.3Y679 F682 Q694 I695 L718 M719 S722Y679-W684 HydrophobicContact CD1-CZ3 4.41Å; F682-W684 AromaticContact CD2-CE3 3.89Å; F682-W684 HydrophobicContact CD2-CE3 3.89Å; F682-W684 HydrophobicContact CD2-CZ3 4.43Å; F682-W684 AromaticContact CE2-CE3 3.48Å; F682-W684 HydrophobicContact CE2-CE3 3.48Å; F682-W684 VanDerWaalsContact CE2-CE3 3.48Å; F682-W684 AromaticContact CE2-CZ3 3.92Å; F682-W684 HydrophobicContact CE2-CZ3 3.92Å; F682-W684 HydrophobicContact CZ-CE3 4.17Å; F682-W684 HydrophobicContact CZ-CZ3 4.16Å; W684-Q694 CarbonylContact C-O 3.55Å; W684-Q694 VanDerWaalsContact CA-O 3.26Å; W684-Q694 WeakPolarHBondContact CA-O 3.38Å; W684-I695 HydrophobicContact CB-CD1 3.6Å; W684-L718 HydrophobicContact CB-CD1 4.26Å; W684-L718 HydrophobicContact CD2-CB 4.07Å; W684-L718 HydrophobicContact CD2-CD1 4.11Å; W684-L718 HydrophobicContact CE3-CB 4.44Å; W684-L718 HydrophobicContact CE3-CD1 4.44Å; W684-L718 HydrophobicContact CG-CD1 4.03Å; W684-L718 HydrophobicContact CH2-CB 4.43Å; W684-L718 HydrophobicContact CZ2-CB 4.07Å; W684-M719 HydrophobicContact CZ2-CG 4.02Å; W684-S722 WeakPolarHBondContact CH2-OG 3.46Å
685Q90.4Very high89.7Confident117 Ų11759.7 Ų59.755%0.54732%0.324SS..EExtended strand (participates in β ladder)trans-135.5129.3174.6-176.1175.9-7.600109.5F693 Q694Q685-F693 CarbonylContact O-C 3.46Å; Q685-F693 VanDerWaalsContact O-CA 3.3Å; Q685-F693 WeakPolarHBondContact O-CA 3.3Å; Q685-Q694 PolarHBondContact N-O 2.98Å; Q685-Q694 PolarHBondContact O-N 3.14Å
686L90.6Very high89.5Confident28 Ų2859.5 Ų59.515%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-74.5129.9173.5-170.662.6000109.4D690 A711 V715L686-D690 WeakPolarHBondContact CD2-OD1 3.42Å; L686-A711 HydrophobicContact CD1-CB 3.7Å; L686-V715 HydrophobicContact CB-CG1 4.43Å; L686-V715 HydrophobicContact CB-CG2 4.23Å; L686-V715 HydrophobicContact CD1-CB 4.39Å; L686-V715 HydrophobicContact CD1-CG2 3.91Å
687G79.5Confident88.9Confident13 Ų1357.6 Ų57.613%0.13431%0.309CS..PPolyproline II helixtrans-74.5174178.100000113.6Y692G687-Y692 VanDerWaalsContact CA-CE2 3.41Å; G687-Y692 WeakPolarHBondContact CA-O 3.34Å; G687-Y692 PolarHBondContact N-O 3.22Å
688H81.8Confident87.6Confident160 Ų16059.7 Ų59.774%0.74134%0.335SS*.G310 helixtrans-61.9142.2175.1-70.3-76000111.6D690H688-D690 PolarHBondContact O-N 3.34Å
689A76.7Confident86.2Confident83 Ų8359.3 Ų59.369%0.68634%0.337SS*.G310 helixtrans57.723.2177.500000116Q691A689-Q691 HydrophobicContact CB-CG 4.32Å; A689-Q691 WeakPolarHBondContact O-CG 3.18Å; A689-Q691 PolarHBondContact O-N 3Å; A689-Q691 PolarHBondContact O-NE2 2.83Å
690D82.3Confident84.8Confident81 Ų8163.6 Ų63.643%0.43336%0.362SS..G310 helixtrans56.622.9177.6-64.6-4.3000114.6L686 H688 A711L686-D690 WeakPolarHBondContact CD2-OD1 3.42Å; H688-D690 PolarHBondContact O-N 3.34Å; D690-A711 WeakPolarHBondContact O-CB 3.25Å
691Q87.3Confident83.7Confident97 Ų9769.1 Ų69.145%0.45337%0.365SS..SBendtrans-91.3-12.8-177.5-64.8-55.6-50.200114.4A689 T708A689-Q691 HydrophobicContact CB-CG 4.32Å; A689-Q691 WeakPolarHBondContact O-CG 3.18Å; A689-Q691 PolarHBondContact O-N 3Å; A689-Q691 PolarHBondContact O-NE2 2.83Å; Q691-T708 CarbonylContact C-O 3.54Å; Q691-T708 CarbonylContact O-C 3.47Å; Q691-T708 PolarHBondContact O-N 3.07Å
692Y91.3Very high82.9Confident59 Ų5972.7 Ų72.723%0.23138%0.38CS..EExtended strand (participates in β ladder)trans-157.7165.618068.1-87.1000110.8G687 I705 V706G687-Y692 VanDerWaalsContact CA-CE2 3.41Å; G687-Y692 WeakPolarHBondContact CA-O 3.34Å; G687-Y692 PolarHBondContact N-O 3.22Å; Y692-I705 HydrophobicContact CD2-CG2 3.49Å; Y692-I705 VanDerWaalsContact CD2-CG2 3.49Å; Y692-I705 HydrophobicContact CE2-CG2 4.29Å; Y692-I705 HydrophobicContact CG-CG2 3.99Å; Y692-V706 CarbonylContact C-O 3.54Å; Y692-V706 WeakPolarHBondContact CA-O 3.2Å; Y692-V706 VanDerWaalsContact CB-O 3.3Å; Y692-V706 WeakPolarHBondContact CB-O 3.17Å
693F92.2Very high82.6Confident0 Ų076.5 Ų76.50%040%0.401CS..EExtended strand (participates in β ladder)trans-135.7151166.167-83.8000109.9V656 L663 Q685 I695 V706 T708 A711 I714 V715V656-F693 HydrophobicContact CG1-CZ 3.93Å; L663-F693 HydrophobicContact CD2-CE2 4.27Å; Q685-F693 CarbonylContact O-C 3.46Å; Q685-F693 VanDerWaalsContact O-CA 3.3Å; Q685-F693 WeakPolarHBondContact O-CA 3.3Å; F693-I695 HydrophobicContact CD2-CD1 3.75Å; F693-I695 HydrophobicContact CD2-CG1 3.91Å; F693-I695 HydrophobicContact CE2-CD1 3.72Å; F693-I695 HydrophobicContact CE2-CG1 3.68Å; F693-V706 HydrophobicContact CD1-CB 4.14Å; F693-V706 HydrophobicContact CE1-CB 3.54Å; F693-V706 HydrophobicContact CE1-CG1 3.77Å; F693-V706 HydrophobicContact CE1-CG2 4.22Å; F693-V706 HydrophobicContact CE2-CB 4.11Å; F693-V706 HydrophobicContact CE2-CG2 3.97Å; F693-V706 HydrophobicContact CZ-CB 3.53Å; F693-V706 HydrophobicContact CZ-CG1 3.93Å; F693-V706 HydrophobicContact CZ-CG2 3.66Å; F693-V706 PolarHBondContact N-O 3.29Å; F693-V706 PolarHBondContact O-N 3.49Å; F693-T708 HydrophobicContact CD1-CG2 4.2Å; F693-T708 HydrophobicContact CE1-CG2 3.97Å; F693-A711 HydrophobicContact CB-CB 4.42Å; F693-A711 HydrophobicContact CD1-CB 4.01Å; F693-I714 HydrophobicContact CD1-CD1 4.34Å; F693-I714 HydrophobicContact CD1-CG2 4.35Å; F693-I714 HydrophobicContact CE1-CB 4.34Å; F693-I714 HydrophobicContact CE1-CD1 3.62Å; F693-I714 HydrophobicContact CE1-CG2 3.87Å; F693-I714 HydrophobicContact CE2-CG2 4.36Å; F693-I714 HydrophobicContact CZ-CD1 4.36Å; F693-I714 HydrophobicContact CZ-CG2 3.88Å; F693-V715 HydrophobicContact CB-CG2 3.86Å; F693-V715 HydrophobicContact CG-CG2 4.36Å
694Q92.6Very high82.6Confident51 Ų5172.7 Ų72.724%0.23838%0.382CS..EExtended strand (participates in β ladder)trans-108.4140.4179.1-173.2170.2-4.500109.8W684 Q685 H696 I705W684-Q694 CarbonylContact C-O 3.55Å; W684-Q694 VanDerWaalsContact CA-O 3.26Å; W684-Q694 WeakPolarHBondContact CA-O 3.38Å; Q685-Q694 PolarHBondContact N-O 2.98Å; Q685-Q694 PolarHBondContact O-N 3.14Å; Q694-H696 VanDerWaalsContact CD-CE1 3.46Å; Q694-H696 VanDerWaalsContact CD-NE2 3.34Å; Q694-H696 PolarHBondContact NE2-NE2 2.97Å; Q694-I705 HydrophobicContact CB-CG1 4.18Å; Q694-I705 HydrophobicContact CG-CG1 3.94Å
695I92.7Very high82.6Confident0 Ų072.5 Ų72.50%039%0.385CS..EExtended strand (participates in β ladder)trans-114.7134.2174.8-61-61.5000109L663 L677 F682 M683 W684 F693 N703 F704L663-I695 HydrophobicContact CD2-CD1 3.54Å; L663-I695 HydrophobicContact CD2-CG1 3.64Å; L677-I695 HydrophobicContact CD1-CG2 3.58Å; F682-I695 HydrophobicContact CB-CG2 4.2Å; F682-I695 HydrophobicContact CD2-CD1 4.03Å; F682-I695 HydrophobicContact CD2-CG2 3.99Å; F682-I695 HydrophobicContact CE2-CD1 4.16Å; F682-I695 HydrophobicContact CG-CG2 4.45Å; M683-I695 WeakPolarHBondContact O-CA 3.26Å; W684-I695 HydrophobicContact CB-CD1 3.6Å; F693-I695 HydrophobicContact CD2-CD1 3.75Å; F693-I695 HydrophobicContact CD2-CG1 3.91Å; F693-I695 HydrophobicContact CE2-CD1 3.72Å; F693-I695 HydrophobicContact CE2-CG1 3.68Å; I695-N703 WeakPolarHBondContact O-CA 3.27Å; I695-F704 HydrophobicContact CB-CD1 4.36Å; I695-F704 HydrophobicContact CB-CD2 4.28Å; I695-F704 HydrophobicContact CB-CE1 3.86Å; I695-F704 HydrophobicContact CB-CE2 3.74Å; I695-F704 HydrophobicContact CB-CZ 3.54Å; I695-F704 HydrophobicContact CG1-CD2 4.49Å; I695-F704 HydrophobicContact CG1-CE2 3.69Å; I695-F704 HydrophobicContact CG1-CZ 3.76Å; I695-F704 HydrophobicContact CG2-CE1 3.74Å; I695-F704 HydrophobicContact CG2-CE2 4.36Å; I695-F704 HydrophobicContact CG2-CZ 3.64Å; I695-F704 PolarHBondContact N-O 2.89Å; I695-F704 PolarHBondContact O-N 3.4Å
696H89.3Confident82.8Confident43 Ų4366.9 Ų66.920%0.19936%0.359CS..EExtended strand (participates in β ladder)trans-119.5110.7175-55.591000108.5F682 M683 Q694 N703F682-H696 CarbonylContact C-O 3.56Å; F682-H696 VanDerWaalsContact CA-O 3.25Å; F682-H696 WeakPolarHBondContact CA-O 3.46Å; M683-H696 HydrophobicContact CB-CB 4.46Å; M683-H696 PolarHBondContact N-O 2.92Å; M683-H696 PolarHBondContact O-N 2.97Å; Q694-H696 VanDerWaalsContact CD-CE1 3.46Å; Q694-H696 VanDerWaalsContact CD-NE2 3.34Å; Q694-H696 PolarHBondContact NE2-NE2 2.97Å; H696-N703 WeakPolarHBondContact CA-OD1 3.39Å; H696-N703 PolarHBondContact CD2-OD1 2.73Å; H696-N703 VanDerWaalsContact CD2-OD1 3.22Å
697S83.1Confident83Confident9 Ų968.9 Ų68.96%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-85.3125.4175.6173.90000110.2K701 M702S697-K701 PolarHBondContact O-N 2.89Å; S697-M702 PolarHBondContact N-O 2.85Å
698G65.8Low83.7Confident61 Ų6168.9 Ų68.963%0.62936%0.364SS*.THydrogen-bonded Turntrans-67.2-40.8-179.900000112.6T681T681-G698 PolarHBondContact O-N 3.49Å
699D64.9Low84.2Confident121 Ų12164.8 Ų64.865%0.64734%0.344SS*.THydrogen-bonded Turntrans-79.9-36.8-171.9-56.5-35.5000113
700N63.6Low85Confident121 Ų12161 Ų6165%0.64731%0.312SS*.THydrogen-bonded Turntrans-107.71.1-170.5-71.3-26.4000114.4M702N700-M702 HydrophobicContact CB-CB 4.29Å; N700-M702 HydrophobicContact CB-CG 4.26Å; N700-M702 PolarHBondContact O-N 2.93Å
701K67.4Low85.4Confident190 Ų19057.1 Ų57.183%0.82629%0.292SS*.  trans48.323.5-171.3-61.9-176.9179.2178.60113.7S697S697-K701 PolarHBondContact O-N 2.89Å
702M74.1Confident85.3Confident114 Ų11453.1 Ų53.156%0.56228%0.277SS*.  trans-83.5117179.5-93.2-95.7-135.500108.5S697 N700S697-M702 PolarHBondContact N-O 2.85Å; N700-M702 HydrophobicContact CB-CB 4.29Å; N700-M702 HydrophobicContact CB-CG 4.26Å; N700-M702 PolarHBondContact O-N 2.93Å
703N86.1Confident85.1Confident90 Ų9053.4 Ų53.448%0.48128%0.282SS..EExtended strand (participates in β ladder)trans-114.4120.5174.6-64.2-24.5000109I695 H696I695-N703 WeakPolarHBondContact O-CA 3.27Å; H696-N703 WeakPolarHBondContact CA-OD1 3.39Å; H696-N703 PolarHBondContact CD2-OD1 2.73Å; H696-N703 VanDerWaalsContact CD2-OD1 3.22Å
704F89.8Confident85Confident24 Ų2453.4 Ų53.411%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-135.6155.7176.464.5-93.8000111.2L665 I675 L677 I695 V706L665-F704 HydrophobicContact CD1-CD2 4.02Å; L665-F704 HydrophobicContact CD1-CE2 3.44Å; L665-F704 VanDerWaalsContact CD1-CE2 3.44Å; L665-F704 HydrophobicContact CD1-CZ 3.9Å; L665-F704 HydrophobicContact CG-CE2 4.32Å; I675-F704 HydrophobicContact CD1-CD1 3.91Å; I675-F704 HydrophobicContact CD1-CE1 3.61Å; I675-F704 HydrophobicContact CD1-CZ 4.1Å; I675-F704 HydrophobicContact CG2-CE1 4.38Å; I675-F704 HydrophobicContact CG2-CZ 4.46Å; L677-F704 HydrophobicContact CD1-CE1 4.18Å; L677-F704 HydrophobicContact CD1-CZ 4.2Å; I695-F704 HydrophobicContact CB-CD1 4.36Å; I695-F704 HydrophobicContact CB-CD2 4.28Å; I695-F704 HydrophobicContact CB-CE1 3.86Å; I695-F704 HydrophobicContact CB-CE2 3.74Å; I695-F704 HydrophobicContact CB-CZ 3.54Å; I695-F704 HydrophobicContact CG1-CD2 4.49Å; I695-F704 HydrophobicContact CG1-CE2 3.69Å; I695-F704 HydrophobicContact CG1-CZ 3.76Å; I695-F704 HydrophobicContact CG2-CE1 3.74Å; I695-F704 HydrophobicContact CG2-CE2 4.36Å; I695-F704 HydrophobicContact CG2-CZ 3.64Å; I695-F704 PolarHBondContact N-O 2.89Å; I695-F704 PolarHBondContact O-N 3.4Å; F704-V706 HydrophobicContact CD2-CG2 3.84Å; F704-V706 HydrophobicContact CE2-CG2 3.74Å
705I93Very high84.9Confident60 Ų6051.5 Ų51.531%0.30827%0.274SS..EExtended strand (participates in β ladder)trans-116.2133.9180-60.8173.2000108.1Y692 Q694 H707Y692-I705 HydrophobicContact CD2-CG2 3.49Å; Y692-I705 VanDerWaalsContact CD2-CG2 3.49Å; Y692-I705 HydrophobicContact CE2-CG2 4.29Å; Y692-I705 HydrophobicContact CG-CG2 3.99Å; Q694-I705 HydrophobicContact CB-CG1 4.18Å; Q694-I705 HydrophobicContact CG-CG1 3.94Å; I705-H707 WeakPolarHBondContact CG2-NE2 3.38Å
706V94.4Very high84.6Confident0 Ų057.9 Ų57.90%030%0.301CS..EExtended strand (participates in β ladder)trans-111.3117.4173.1-174.30000108.2V640 V654 V656 L665 Y692 F693 F704 T708V640-V706 HydrophobicContact CG2-CG2 4.01Å; V654-V706 HydrophobicContact CG2-CG1 4.32Å; V656-V706 HydrophobicContact CG2-CG1 3.79Å; L665-V706 HydrophobicContact CD1-CG2 4.17Å; L665-V706 HydrophobicContact CD2-CG2 4.27Å; Y692-V706 CarbonylContact C-O 3.54Å; Y692-V706 WeakPolarHBondContact CA-O 3.2Å; Y692-V706 VanDerWaalsContact CB-O 3.3Å; Y692-V706 WeakPolarHBondContact CB-O 3.17Å; F693-V706 HydrophobicContact CD1-CB 4.14Å; F693-V706 HydrophobicContact CE1-CB 3.54Å; F693-V706 HydrophobicContact CE1-CG1 3.77Å; F693-V706 HydrophobicContact CE1-CG2 4.22Å; F693-V706 HydrophobicContact CE2-CB 4.11Å; F693-V706 HydrophobicContact CE2-CG2 3.97Å; F693-V706 HydrophobicContact CZ-CB 3.53Å; F693-V706 HydrophobicContact CZ-CG1 3.93Å; F693-V706 HydrophobicContact CZ-CG2 3.66Å; F693-V706 PolarHBondContact N-O 3.29Å; F693-V706 PolarHBondContact O-N 3.49Å; F704-V706 HydrophobicContact CD2-CG2 3.84Å; F704-V706 HydrophobicContact CE2-CG2 3.74Å; V706-T708 HydrophobicContact CG1-CG2 4.41Å
707H94.8Very high84.5Confident69 Ų6956.9 Ų56.932%0.31930%0.297SS..EExtended strand (participates in β ladder)trans-88.8124.2176.8-66.2-101.4000109.8G638 Q639 Y641 I705G638-H707 CarbonylContact C-O 3.53Å; G638-H707 VanDerWaalsContact CA-O 3.27Å; G638-H707 WeakPolarHBondContact CA-O 3.42Å; Q639-H707 PolarHBondContact N-O 3.05Å; Q639-H707 PolarHBondContact O-N 3.26Å; Y641-H707 AromaticContact CD2-CD2 3.48Å; Y641-H707 VanDerWaalsContact CD2-CD2 3.48Å; Y641-H707 WeakPolarHBondContact CD2-CD2 3.46Å; Y641-H707 AromaticContact CD2-NE2 3.68Å; Y641-H707 HydrophobicContact CE2-CB 4.26Å; Y641-H707 AromaticContact CE2-CD2 3.33Å; Y641-H707 WeakPolarHBondContact CE2-CD2 3.45Å; Y641-H707 AromaticContact CE2-CG 3.73Å; Y641-H707 AromaticContact CE2-NE2 3.7Å; I705-H707 WeakPolarHBondContact CG2-NE2 3.38Å
708T94.6Very high84.8Confident13 Ų1356.4 Ų56.48%0.0829%0.294CS..  trans-169.2138.6179.6177.80000111.1T637 Q691 F693 V706 Q710 A711 I714T637-T708 VanDerWaalsContact O-CB 3.22Å; T637-T708 WeakPolarHBondContact O-CB 3.48Å; T637-T708 PolarHBondContact O-OG1 3.4Å; Q691-T708 CarbonylContact C-O 3.54Å; Q691-T708 CarbonylContact O-C 3.47Å; Q691-T708 PolarHBondContact O-N 3.07Å; F693-T708 HydrophobicContact CD1-CG2 4.2Å; F693-T708 HydrophobicContact CE1-CG2 3.97Å; V706-T708 HydrophobicContact CG1-CG2 4.41Å; T708-Q710 PolarHBondContact O-N 3.46Å; T708-Q710 WeakPolarHBondContact OG1-CB 3.3Å; T708-Q710 PolarHBondContact OG1-N 3.44Å; T708-A711 HydrophobicContact CG2-CB 4.11Å; T708-A711 WeakPolarHBondContact O-CB 3.11Å; T708-A711 PolarHBondContact O-N 2.99Å; T708-A711 VanDerWaalsContact O-N 3.17Å; T708-I714 HydrophobicContact CG2-CD1 3.69Å
709K92.5Very high85.8Confident75 Ų7559 Ų5933%0.32629%0.291SS..THydrogen-bonded Turntrans-64.8-11.8169.1-67.2-176.1178.4-179.10113T488 D489 L490 T491 A711T488-K709 PolarHBondContact O-NZ 3.16Å; D489-K709 WeakPolarHBondContact O-CD 3.37Å; L490-K709 WeakPolarHBondContact O-CB 3.42Å; T491-K709 WeakPolarHBondContact O-CD 3.25Å; T491-K709 PolarHBondContact O-NZ 3.13Å; K709-A711 VanDerWaalsContact C-N 3.34Å
710Q92.6Very high86.8Confident3 Ų358 Ų581%0.01428%0.281CS..THydrogen-bonded Turntrans-88.76.3175.4-69.2149.555.900113.1L490 F636 T637 T708 G712 L713 I714L490-Q710 HydrophobicContact CB-CG 4.15Å; L490-Q710 WeakPolarHBondContact O-CG 3.45Å; L490-Q710 PolarHBondContact O-NE2 3.36Å; F636-Q710 VanDerWaalsContact CA-OE1 3.3Å; F636-Q710 HydrophobicContact CB-CB 4.46Å; F636-Q710 HydrophobicContact CD1-CB 3.98Å; F636-Q710 HydrophobicContact CD1-CG 4.27Å; T637-Q710 VanDerWaalsContact N-OE1 3.16Å; T637-Q710 PolarHBondContact OG1-NE2 3.43Å; T708-Q710 PolarHBondContact O-N 3.46Å; T708-Q710 WeakPolarHBondContact OG1-CB 3.3Å; T708-Q710 PolarHBondContact OG1-N 3.44Å; Q710-G712 VanDerWaalsContact C-N 3.31Å; Q710-G712 PolarHBondContact O-N 3.24Å; Q710-L713 WeakPolarHBondContact O-CB 3.11Å; Q710-L713 PolarHBondContact O-N 3.01Å; Q710-I714 HydrophobicContact CB-CD1 4.19Å; Q710-I714 WeakPolarHBondContact O-CG1 3.4Å; Q710-I714 PolarHBondContact O-N 3.46Å
711A91.6Very high87.9Confident0 Ų052.4 Ų52.40%025%0.251CS..Hα-helixtrans-58-41.4-17100000112.8L686 D690 F693 T708 K709 L713 I714 V715L686-A711 HydrophobicContact CD1-CB 3.7Å; D690-A711 WeakPolarHBondContact O-CB 3.25Å; F693-A711 HydrophobicContact CB-CB 4.42Å; F693-A711 HydrophobicContact CD1-CB 4.01Å; T708-A711 HydrophobicContact CG2-CB 4.11Å; T708-A711 WeakPolarHBondContact O-CB 3.11Å; T708-A711 PolarHBondContact O-N 2.99Å; T708-A711 VanDerWaalsContact O-N 3.17Å; K709-A711 VanDerWaalsContact C-N 3.34Å; A711-L713 VanDerWaalsContact C-N 3.33Å; A711-L713 PolarHBondContact O-N 2.83Å; A711-I714 PolarHBondContact O-N 3.25Å; A711-V715 WeakPolarHBondContact O-CG2 3.37Å; A711-V715 PolarHBondContact O-N 3.06Å
712G86Confident88.8Confident13 Ų1344.8 Ų44.813%0.13422%0.222CC..Hα-helixtrans-61.1-37.817600000113.4Q710 K716Q710-G712 VanDerWaalsContact C-N 3.31Å; Q710-G712 PolarHBondContact O-N 3.24Å; G712-K716 WeakPolarHBondContact O-CB 3.34Å; G712-K716 WeakPolarHBondContact O-CG 3.39Å; G712-K716 PolarHBondContact O-N 3.38Å; G712-K716 VanDerWaalsContact O-N 3.12Å
713L86Confident88.7Confident65 Ų6541.1 Ų41.134%0.3421%0.213SC..Hα-helixtrans-69.6-44.1176.7-63.7179.6000111.5L468 L490 F636 Q710 A711 K716 L717L468-L713 HydrophobicContact CD2-CD1 4.02Å; L490-L713 HydrophobicContact CD1-CD1 3.85Å; L490-L713 HydrophobicContact CD2-CD1 3.88Å; F636-L713 HydrophobicContact CE1-CB 4Å; Q710-L713 WeakPolarHBondContact O-CB 3.11Å; Q710-L713 PolarHBondContact O-N 3.01Å; A711-L713 VanDerWaalsContact C-N 3.33Å; A711-L713 PolarHBondContact O-N 2.83Å; L713-K716 PolarHBondContact O-N 3.17Å; L713-L717 WeakPolarHBondContact O-CB 3.49Å; L713-L717 PolarHBondContact O-N 3.37Å
714I89.8Confident87.3Confident0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-60.3-51.2178.8-66.5164.3000110.2F636 V656 V658 F693 T708 Q710 A711 K716 L717 L718F636-I714 HydrophobicContact CB-CD1 3.71Å; F636-I714 HydrophobicContact CB-CG1 3.89Å; F636-I714 HydrophobicContact CD1-CD1 4.46Å; F636-I714 HydrophobicContact CD1-CG1 3.86Å; F636-I714 HydrophobicContact CD2-CD1 4.28Å; F636-I714 HydrophobicContact CD2-CG1 3.55Å; F636-I714 HydrophobicContact CE1-CG1 4.26Å; F636-I714 HydrophobicContact CE2-CG1 3.98Å; F636-I714 HydrophobicContact CG-CD1 3.91Å; F636-I714 HydrophobicContact CG-CG1 3.48Å; F636-I714 VanDerWaalsContact CG-CG1 3.48Å; F636-I714 HydrophobicContact CZ-CG1 4.31Å; V656-I714 HydrophobicContact CB-CD1 4.33Å; V656-I714 HydrophobicContact CG1-CD1 4.24Å; V656-I714 HydrophobicContact CG1-CG2 4.27Å; V656-I714 HydrophobicContact CG2-CD1 4.48Å; V658-I714 HydrophobicContact CG2-CG2 4.11Å; F693-I714 HydrophobicContact CD1-CD1 4.34Å; F693-I714 HydrophobicContact CD1-CG2 4.35Å; F693-I714 HydrophobicContact CE1-CB 4.34Å; F693-I714 HydrophobicContact CE1-CD1 3.62Å; F693-I714 HydrophobicContact CE1-CG2 3.87Å; F693-I714 HydrophobicContact CE2-CG2 4.36Å; F693-I714 HydrophobicContact CZ-CD1 4.36Å; F693-I714 HydrophobicContact CZ-CG2 3.88Å; T708-I714 HydrophobicContact CG2-CD1 3.69Å; Q710-I714 HydrophobicContact CB-CD1 4.19Å; Q710-I714 WeakPolarHBondContact O-CG1 3.4Å; Q710-I714 PolarHBondContact O-N 3.46Å; A711-I714 PolarHBondContact O-N 3.25Å; I714-K716 PolarHBondContact O-N 3.16Å; I714-L717 PolarHBondContact O-N 2.84Å; I714-L718 HydrophobicContact CG2-CD1 4.03Å; I714-L718 HydrophobicContact CG2-CG 4.45Å; I714-L718 WeakPolarHBondContact O-CG 3.28Å; I714-L718 PolarHBondContact O-N 3.12Å
715V91.3Very high85.5Confident11 Ų1143.7 Ų43.77%0.06722%0.223CC..Hα-helixtrans-63.2-42.6-179.7169.30000111.5L686 F693 A711 L717 L718 M719L686-V715 HydrophobicContact CB-CG1 4.43Å; L686-V715 HydrophobicContact CB-CG2 4.23Å; L686-V715 HydrophobicContact CD1-CB 4.39Å; L686-V715 HydrophobicContact CD1-CG2 3.91Å; F693-V715 HydrophobicContact CB-CG2 3.86Å; F693-V715 HydrophobicContact CG-CG2 4.36Å; A711-V715 WeakPolarHBondContact O-CG2 3.37Å; A711-V715 PolarHBondContact O-N 3.06Å; V715-L717 VanDerWaalsContact C-N 3.29Å; V715-L717 PolarHBondContact O-N 3.29Å; V715-L718 PolarHBondContact O-N 3.14Å; V715-M719 HydrophobicContact CG1-CG 4.48Å; V715-M719 HydrophobicContact CG1-SD 4.19Å; V715-M719 VanDerWaalsContact O-CG 3.31Å; V715-M719 WeakPolarHBondContact O-CG 3.36Å; V715-M719 PolarHBondContact O-N 3.07Å
716K85.7Confident82.9Confident133 Ų13345.7 Ų45.758%0.57824%0.239SC*.Hα-helixtrans-60.3-39.4175.3-77.6173.9-178.5177.70111.8G712 L713 I714 K720G712-K716 WeakPolarHBondContact O-CB 3.34Å; G712-K716 WeakPolarHBondContact O-CG 3.39Å; G712-K716 PolarHBondContact O-N 3.38Å; G712-K716 VanDerWaalsContact O-N 3.12Å; L713-K716 PolarHBondContact O-N 3.17Å; I714-K716 PolarHBondContact O-N 3.16Å; K716-K720 WeakPolarHBondContact O-CB 3.41Å; K716-K720 PolarHBondContact O-N 2.95Å; K716-K720 VanDerWaalsContact O-N 3.11Å
717L88.5Confident80.1Confident22 Ų2254.1 Ų54.112%0.11528%0.278CS..Hα-helixtrans-70.1-44.1177.4-175.960.4000111.8V508 A634 F636 V658 L713 I714 V715 M719 K720 L721V508-L717 HydrophobicContact CG1-CD1 3.72Å; V508-L717 HydrophobicContact CG2-CD1 4.49Å; V508-L717 HydrophobicContact CG2-CD2 4.22Å; A634-L717 HydrophobicContact CB-CD2 3.88Å; F636-L717 HydrophobicContact CE2-CD2 3.93Å; F636-L717 HydrophobicContact CZ-CD2 4.03Å; V658-L717 HydrophobicContact CB-CD2 3.83Å; V658-L717 HydrophobicContact CB-CG 4.37Å; V658-L717 HydrophobicContact CG1-CB 4.41Å; V658-L717 HydrophobicContact CG1-CD2 3.8Å; V658-L717 HydrophobicContact CG1-CG 3.78Å; L713-L717 WeakPolarHBondContact O-CB 3.49Å; L713-L717 PolarHBondContact O-N 3.37Å; I714-L717 PolarHBondContact O-N 2.84Å; V715-L717 VanDerWaalsContact C-N 3.29Å; V715-L717 PolarHBondContact O-N 3.29Å; L717-M719 PolarHBondContact O-N 2.85Å; L717-K720 PolarHBondContact O-N 3.37Å; L717-K720 VanDerWaalsContact O-N 3.13Å; L717-L721 HydrophobicContact CD1-CD1 3.87Å; L717-L721 HydrophobicContact CD1-CD2 4.34Å; L717-L721 HydrophobicContact CD1-CG 3.88Å; L717-L721 HydrophobicContact CG-CD1 4Å; L717-L721 HydrophobicContact CG-CG 4.31Å; L717-L721 WeakPolarHBondContact O-CG 3.5Å; L717-L721 PolarHBondContact O-N 3.12Å
718L88.8Confident77.5Confident0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-54.9-49.9174.7-74.5170.6000111.4V658 L663 Y679 F682 W684 I714 V715 K720 L721 S722V658-L718 HydrophobicContact CG1-CD2 3.75Å; V658-L718 HydrophobicContact CG1-CG 4.18Å; V658-L718 HydrophobicContact CG2-CD2 4.21Å; V658-L718 HydrophobicContact CG2-CG 4.38Å; L663-L718 HydrophobicContact CB-CD2 4.15Å; L663-L718 HydrophobicContact CD1-CD1 4.44Å; L663-L718 HydrophobicContact CD1-CD2 4.27Å; Y679-L718 HydrophobicContact CE1-CD2 3.92Å; F682-L718 HydrophobicContact CE2-CD2 4.27Å; F682-L718 HydrophobicContact CZ-CD2 4.07Å; W684-L718 HydrophobicContact CB-CD1 4.26Å; W684-L718 HydrophobicContact CD2-CB 4.07Å; W684-L718 HydrophobicContact CD2-CD1 4.11Å; W684-L718 HydrophobicContact CE3-CB 4.44Å; W684-L718 HydrophobicContact CE3-CD1 4.44Å; W684-L718 HydrophobicContact CG-CD1 4.03Å; W684-L718 HydrophobicContact CH2-CB 4.43Å; W684-L718 HydrophobicContact CZ2-CB 4.07Å; I714-L718 HydrophobicContact CG2-CD1 4.03Å; I714-L718 HydrophobicContact CG2-CG 4.45Å; I714-L718 WeakPolarHBondContact O-CG 3.28Å; I714-L718 PolarHBondContact O-N 3.12Å; V715-L718 PolarHBondContact O-N 3.14Å; L718-K720 VanDerWaalsContact C-N 3.3Å; L718-K720 PolarHBondContact O-N 2.65Å; L718-L721 PolarHBondContact O-N 2.88Å; L718-S722 VanDerWaalsContact O-CB 3.32Å; L718-S722 WeakPolarHBondContact O-CB 3.05Å; L718-S722 PolarHBondContact O-N 2.99Å; L718-S722 PolarHBondContact O-OG 2.84Å
719M86.8Confident74.8Confident115 Ų11562.6 Ų62.657%0.56732%0.323SS*.Hα-helixtrans-58.6-41.7176.5-69.6177.37100112.4W684 V715 L717 S722 G723W684-M719 HydrophobicContact CZ2-CG 4.02Å; V715-M719 HydrophobicContact CG1-CG 4.48Å; V715-M719 HydrophobicContact CG1-SD 4.19Å; V715-M719 VanDerWaalsContact O-CG 3.31Å; V715-M719 WeakPolarHBondContact O-CG 3.36Å; V715-M719 PolarHBondContact O-N 3.07Å; L717-M719 PolarHBondContact O-N 2.85Å; M719-S722 PolarHBondContact O-OG 2.87Å; M719-G723 PolarHBondContact O-N 3.08Å
720K85.7Confident71.8Confident99 Ų9967.7 Ų67.743%0.4335%0.345SS..Hα-helixtrans-67.6-44.2-178.1-168.9167.8-172178.80111.5K716 L717 L718 H724K716-K720 WeakPolarHBondContact O-CB 3.41Å; K716-K720 PolarHBondContact O-N 2.95Å; K716-K720 VanDerWaalsContact O-N 3.11Å; L717-K720 PolarHBondContact O-N 3.37Å; L717-K720 VanDerWaalsContact O-N 3.13Å; L718-K720 VanDerWaalsContact C-N 3.3Å; L718-K720 PolarHBondContact O-N 2.65Å; K720-H724 PolarHBondContact O-CE1 3.03Å; K720-H724 VanDerWaalsContact O-CE1 3.22Å; K720-H724 PolarHBondContact O-ND1 3.23Å
721L86.1Confident69Low5 Ų570.2 Ų70.23%0.02637%0.372CS..Hα-helixtrans-78.5-34-176.7-61.5-175.1000112.3V508 R509 V658 N659 Y679 L717 L718 G723 H724V508-L721 HydrophobicContact CG2-CD1 4.28Å; R509-L721 HydrophobicContact CB-CD2 4.22Å; R509-L721 HydrophobicContact CG-CD2 4Å; V658-L721 HydrophobicContact CG1-CD1 4.12Å; N659-L721 VanDerWaalsContact C-CD1 3.41Å; N659-L721 VanDerWaalsContact O-CD1 3.27Å; N659-L721 WeakPolarHBondContact O-CD1 3.29Å; Y679-L721 HydrophobicContact CE2-CB 3.97Å; Y679-L721 VanDerWaalsContact OH-CB 3.29Å; Y679-L721 WeakPolarHBondContact OH-CB 3.17Å; L717-L721 HydrophobicContact CD1-CD1 3.87Å; L717-L721 HydrophobicContact CD1-CD2 4.34Å; L717-L721 HydrophobicContact CD1-CG 3.88Å; L717-L721 HydrophobicContact CG-CD1 4Å; L717-L721 HydrophobicContact CG-CG 4.31Å; L717-L721 WeakPolarHBondContact O-CG 3.5Å; L717-L721 PolarHBondContact O-N 3.12Å; L718-L721 PolarHBondContact O-N 2.88Å; L721-G723 VanDerWaalsContact C-N 3.29Å; L721-G723 PolarHBondContact O-N 3.02Å; L721-H724 PolarHBondContact O-N 3.21Å
722S87.4Confident66.1Low30 Ų3076.7 Ų76.721%0.2141%0.414CS..Hα-helixtrans-63.8-34.3174.469.80000112.7W684 L718 M719 H724 M725W684-S722 WeakPolarHBondContact CH2-OG 3.46Å; L718-S722 VanDerWaalsContact O-CB 3.32Å; L718-S722 WeakPolarHBondContact O-CB 3.05Å; L718-S722 PolarHBondContact O-N 2.99Å; L718-S722 PolarHBondContact O-OG 2.84Å; M719-S722 PolarHBondContact O-OG 2.87Å; S722-H724 PolarHBondContact O-N 3.29Å; S722-M725 PolarHBondContact O-N 3.19Å
723G70.7Confident63.6Low36 Ų3681.6 Ų81.637%0.37144%0.442SS..THydrogen-bonded Turntrans-66.6-17.1178.200000114.7M719 L721 M725 T726M719-G723 PolarHBondContact O-N 3.08Å; L721-G723 VanDerWaalsContact C-N 3.29Å; L721-G723 PolarHBondContact O-N 3.02Å; G723-M725 VanDerWaalsContact C-N 3.32Å; G723-T726 PolarHBondContact O-OG1 3.18Å; G723-T726 VanDerWaalsContact O-OG1 3.04Å
724H58.2Low60.8Low93 Ų9385.9 Ų85.943%0.43147%0.465SS..THydrogen-bonded Turntrans-79.2-17.2175.8-68.175.5000112.5K720 L721 S722K720-H724 PolarHBondContact O-CE1 3.03Å; K720-H724 VanDerWaalsContact O-CE1 3.22Å; K720-H724 PolarHBondContact O-ND1 3.23Å; L721-H724 PolarHBondContact O-N 3.21Å; S722-H724 PolarHBondContact O-N 3.29Å
725M50.4Low58.1Low76 Ų7694.7 Ų94.737%0.37450%0.503SS..G310 helixtrans-79.7-23.5178.9-68.7-78.2114.100113S722 G723 H727S722-M725 PolarHBondContact O-N 3.19Å; G723-M725 VanDerWaalsContact C-N 3.32Å; M725-H727 PolarHBondContact O-N 3.38Å
726T40.2Very low55.3Low102 Ų102105 Ų10563%0.62654%0.542SS*.G310 helixtrans-72.3-10-174.749.90000114.7G723G723-T726 PolarHBondContact O-OG1 3.18Å; G723-T726 VanDerWaalsContact O-OG1 3.04Å
727H35.3Very low52.6Low177 Ų177102.8 Ų102.882%0.81955%0.549SS*.G310 helixtrans-101.8-10.5-179-94.7-73.8000115.1M725M725-H727 PolarHBondContact O-N 3.38Å
728I39.6Very low49.6Very low132 Ų132111.8 Ų111.868%0.67758%0.583SS**THydrogen-bonded Turntrans-117.6-26.4-169.2-61.3-179.7000113.4
729D37.3Very low46.7Very low127 Ų127118.8 Ų118.868%0.67966%0.656SS**  trans-132.466.7-174.2-78.3-41.2000114.7
730K30.8Very low44.6Very low182 Ų182119 Ų11979%0.79166%0.66SS**  trans-133.395.3156.1-71.9-163.4176.9-167.70111.6
731G32.7Very low42.5Very low56 Ų56120.1 Ų120.158%0.57767%0.672SS**  trans-59.7162.3155.600000111.3T733G731-T733 PolarHBondContact O-N 2.95Å
732P30.9Very low40.1Very low136 Ų136126.4 Ų126.488%0.88371%0.708SS**SBendtrans-84.651.2-16336.7-36.6000112.5
733T33.8Very low37.3Very low117 Ų117132.1 Ų132.172%0.71874%0.737SS**  trans-152.588.8171.7490000108.5G731G731-T733 PolarHBondContact O-N 2.95Å
734D26.5Very low35.2Very low154 Ų154138.1 Ų138.182%0.82476%0.76SS**  trans167.871.9144.4-82.4-15.3000108.3
735K34Very low33.7Very low185 Ų185141.1 Ų141.180%0.80478%0.782SS**  trans-74.3112.2146.4-78.8177177.1174.70104.7
736Y32.8Very low32.5Very low227 Ų227145.8 Ų145.889%0.8981%0.812SS**  trans172.6146.7133-80-57.3000108.8
737A28.4Very low31.9Very low87 Ų87149.2 Ų149.272%0.71983%0.826SS**  trans76.799.218000000116
738Y26Very low31.6Very low211 Ų211146.8 Ų146.883%0.82783%0.826SS**  -158.1119.9121.6-91.5-71.7000107.9M683M683-Y738 HydrophobicContact SD-CE1 4.48Å
739G26.3Very low30.9Very low148 Ų148148.2 Ų148.2100%1.52684%0.84SS**  trans-107.30159.700000109.2

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