A0A096NFR4_PAPAN Loading...

Protein tyrosine phosphatase 4A1

AlphaFold DB (A0A0D9SGK2), UniProt , Accession A0A096NFR4, Species PAPAN (Papio anubis, Olive baboon), Gene PTP4A1, Length 148 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
1M39.2Very low61.3Low241 Ų241121.3 Ų121.3100%1.18764%0.643SS**  01170-72.4173.6179.500108.1R3M1-R3 PolarHBondContact O-N 2.96Å
2A35.4Very low63.3Low97 Ų97113.6 Ų113.680%0.80260%0.604SS**  trans-62.2125.1-175.600000110.6M4A2-M4 PolarHBondContact O-N 2.89Å
3R40.9Very low65.1Low235 Ų235111.6 Ų111.689%0.88760%0.599SS**  trans-62.9100.8167-69.91731011744.9106.3M1 N5M1-R3 PolarHBondContact O-N 2.96Å; R3-N5 PolarHBondContact O-N 3.14Å
4M48.9Very low66.3Low147 Ų147108.2 Ų108.272%0.72457%0.574SS**  trans-64.5104.6169.4-69.4-172.4-175.700106.8A2 R6A2-M4 PolarHBondContact O-N 2.89Å; M4-R6 HydrophobicContact CB-CG 4.29Å; M4-R6 PolarHBondContact O-N 3.14Å
5N50.3Low67.6Low159 Ų159110.3 Ų110.385%0.8558%0.577SS**  trans-65.979.1167.5-78.9-13.9000107.9R3R3-N5 PolarHBondContact O-N 3.14Å
6R60.3Low68.7Low107 Ų107109.4 Ų109.440%0.40457%0.573SS.*PPolyproline II helixtrans-72.9131.2169.7-69.5-178.8-175.6170.30.4107.3M4M4-R6 HydrophobicContact CB-CG 4.29Å; M4-R6 PolarHBondContact O-N 3.14Å
7P67.3Low69.8Low85 Ų85104.2 Ų104.255%0.55255%0.545SS*.PPolyproline II helixtrans-53.3147.4172.2-17.924.1000110.8H23P7-H23 VanDerWaalsContact CB-NE2 3.33Å; P7-H23 WeakPolarHBondContact CB-NE2 3.29Å; P7-H23 WeakPolarHBondContact CD-NE2 3.37Å; P7-H23 VanDerWaalsContact CG-NE2 3.32Å; P7-H23 WeakPolarHBondContact CG-NE2 3.41Å; P7-H23 PolarHBondContact O-CD2 3.41Å; P7-H23 PolarHBondContact O-NE2 3.46Å
8A74.6Confident71Confident78 Ų78102.3 Ų102.365%0.64553%0.529SS*.PPolyproline II helixtrans-61148171.700000109.9
9P84.7Confident72.1Confident26 Ų2696.9 Ų96.917%0.16950%0.502CS..PPolyproline II helixtrans-59.8148.3171.630-37.6000110.2L20 I21 E36 Y40P9-L20 HydrophobicContact CB-CD1 3.93Å; P9-L20 HydrophobicContact CB-CG 4.33Å; P9-I21 CarbonylContact C-O 3.58Å; P9-I21 WeakPolarHBondContact CA-O 3.39Å; P9-E36 VanDerWaalsContact CG-OE1 3.31Å; P9-E36 WeakPolarHBondContact CG-OE1 3.44Å; P9-Y40 HydrophobicContact CG-CE2 4.11Å
10V86.3Confident73Confident80 Ų8092.2 Ų92.249%0.48548%0.477SS..EExtended strand (participates in β ladder)trans-109.2114.8-178.8179.80000108.6V12 I21V10-V12 HydrophobicContact CG1-CG2 4.29Å; V10-I21 HydrophobicContact CB-CB 4.23Å; V10-I21 PolarHBondContact N-O 3.15Å; V10-I21 PolarHBondContact O-N 3.47Å
11E86.6Confident73.8Confident79 Ų7989 Ų8937%0.36946%0.46SS..EExtended strand (participates in β ladder)trans-85.7135171.5-170.1176.1-169.300110.3T13 R18 F19 L20E11-T13 HydrophobicContact CG-CG2 4.06Å; E11-R18 IonicContact OE1-CZ 3.05Å; E11-R18 VanDerWaalsContact OE1-CZ 3.31Å; E11-R18 IonicContact OE1-NE 2.55Å; E11-R18 PolarHBondContact OE1-NE 2.64Å; E11-R18 IonicContact OE1-NH2 2.73Å; E11-R18 PolarHBondContact OE1-NH2 3.29Å; E11-F19 CarbonylContact C-O 3.6Å; E11-F19 WeakPolarHBondContact CA-O 3.41Å; E11-L20 HydrophobicContact CB-CD1 4.26Å
12V85.4Confident76.1Confident29 Ų2978 Ų7818%0.17641%0.406CS..EExtended strand (participates in β ladder)trans-125.4121.8175.4-176.90000108.3V10 F19 I21 L121V10-V12 HydrophobicContact CG1-CG2 4.29Å; V12-F19 HydrophobicContact CB-CB 4.45Å; V12-F19 PolarHBondContact N-O 2.64Å; V12-F19 PolarHBondContact O-N 2.9Å; V12-I21 HydrophobicContact CG2-CD1 4.04Å; V12-L121 HydrophobicContact CG1-CD1 4.17Å
13T86.1Confident78.4Confident88 Ų8875.9 Ų75.954%0.5438%0.38SS..EExtended strand (participates in β ladder)trans-118.5139.6179.463.40000110.8E11 M17 R18E11-T13 HydrophobicContact CG-CG2 4.06Å; T13-M17 WeakPolarHBondContact CA-O 3.47Å; T13-R18 HydrophobicContact CG2-CB 4.37Å; T13-R18 HydrophobicContact CG2-CG 3.88Å
14Y82.5Confident80.5Confident64 Ų6465.9 Ų65.925%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-153.6117.2174.4-174.7-106000110.2N16 M17 L121 E125Y14-N16 PolarHBondContact O-N 3.31Å; Y14-M17 HydrophobicContact CD1-CE 3.62Å; Y14-M17 HydrophobicContact CE1-CE 4.41Å; Y14-M17 PolarHBondContact N-O 2.94Å; Y14-M17 WeakPolarHBondContact O-CB 3.23Å; Y14-M17 PolarHBondContact O-N 3.13Å; Y14-L121 HydrophobicContact CD1-CB 4.08Å; Y14-L121 HydrophobicContact CD1-CD2 4.44Å; Y14-L121 HydrophobicContact CD2-CB 4.47Å; Y14-L121 HydrophobicContact CD2-CD1 4.27Å; Y14-L121 HydrophobicContact CE1-CB 4.4Å; Y14-L121 HydrophobicContact CG-CB 4.11Å; Y14-L121 HydrophobicContact CG-CD1 4.05Å; Y14-L121 HydrophobicContact CG-CD2 4.32Å; Y14-L121 HydrophobicContact CG-CG 4.39Å; Y14-E125 PolarHBondContact OH-OE2 3.32Å
15K86.1Confident82.3Confident140 Ų14059 Ų5961%0.60931%0.31SS*.THydrogen-bonded Turntrans53.5-124.6-172.3-56.1-175.3-179.1-173.60110.7M17 E125K15-M17 VanDerWaalsContact C-N 3.31Å; K15-E125 IonicContact NZ-OE1 2.72Å; K15-E125 PolarHBondContact NZ-OE1 3.1Å; K15-E125 IonicContact NZ-OE2 3.31Å; K15-E125 PolarHBondContact NZ-OE2 3.22Å
16N84.1Confident84Confident96 Ų9654.3 Ų54.351%0.51329%0.288SS..THydrogen-bonded Turntrans-862.9176.867.6-46.3000113.7Y14 F92Y14-N16 PolarHBondContact O-N 3.31Å; N16-F92 PolarHBondContact ND2-O 2.82Å; N16-F92 VanDerWaalsContact ND2-O 3.13Å; N16-F92 WeakPolarHBondContact O-CD1 3.33Å
17M88Confident85.2Confident20 Ų2054.3 Ų54.310%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-99.4133.5-177-53.7-177.3-74.200110.7T13 Y14 K15 F19 V88 F92T13-M17 WeakPolarHBondContact CA-O 3.47Å; Y14-M17 HydrophobicContact CD1-CE 3.62Å; Y14-M17 HydrophobicContact CE1-CE 4.41Å; Y14-M17 PolarHBondContact N-O 2.94Å; Y14-M17 WeakPolarHBondContact O-CB 3.23Å; Y14-M17 PolarHBondContact O-N 3.13Å; K15-M17 VanDerWaalsContact C-N 3.31Å; M17-F19 HydrophobicContact CB-CE2 3.68Å; M17-F19 HydrophobicContact CB-CZ 4.02Å; M17-F19 HydrophobicContact SD-CE2 4.5Å; M17-F19 HydrophobicContact SD-CZ 4.35Å; M17-V88 HydrophobicContact CG-CG1 4.37Å; M17-V88 HydrophobicContact SD-CG1 3.41Å; M17-V88 WeakPolarHBondContact SD-CG1 3.4Å; M17-F92 HydrophobicContact CB-CD2 3.8Å; M17-F92 HydrophobicContact CB-CE1 4.49Å; M17-F92 HydrophobicContact CB-CE2 3.71Å; M17-F92 HydrophobicContact CB-CG 4.24Å; M17-F92 HydrophobicContact CB-CZ 4.09Å; M17-F92 HydrophobicContact CG-CB 4.42Å; M17-F92 HydrophobicContact CG-CD2 3.52Å; M17-F92 HydrophobicContact CG-CE2 3.92Å; M17-F92 HydrophobicContact CG-CG 4.01Å; M17-F92 HydrophobicContact SD-CD2 4.31Å
18R92.1Very high86.1Confident70 Ų7054.8 Ų54.826%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-131.1125.9176.9-61.617759-144.9-1.4109.8E11 T13 Y40 F92 G97 C99 I100E11-R18 IonicContact OE1-CZ 3.05Å; E11-R18 VanDerWaalsContact OE1-CZ 3.31Å; E11-R18 IonicContact OE1-NE 2.55Å; E11-R18 PolarHBondContact OE1-NE 2.64Å; E11-R18 IonicContact OE1-NH2 2.73Å; E11-R18 PolarHBondContact OE1-NH2 3.29Å; T13-R18 HydrophobicContact CG2-CB 4.37Å; T13-R18 HydrophobicContact CG2-CG 3.88Å; R18-Y40 PolarHBondContact NH2-O 2.99Å; R18-F92 VanDerWaalsContact N-CE1 3.26Å; R18-F92 WeakPolarHBondContact O-CE1 3.33Å; R18-F92 WeakPolarHBondContact O-CZ 3.32Å; R18-G97 PolarHBondContact NH1-O 2.84Å; R18-C99 HydrophobicContact CB-CB 4.32Å; R18-C99 WeakPolarHBondContact O-CA 3.36Å; R18-C99 PolarHBondContact O-SG 3.03Å; R18-I100 PolarHBondContact O-N 2.98Å
19F91.4Very high86.8Confident1 Ų153.1 Ų53.10%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-122.4142.2-178.8-57.6-78.3000110.6E11 V12 M17 W84 V88 F92 I100 L121E11-F19 CarbonylContact C-O 3.6Å; E11-F19 WeakPolarHBondContact CA-O 3.41Å; V12-F19 HydrophobicContact CB-CB 4.45Å; V12-F19 PolarHBondContact N-O 2.64Å; V12-F19 PolarHBondContact O-N 2.9Å; M17-F19 HydrophobicContact CB-CE2 3.68Å; M17-F19 HydrophobicContact CB-CZ 4.02Å; M17-F19 HydrophobicContact SD-CE2 4.5Å; M17-F19 HydrophobicContact SD-CZ 4.35Å; F19-W84 AromaticContact CD1-CH2 3.74Å; F19-W84 HydrophobicContact CD1-CH2 3.74Å; F19-W84 AromaticContact CD1-CZ2 3.85Å; F19-W84 HydrophobicContact CD1-CZ2 3.85Å; F19-W84 AromaticContact CE1-CH2 3.57Å; F19-W84 HydrophobicContact CE1-CH2 3.57Å; F19-W84 AromaticContact CE1-CZ2 3.34Å; F19-W84 HydrophobicContact CE1-CZ2 3.34Å; F19-W84 HydrophobicContact CZ-CZ2 4.05Å; F19-V88 HydrophobicContact CE1-CG2 3.85Å; F19-V88 HydrophobicContact CZ-CG1 4.16Å; F19-V88 HydrophobicContact CZ-CG2 3.98Å; F19-F92 HydrophobicContact CD1-CZ 4.28Å; F19-F92 AromaticContact CE1-CE2 3.65Å; F19-F92 HydrophobicContact CE1-CE2 3.65Å; F19-F92 AromaticContact CE1-CZ 3.85Å; F19-F92 HydrophobicContact CE1-CZ 3.85Å; F19-F92 HydrophobicContact CE2-CE2 4.39Å; F19-F92 AromaticContact CZ-CE2 3.59Å; F19-F92 HydrophobicContact CZ-CE2 3.59Å; F19-F92 HydrophobicContact CZ-CZ 4.04Å; F19-I100 CarbonylContact C-O 3.58Å; F19-I100 VanDerWaalsContact CA-O 3.23Å; F19-I100 WeakPolarHBondContact CA-O 3.48Å; F19-I100 HydrophobicContact CD1-CB 4.05Å; F19-I100 HydrophobicContact CE1-CB 4.31Å; F19-I100 HydrophobicContact CE1-CD1 4.44Å; F19-L121 HydrophobicContact CE2-CD2 4.18Å
20L90.7Very high87.1Confident1 Ų152.1 Ų52.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-117.7112174.8-170.470.8000110.3P9 E11 L37 Y40 V42 I100 A101 V102P9-L20 HydrophobicContact CB-CD1 3.93Å; P9-L20 HydrophobicContact CB-CG 4.33Å; E11-L20 HydrophobicContact CB-CD1 4.26Å; L20-L37 HydrophobicContact CD2-CD2 3.93Å; L20-Y40 HydrophobicContact CD1-CD1 3.91Å; L20-Y40 HydrophobicContact CD1-CD2 4.09Å; L20-Y40 HydrophobicContact CD1-CE1 4.08Å; L20-Y40 HydrophobicContact CD1-CE2 4.27Å; L20-Y40 HydrophobicContact CD1-CG 3.94Å; L20-Y40 HydrophobicContact CD2-CD2 3.68Å; L20-Y40 HydrophobicContact CD2-CE2 4.37Å; L20-Y40 HydrophobicContact CD2-CG 3.87Å; L20-V42 HydrophobicContact CB-CG2 4.28Å; L20-V42 HydrophobicContact CD2-CG2 3.89Å; L20-I100 PolarHBondContact N-O 3.23Å; L20-A101 HydrophobicContact CB-CB 4.16Å; L20-A101 CarbonylContact O-C 3.58Å; L20-A101 WeakPolarHBondContact O-CA 3.38Å; L20-V102 PolarHBondContact O-N 3.48Å
21I88.3Confident87.4Confident26 Ų2653.1 Ų53.113%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-88.3114.8173.1-66.9161.4000107.9P9 V10 V12 V102 L108 A115P9-I21 CarbonylContact C-O 3.58Å; P9-I21 WeakPolarHBondContact CA-O 3.39Å; V10-I21 HydrophobicContact CB-CB 4.23Å; V10-I21 PolarHBondContact N-O 3.15Å; V10-I21 PolarHBondContact O-N 3.47Å; V12-I21 HydrophobicContact CG2-CD1 4.04Å; I21-V102 WeakPolarHBondContact CA-O 3.23Å; I21-L108 HydrophobicContact CB-CD1 4.31Å; I21-L108 HydrophobicContact CG1-CD1 4.13Å; I21-L108 HydrophobicContact CG2-CB 4.45Å; I21-L108 HydrophobicContact CG2-CD1 3.51Å; I21-A115 HydrophobicContact CD1-CB 3.76Å; I21-A115 HydrophobicContact CG1-CB 4.34Å
22T87.5Confident87.6Confident9 Ų956.8 Ų56.86%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-128.2172.4-176.8-1680000111.9F33 V102 H103T22-F33 HydrophobicContact CG2-CE2 3.52Å; T22-F33 HydrophobicContact CG2-CZ 3.72Å; T22-V102 PolarHBondContact N-O 3.46Å; T22-V102 VanDerWaalsContact N-O 3.15Å; T22-H103 HydrophobicContact CG2-CB 3.83Å; T22-H103 WeakPolarHBondContact O-CB 3.18Å
23H84.4Confident87.9Confident54 Ų5456 Ų5625%0.2529%0.293CS..EExtended strand (participates in β ladder)trans-88.6152.5176-66.8-67.1000111P7 P25P7-H23 VanDerWaalsContact CB-NE2 3.33Å; P7-H23 WeakPolarHBondContact CB-NE2 3.29Å; P7-H23 WeakPolarHBondContact CD-NE2 3.37Å; P7-H23 VanDerWaalsContact CG-NE2 3.32Å; P7-H23 WeakPolarHBondContact CG-NE2 3.41Å; P7-H23 PolarHBondContact O-CD2 3.41Å; P7-H23 PolarHBondContact O-NE2 3.46Å; H23-P25 WeakPolarHBondContact O-CD 3.43Å
24N84.5Confident88.2Confident24 Ų2452.2 Ų52.213%0.12827%0.27CS..PPolyproline II helixtrans-62.2122.9172.3-177.966.5000110.5T52 H103N24-T52 PolarHBondContact ND2-OG1 2.8Å; N24-T52 PolarHBondContact OD1-OG1 3.5Å; N24-T52 VanDerWaalsContact OD1-OG1 3.04Å; N24-H103 PolarHBondContact OD1-CE1 3.36Å; N24-H103 VanDerWaalsContact OD1-CE1 3.26Å
25P88.1Confident88.8Confident2 Ų254.5 Ų54.51%0.01328%0.283CS..PPolyproline II helixtrans-72.3163.5177.432.4-36.4000110.9H23 L30 F33 Y53H23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-L30 HydrophobicContact CB-CD1 4.28Å; P25-L30 HydrophobicContact CG-CD1 3.99Å; P25-F33 HydrophobicContact CB-CB 4.04Å; P25-F33 HydrophobicContact CB-CD1 3.99Å; P25-F33 HydrophobicContact CB-CD2 4.17Å; P25-F33 HydrophobicContact CB-CE1 4.43Å; P25-F33 HydrophobicContact CB-CG 3.82Å; P25-F33 HydrophobicContact CG-CD1 3.77Å; P25-F33 HydrophobicContact CG-CD2 4.47Å; P25-F33 HydrophobicContact CG-CE1 3.81Å; P25-F33 HydrophobicContact CG-CG 4.1Å; P25-F33 HydrophobicContact CG-CZ 4.19Å; P25-Y53 HydrophobicContact CG-CD1 3.6Å; P25-Y53 HydrophobicContact CG-CE1 3.47Å; P25-Y53 VanDerWaalsContact CG-CE1 3.47Å; P25-Y53 HydrophobicContact CG-CE2 4.41Å; P25-Y53 HydrophobicContact CG-CG 4.13Å
26T85.3Confident89Confident61 Ų6151 Ų5137%0.37427%0.269SS..PPolyproline II helixtrans-103.6160.4161.764.40000109.1A28 T29 L30T26-A28 PolarHBondContact O-N 3.11Å; T26-A28 VanDerWaalsContact O-N 3.1Å; T26-T29 PolarHBondContact N-OG1 2.84Å; T26-T29 VanDerWaalsContact N-OG1 3.09Å; T26-T29 CarbonylContact O-C 3.53Å; T26-T29 PolarHBondContact O-N 3.17Å; T26-T29 PolarHBondContact O-OG1 2.81Å; T26-T29 PolarHBondContact OG1-OG1 2.82Å; T26-L30 PolarHBondContact O-N 3.26Å
27N85.1Confident89.5Confident108 Ų10846.5 Ų46.558%0.57825%0.245SC*.G310 helixtrans-52.5-35.3175.8-69-33000112.4T29 Y53N27-T29 VanDerWaalsContact C-N 3.34Å; N27-T29 PolarHBondContact O-N 3.02Å; N27-Y53 WeakPolarHBondContact OD1-CB 3.37Å
28A87.1Confident89.8Confident95 Ų9550.3 Ų50.379%0.78526%0.26SS*.G310 helixtrans-69.6-25.6176.900000114.2T26T26-A28 PolarHBondContact O-N 3.11Å; T26-A28 VanDerWaalsContact O-N 3.1Å
29T88.6Confident89.9Confident42 Ų4255 Ų5526%0.25828%0.283SS..G310 helixtrans-104.31.2-179.662.80000113.4T26 N27 N31 K32 F33T26-T29 PolarHBondContact N-OG1 2.84Å; T26-T29 VanDerWaalsContact N-OG1 3.09Å; T26-T29 CarbonylContact O-C 3.53Å; T26-T29 PolarHBondContact O-N 3.17Å; T26-T29 PolarHBondContact O-OG1 2.81Å; T26-T29 PolarHBondContact OG1-OG1 2.82Å; N27-T29 VanDerWaalsContact C-N 3.34Å; N27-T29 PolarHBondContact O-N 3.02Å; T29-N31 PolarHBondContact O-N 3.27Å; T29-K32 PolarHBondContact O-N 2.92Å; T29-F33 WeakPolarHBondContact O-CB 3.17Å; T29-F33 PolarHBondContact O-N 3.11Å
30L90.4Very high90Very high6 Ų658.2 Ų58.23%0.03130%0.295CS..Hα-helixtrans-61.7-39.9-170.3-170.461.3000112.9P25 T26 F33 I34 Y53 L57 V58P25-L30 HydrophobicContact CB-CD1 4.28Å; P25-L30 HydrophobicContact CG-CD1 3.99Å; T26-L30 PolarHBondContact O-N 3.26Å; L30-F33 HydrophobicContact CD1-CD1 4.19Å; L30-F33 WeakPolarHBondContact O-CB 3.3Å; L30-F33 PolarHBondContact O-N 3Å; L30-I34 HydrophobicContact CG-CD1 4.18Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 3.43Å; L30-Y53 HydrophobicContact CD1-CD2 3.7Å; L30-Y53 HydrophobicContact CD1-CE2 3.99Å; L30-Y53 HydrophobicContact CD1-CG 4.27Å; L30-Y53 HydrophobicContact CD2-CD2 4.28Å; L30-L57 HydrophobicContact CD2-CB 4.37Å; L30-L57 HydrophobicContact CD2-CD1 4.2Å; L30-V58 HydrophobicContact CD1-CG2 3.97Å
31N92.4Very high90.2Very high101 Ų10159.6 Ų59.654%0.5431%0.31SS..Hα-helixtrans-62-47.3177.2-68-51.3000112.3T29 F33 I34 E35T29-N31 PolarHBondContact O-N 3.27Å; N31-F33 VanDerWaalsContact C-N 3.27Å; N31-F33 PolarHBondContact O-N 3.05Å; N31-I34 PolarHBondContact O-N 2.72Å; N31-E35 PolarHBondContact O-N 3.05Å
32K91.3Very high90.5Very high156 Ų15658.7 Ų58.768%0.67831%0.306SS*.Hα-helixtrans-63.4-36.5176.7-67.9-177.3177.91800111.9T29 E35 E36T29-K32 PolarHBondContact O-N 2.92Å; K32-E35 PolarHBondContact O-N 3.48Å; K32-E36 PolarHBondContact O-N 3.45Å
33F91.6Very high91Very high12 Ų1259.8 Ų59.85%0.05331%0.313CS..Hα-helixtrans-63.4-45.9175.5178.4-107.4000111.3T22 P25 T29 L30 N31 E35 E36 L37 I45T22-F33 HydrophobicContact CG2-CE2 3.52Å; T22-F33 HydrophobicContact CG2-CZ 3.72Å; P25-F33 HydrophobicContact CB-CB 4.04Å; P25-F33 HydrophobicContact CB-CD1 3.99Å; P25-F33 HydrophobicContact CB-CD2 4.17Å; P25-F33 HydrophobicContact CB-CE1 4.43Å; P25-F33 HydrophobicContact CB-CG 3.82Å; P25-F33 HydrophobicContact CG-CD1 3.77Å; P25-F33 HydrophobicContact CG-CD2 4.47Å; P25-F33 HydrophobicContact CG-CE1 3.81Å; P25-F33 HydrophobicContact CG-CG 4.1Å; P25-F33 HydrophobicContact CG-CZ 4.19Å; T29-F33 WeakPolarHBondContact O-CB 3.17Å; T29-F33 PolarHBondContact O-N 3.11Å; L30-F33 HydrophobicContact CD1-CD1 4.19Å; L30-F33 WeakPolarHBondContact O-CB 3.3Å; L30-F33 PolarHBondContact O-N 3Å; N31-F33 VanDerWaalsContact C-N 3.27Å; N31-F33 PolarHBondContact O-N 3.05Å; F33-E35 PolarHBondContact O-N 3.22Å; F33-E36 WeakPolarHBondContact O-CB 3.22Å; F33-E36 PolarHBondContact O-N 3.26Å; F33-L37 HydrophobicContact CD1-CD1 3.83Å; F33-L37 HydrophobicContact CD1-CG 4.34Å; F33-L37 HydrophobicContact CE1-CD1 3.46Å; F33-L37 VanDerWaalsContact CE1-CD1 3.46Å; F33-L37 HydrophobicContact CE1-CG 4.13Å; F33-L37 HydrophobicContact CE2-CD2 4.37Å; F33-L37 HydrophobicContact CE2-CG 4.49Å; F33-L37 HydrophobicContact CZ-CD1 3.91Å; F33-L37 HydrophobicContact CZ-CD2 4.12Å; F33-L37 HydrophobicContact CZ-CG 4.21Å; F33-L37 VanDerWaalsContact O-CG 3.31Å; F33-L37 WeakPolarHBondContact O-CG 3.41Å; F33-L37 PolarHBondContact O-N 2.96Å; F33-I45 HydrophobicContact CE1-CD1 4.09Å
34I93.4Very high91.5Very high9 Ų957.2 Ų57.25%0.04630%0.301CS..Hα-helixtrans-60.1-44.4175.7-67.4163000111.2L30 N31 E36 L37 K38 L57 V58 E61 I63L30-I34 HydrophobicContact CG-CD1 4.18Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 3.43Å; N31-I34 PolarHBondContact O-N 2.72Å; I34-E36 VanDerWaalsContact C-N 3.28Å; I34-E36 PolarHBondContact O-N 3.24Å; I34-L37 PolarHBondContact O-N 3.2Å; I34-K38 HydrophobicContact CG2-CD 4.41Å; I34-K38 WeakPolarHBondContact O-CG 3.5Å; I34-K38 PolarHBondContact O-N 2.91Å; I34-L57 HydrophobicContact CD1-CB 4.13Å; I34-V58 HydrophobicContact CD1-CG2 4.01Å; I34-V58 HydrophobicContact CG1-CG2 4.02Å; I34-E61 HydrophobicContact CG2-CB 3.92Å; I34-E61 HydrophobicContact CG2-CG 3.96Å; I34-I63 HydrophobicContact CG2-CD1 4.42Å
35E93.6Very high92Very high112 Ų11256.1 Ų56.152%0.52330%0.295SS..Hα-helixtrans-58.3-41.5175.6-71.9174.6-166.400112.2N31 K32 F33 K38 K39N31-E35 PolarHBondContact O-N 3.05Å; K32-E35 PolarHBondContact O-N 3.48Å; F33-E35 PolarHBondContact O-N 3.22Å; E35-K38 PolarHBondContact O-N 3.12Å; E35-K39 WeakPolarHBondContact O-CG 3.35Å; E35-K39 PolarHBondContact O-N 3.18Å; E35-K39 VanDerWaalsContact O-N 3.13Å
36E92.1Very high92.2Very high67 Ų6756 Ų5631%0.31329%0.294SS..Hα-helixtrans-65.2-46.8176.9-172.8169.8-154.500111.4P9 K32 F33 I34 K38 K39 Y40P9-E36 VanDerWaalsContact CG-OE1 3.31Å; P9-E36 WeakPolarHBondContact CG-OE1 3.44Å; K32-E36 PolarHBondContact O-N 3.45Å; F33-E36 WeakPolarHBondContact O-CB 3.22Å; F33-E36 PolarHBondContact O-N 3.26Å; I34-E36 VanDerWaalsContact C-N 3.28Å; I34-E36 PolarHBondContact O-N 3.24Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.21Å; E36-K39 WeakPolarHBondContact O-CB 3.49Å; E36-K39 PolarHBondContact O-N 3.37Å; E36-Y40 HydrophobicContact CG-CD2 4.08Å; E36-Y40 HydrophobicContact CG-CE2 3.76Å; E36-Y40 VanDerWaalsContact O-CD2 3.22Å; E36-Y40 WeakPolarHBondContact O-CD2 3.1Å; E36-Y40 PolarHBondContact O-N 2.88Å
37L94.2Very high92.5Very high1 Ų153.7 Ų53.71%0.00528%0.279CS..Hα-helixtrans-56.7-42.6176.2-69.2-179.5000112.4L20 F33 I34 K39 Y40 G41 V42 I45 I63 A101L20-L37 HydrophobicContact CD2-CD2 3.93Å; F33-L37 HydrophobicContact CD1-CD1 3.83Å; F33-L37 HydrophobicContact CD1-CG 4.34Å; F33-L37 HydrophobicContact CE1-CD1 3.46Å; F33-L37 VanDerWaalsContact CE1-CD1 3.46Å; F33-L37 HydrophobicContact CE1-CG 4.13Å; F33-L37 HydrophobicContact CE2-CD2 4.37Å; F33-L37 HydrophobicContact CE2-CG 4.49Å; F33-L37 HydrophobicContact CZ-CD1 3.91Å; F33-L37 HydrophobicContact CZ-CD2 4.12Å; F33-L37 HydrophobicContact CZ-CG 4.21Å; F33-L37 VanDerWaalsContact O-CG 3.31Å; F33-L37 WeakPolarHBondContact O-CG 3.41Å; F33-L37 PolarHBondContact O-N 2.96Å; I34-L37 PolarHBondContact O-N 3.2Å; L37-K39 VanDerWaalsContact C-N 3.35Å; L37-K39 PolarHBondContact O-N 3.02Å; L37-Y40 PolarHBondContact O-N 3.45Å; L37-G41 PolarHBondContact O-N 3.12Å; L37-V42 HydrophobicContact CB-CB 4.06Å; L37-V42 HydrophobicContact CB-CG2 4.41Å; L37-V42 HydrophobicContact CD2-CB 4.22Å; L37-V42 HydrophobicContact CD2-CG1 4.23Å; L37-V42 HydrophobicContact CD2-CG2 3.98Å; L37-V42 WeakPolarHBondContact O-CB 3.31Å; L37-V42 PolarHBondContact O-N 3.3Å; L37-I45 HydrophobicContact CD1-CD1 3.28Å; L37-I45 HydrophobicContact CD1-CG1 3.92Å; L37-I63 HydrophobicContact CB-CD1 3.87Å; L37-I63 HydrophobicContact CD1-CD1 4.06Å; L37-A101 HydrophobicContact CD2-CB 3.9Å
38K94.6Very high92.6Very high99 Ų9949.3 Ų49.343%0.4326%0.256SS..Hα-helixtrans-63.1-38.6176-73.5-175.8175.8-168.80112.7I34 E35 E36 Y40 G41 E61 I63I34-K38 HydrophobicContact CG2-CD 4.41Å; I34-K38 WeakPolarHBondContact O-CG 3.5Å; I34-K38 PolarHBondContact O-N 2.91Å; E35-K38 PolarHBondContact O-N 3.12Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.21Å; K38-Y40 VanDerWaalsContact C-N 3.27Å; K38-Y40 PolarHBondContact O-N 2.82Å; K38-G41 PolarHBondContact O-N 3.05Å; K38-E61 IonicContact NZ-OE2 2.62Å; K38-E61 PolarHBondContact NZ-OE2 2.86Å; K38-I63 HydrophobicContact CG-CD1 4.37Å
39K93.8Very high92.4Very high169 Ų16946.1 Ų46.174%0.73523%0.227SC*.Hα-helixtrans-61.1-36.1175.8-72169.9-174.2173.90112.4E35 E36 L37 G41E35-K39 WeakPolarHBondContact O-CG 3.35Å; E35-K39 PolarHBondContact O-N 3.18Å; E35-K39 VanDerWaalsContact O-N 3.13Å; E36-K39 WeakPolarHBondContact O-CB 3.49Å; E36-K39 PolarHBondContact O-N 3.37Å; L37-K39 VanDerWaalsContact C-N 3.35Å; L37-K39 PolarHBondContact O-N 3.02Å; K39-G41 VanDerWaalsContact C-N 3.27Å
40Y93.2Very high91.9Very high68 Ų6851.8 Ų51.827%0.26725%0.251SS..THydrogen-bonded Turntrans-81.2-5.7175.9-72.3-78.2000113.5P9 R18 L20 E36 L37 K38 C99P9-Y40 HydrophobicContact CG-CE2 4.11Å; R18-Y40 PolarHBondContact NH2-O 2.99Å; L20-Y40 HydrophobicContact CD1-CD1 3.91Å; L20-Y40 HydrophobicContact CD1-CD2 4.09Å; L20-Y40 HydrophobicContact CD1-CE1 4.08Å; L20-Y40 HydrophobicContact CD1-CE2 4.27Å; L20-Y40 HydrophobicContact CD1-CG 3.94Å; L20-Y40 HydrophobicContact CD2-CD2 3.68Å; L20-Y40 HydrophobicContact CD2-CE2 4.37Å; L20-Y40 HydrophobicContact CD2-CG 3.87Å; E36-Y40 HydrophobicContact CG-CD2 4.08Å; E36-Y40 HydrophobicContact CG-CE2 3.76Å; E36-Y40 VanDerWaalsContact O-CD2 3.22Å; E36-Y40 WeakPolarHBondContact O-CD2 3.1Å; E36-Y40 PolarHBondContact O-N 2.88Å; L37-Y40 PolarHBondContact O-N 3.45Å; K38-Y40 VanDerWaalsContact C-N 3.27Å; K38-Y40 PolarHBondContact O-N 2.82Å; Y40-C99 WeakPolarHBondContact O-CB 3.38Å
41G94.4Very high91.7Very high31 Ų3154.5 Ų54.532%0.3227%0.274SS..THydrogen-bonded Turntrans71.433.3-176.500000112.8L37 K38 K39 T43 C99L37-G41 PolarHBondContact O-N 3.12Å; K38-G41 PolarHBondContact O-N 3.05Å; K39-G41 VanDerWaalsContact C-N 3.27Å; G41-T43 PolarHBondContact O-N 3.1Å; G41-C99 PolarHBondContact O-N 3.25Å
42V95.9Very high91.4Very high6 Ų652.7 Ų52.74%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-73.4126.6178.7175.90000110.2L20 L37 T44 I45 I63 C99 A101L20-V42 HydrophobicContact CB-CG2 4.28Å; L20-V42 HydrophobicContact CD2-CG2 3.89Å; L37-V42 HydrophobicContact CB-CB 4.06Å; L37-V42 HydrophobicContact CB-CG2 4.41Å; L37-V42 HydrophobicContact CD2-CB 4.22Å; L37-V42 HydrophobicContact CD2-CG1 4.23Å; L37-V42 HydrophobicContact CD2-CG2 3.98Å; L37-V42 WeakPolarHBondContact O-CB 3.31Å; L37-V42 PolarHBondContact O-N 3.3Å; V42-T44 WeakPolarHBondContact CG1-O 3.15Å; V42-I45 HydrophobicContact CG1-CG1 4.26Å; V42-I63 HydrophobicContact CG1-CG2 4.36Å; V42-C99 VanDerWaalsContact CA-O 3.24Å; V42-C99 WeakPolarHBondContact CA-O 3.2Å; V42-C99 HydrophobicContact CG2-CB 3.88Å; V42-A101 HydrophobicContact CG1-CB 3.65Å; V42-A101 HydrophobicContact CG2-CB 4.08Å
43T96.1Very high91.2Very high33 Ų3345.9 Ų45.920%0.20224%0.237CC..EExtended strand (participates in β ladder)trans-112.7-12.5176.565.40000112.6G41 H64 E95 C98 C99G41-T43 PolarHBondContact O-N 3.1Å; T43-H64 PolarHBondContact O-N 2.83Å; T43-H64 VanDerWaalsContact O-N 3.08Å; T43-E95 WeakPolarHBondContact CB-OE2 3.38Å; T43-E95 WeakPolarHBondContact CG2-OE2 3.31Å; T43-E95 PolarHBondContact OG1-OE2 3.45Å; T43-C98 HydrophobicContact CG2-CB 4.07Å; T43-C99 PolarHBondContact N-O 3.45Å
44T96.1Very high91.1Very high0 Ų049.4 Ų49.40%026%0.256CS..EExtended strand (participates in β ladder)trans-144.9135.9177.5-56.80000111.1V42 H64 L66 L87 K91 I100 A101V42-T44 WeakPolarHBondContact CG1-O 3.15Å; T44-H64 CarbonylContact C-O 3.56Å; T44-H64 VanDerWaalsContact CA-O 3.3Å; T44-H64 WeakPolarHBondContact CA-O 3.34Å; T44-L66 HydrophobicContact CG2-CD1 3.8Å; T44-L66 HydrophobicContact CG2-CG 4.33Å; T44-L87 HydrophobicContact CG2-CD1 4.37Å; T44-L87 HydrophobicContact CG2-CD2 4.25Å; T44-K91 WeakPolarHBondContact OG1-CE 3.34Å; T44-I100 CarbonylContact O-C 3.5Å; T44-I100 WeakPolarHBondContact O-CA 3.09Å; T44-A101 PolarHBondContact O-N 2.9Å
45I94.5Very high91Very high0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-112.1132.6172.6-57.9171.7000108.9F33 L37 V42 R47 V58 I63 H64 V65 L66 A101F33-I45 HydrophobicContact CE1-CD1 4.09Å; L37-I45 HydrophobicContact CD1-CD1 3.28Å; L37-I45 HydrophobicContact CD1-CG1 3.92Å; V42-I45 HydrophobicContact CG1-CG1 4.26Å; I45-R47 HydrophobicContact CG2-CG 4.37Å; I45-V58 HydrophobicContact CD1-CG1 3.66Å; I45-I63 HydrophobicContact CD1-CG2 3.81Å; I45-I63 HydrophobicContact CG1-CG2 3.63Å; I45-H64 PolarHBondContact N-O 2.54Å; I45-V65 HydrophobicContact CD1-CG2 4.42Å; I45-V65 CarbonylContact O-C 3.58Å; I45-V65 WeakPolarHBondContact O-CA 3.15Å; I45-L66 PolarHBondContact O-N 3.49Å; I45-A101 CarbonylContact C-O 3.56Å; I45-A101 WeakPolarHBondContact CA-O 3.42Å; I45-A101 HydrophobicContact CG1-CB 4.18Å
46V93.2Very high90.9Very high1 Ų148.9 Ų48.91%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-108.5118.1169.5-177.20000109.4V48 L66 W68 W84 L87 I100 A101 V102 H103V46-V48 HydrophobicContact CG1-CG1 3.99Å; V46-L66 CarbonylContact C-O 3.58Å; V46-L66 WeakPolarHBondContact CA-O 3.25Å; V46-L66 HydrophobicContact CG2-CB 4.32Å; V46-L66 HydrophobicContact CG2-CD1 4.36Å; V46-W68 HydrophobicContact CG1-CB 4.41Å; V46-W68 HydrophobicContact CG1-CD2 4.06Å; V46-W68 HydrophobicContact CG1-CE3 3.46Å; V46-W68 VanDerWaalsContact CG1-CE3 3.46Å; V46-W68 HydrophobicContact CG1-CG 4.49Å; V46-W68 HydrophobicContact CG1-CZ3 4.08Å; V46-W68 HydrophobicContact CG2-CE3 4.31Å; V46-W68 HydrophobicContact CG2-CZ3 4.11Å; V46-W84 HydrophobicContact CB-CZ3 4.2Å; V46-W84 HydrophobicContact CG2-CE3 4.1Å; V46-W84 HydrophobicContact CG2-CZ3 3.74Å; V46-L87 HydrophobicContact CG2-CD2 3.86Å; V46-I100 HydrophobicContact CG2-CG2 4.24Å; V46-A101 PolarHBondContact N-O 3.18Å; V46-V102 HydrophobicContact CB-CG2 4.42Å; V46-V102 WeakPolarHBondContact O-CA 3.49Å; V46-H103 PolarHBondContact O-N 2.95Å
47R91.6Very high90.9Very high12 Ų1249.2 Ų49.25%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-91.6116.5172.1-51.7-161.9-70.8-169.2-2.2107.9I45 A51 Y53 V65 L66 D67 W68I45-R47 HydrophobicContact CG2-CG 4.37Å; R47-A51 VanDerWaalsContact CZ-CB 3.46Å; R47-Y53 PolarHBondContact NH1-O 3.15Å; R47-V65 HydrophobicContact CG-CG1 3.84Å; R47-L66 PolarHBondContact N-O 2.88Å; R47-D67 WeakPolarHBondContact CB-OD1 3.36Å; R47-D67 IonicContact CZ-OD1 3.12Å; R47-D67 IonicContact CZ-OD2 3.7Å; R47-D67 IonicContact NE-OD1 2.64Å; R47-D67 PolarHBondContact NE-OD1 3.21Å; R47-D67 IonicContact NE-OD2 3.29Å; R47-D67 IonicContact NH2-OD1 2.87Å; R47-D67 PolarHBondContact NH2-OD1 3.27Å; R47-D67 IonicContact NH2-OD2 2.72Å; R47-D67 PolarHBondContact NH2-OD2 3.47Å; R47-W68 CarbonylContact O-C 3.48Å; R47-W68 PolarHBondContact O-N 3.25Å
48V86.6Confident90.9Very high15 Ų1549.1 Ų49.19%0.09127%0.265CS..  trans-1013.4-179.7-61.10000113.5V46 W68 P69 F70 V102 H103 C104 L108V46-V48 HydrophobicContact CG1-CG1 3.99Å; V48-W68 WeakPolarHBondContact CA-O 3.44Å; V48-P69 WeakPolarHBondContact O-CA 3.43Å; V48-F70 HydrophobicContact CB-CD1 4.25Å; V48-F70 HydrophobicContact CB-CE1 3.63Å; V48-F70 HydrophobicContact CB-CZ 4.25Å; V48-F70 HydrophobicContact CG1-CE1 3.96Å; V48-F70 HydrophobicContact CG2-CE1 4.36Å; V48-F70 PolarHBondContact O-N 2.96Å; V48-V102 HydrophobicContact CG1-CG1 4.02Å; V48-H103 WeakPolarHBondContact CG2-O 3.43Å; V48-H103 PolarHBondContact N-O 2.55Å; V48-C104 HydrophobicContact CG2-CB 3.9Å; V48-L108 HydrophobicContact CG2-CD2 4.3Å
49C82.7Confident90.8Very high29 Ų2948.7 Ų48.720%0.19626%0.264CS..SBendtrans-133.9177.2-180-66.30000108.5C104 V105C49-C104 HydrophobicContact CB-CB 3.97Å; C49-C104 WeakPolarHBondContact CB-SG 3.46Å; C49-C104 WeakPolarHBondContact SG-CB 3.23Å; C49-C104 CovalentContact SG-SG 2.04Å; C49-C104 PolarHBondContact SG-SG 3Å; C49-V105 HydrophobicContact CB-CB 4.25Å; C49-V105 HydrophobicContact CB-CG2 3.83Å
50E78.8Confident90.9Very high161 Ų16148.6 Ų48.675%0.75226%0.264SS*.  trans-53.4140.1-177.5-65.8-177.1163.100113.1T52 V105E50-T52 PolarHBondContact O-N 3.37Å; E50-V105 VanDerWaalsContact O-CG2 3.26Å; E50-V105 WeakPolarHBondContact O-CG2 3.38Å
51A85.6Confident90.9Very high63 Ų6349.6 Ų49.652%0.52127%0.271SS..  trans-69.6121.6176.200000110.3R47R47-A51 VanDerWaalsContact CZ-CB 3.46Å
52T85.9Confident90.9Very high62 Ų6251 Ų5138%0.3829%0.285SS..  trans-120-1.5-176.956.80000113.8N24 E50 V105N24-T52 PolarHBondContact ND2-OG1 2.8Å; N24-T52 PolarHBondContact OD1-OG1 3.5Å; N24-T52 VanDerWaalsContact OD1-OG1 3.04Å; E50-T52 PolarHBondContact O-N 3.37Å; T52-V105 HydrophobicContact CG2-CG1 4.41Å; T52-V105 HydrophobicContact CG2-CG2 3.84Å
53Y87.6Confident90.8Very high13 Ų1351 Ų515%0.05129%0.285CS..SBendtrans-144.215517965.2-90.3000110.3P25 N27 L30 R47 V58 H103P25-Y53 HydrophobicContact CG-CD1 3.6Å; P25-Y53 HydrophobicContact CG-CE1 3.47Å; P25-Y53 VanDerWaalsContact CG-CE1 3.47Å; P25-Y53 HydrophobicContact CG-CE2 4.41Å; P25-Y53 HydrophobicContact CG-CG 4.13Å; N27-Y53 WeakPolarHBondContact OD1-CB 3.37Å; L30-Y53 HydrophobicContact CD1-CD2 3.7Å; L30-Y53 HydrophobicContact CD1-CE2 3.99Å; L30-Y53 HydrophobicContact CD1-CG 4.27Å; L30-Y53 HydrophobicContact CD2-CD2 4.28Å; R47-Y53 PolarHBondContact NH1-O 3.15Å; Y53-V58 HydrophobicContact CE2-CG2 4.11Å; Y53-H103 AromaticContact CE1-CE1 3.68Å; Y53-H103 AromaticContact CE1-NE2 3.66Å; Y53-H103 AromaticContact CZ-NE2 3.75Å; Y53-H103 PolarHBondContact OH-NE2 3.3Å
54D88.4Confident90.8Very high86 Ų8653.7 Ų53.746%0.4630%0.295SS..  trans-76.9136179-179.171.7000111.6T56D54-T56 WeakPolarHBondContact OD2-CB 3.33Å; D54-T56 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T56 PolarHBondContact OD2-N 2.97Å; D54-T56 PolarHBondContact OD2-OG1 3.35Å
55T92.1Very high90.7Very high27 Ų2754.1 Ų54.117%0.16630%0.298CS..SBendtrans-89-10.4-174.157.50000113.4L57 V58 E59 V65T55-L57 VanDerWaalsContact C-N 3.27Å; T55-L57 PolarHBondContact O-N 3.44Å; T55-V58 WeakPolarHBondContact O-CA 3.31Å; T55-V58 WeakPolarHBondContact O-CB 3.5Å; T55-V58 PolarHBondContact O-N 2.85Å; T55-E59 WeakPolarHBondContact O-CG 3.32Å; T55-E59 PolarHBondContact O-N 2.96Å; T55-V65 HydrophobicContact CG2-CB 3.85Å; T55-V65 HydrophobicContact CG2-CG1 3.72Å; T55-V65 HydrophobicContact CG2-CG2 3.95Å
56T92.1Very high90.7Very high83 Ų8355.6 Ų55.651%0.50931%0.306SS..Hα-helixtrans-58-40.2-172.365.30000112.4D54 K60D54-T56 WeakPolarHBondContact OD2-CB 3.33Å; D54-T56 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T56 PolarHBondContact OD2-N 2.97Å; D54-T56 PolarHBondContact OD2-OG1 3.35Å; T56-K60 WeakPolarHBondContact O-CB 3.48Å; T56-K60 PolarHBondContact O-N 3.46Å
57L91.6Very high90.6Very high74 Ų7459.2 Ų59.239%0.38733%0.325SS..Hα-helixtrans-68.7-35.5176.7-68.7179.4000112.4L30 I34 T55 E61L30-L57 HydrophobicContact CD2-CB 4.37Å; L30-L57 HydrophobicContact CD2-CD1 4.2Å; I34-L57 HydrophobicContact CD1-CB 4.13Å; T55-L57 VanDerWaalsContact C-N 3.27Å; T55-L57 PolarHBondContact O-N 3.44Å; L57-E61 WeakPolarHBondContact O-CG 3.47Å; L57-E61 PolarHBondContact O-N 3.34Å
58V93.6Very high90.5Very high0 Ų060.4 Ų60.40%033%0.329CS..Hα-helixtrans-71.6-43.9179.9-179.20000110.1L30 I34 I45 Y53 T55 E61 I63 V65L30-V58 HydrophobicContact CD1-CG2 3.97Å; I34-V58 HydrophobicContact CD1-CG2 4.01Å; I34-V58 HydrophobicContact CG1-CG2 4.02Å; I45-V58 HydrophobicContact CD1-CG1 3.66Å; Y53-V58 HydrophobicContact CE2-CG2 4.11Å; T55-V58 WeakPolarHBondContact O-CA 3.31Å; T55-V58 WeakPolarHBondContact O-CB 3.5Å; T55-V58 PolarHBondContact O-N 2.85Å; V58-E61 PolarHBondContact O-N 3.49Å; V58-I63 CarbonylContact C-O 3.59Å; V58-I63 HydrophobicContact CG1-CB 3.69Å; V58-I63 HydrophobicContact CG1-CG2 3.81Å; V58-I63 PolarHBondContact O-N 2.94Å; V58-V65 HydrophobicContact CB-CG2 4.06Å; V58-V65 HydrophobicContact CG1-CG2 3.6Å
59E94.2Very high90.5Very high90 Ų9063.4 Ų63.442%0.42135%0.349SS..Hα-helixtrans-69.3-38.4178.8-69.2-177.417300112.3T55 E61 G62 I63 V65T55-E59 WeakPolarHBondContact O-CG 3.32Å; T55-E59 PolarHBondContact O-N 2.96Å; E59-E61 PolarHBondContact O-N 3.22Å; E59-E61 VanDerWaalsContact O-N 3.17Å; E59-G62 PolarHBondContact O-N 2.83Å; E59-I63 WeakPolarHBondContact CA-O 3.35Å; E59-V65 HydrophobicContact CG-CG2 4.48Å
60K94.5Very high90.5Very high167 Ų16764.9 Ų64.973%0.72635%0.352SS*.Hα-helixtrans-57-30.2173-177178.8179.2-175.90112.3T56 G62T56-K60 WeakPolarHBondContact O-CB 3.48Å; T56-K60 PolarHBondContact O-N 3.46Å; K60-G62 PolarHBondContact O-N 2.85Å
61E93.8Very high90.3Very high89 Ų8963.5 Ų63.542%0.41635%0.35SS..THydrogen-bonded Turntrans-8910.1-179.7-63.6-69.8173.500112.7I34 K38 L57 V58 E59I34-E61 HydrophobicContact CG2-CB 3.92Å; I34-E61 HydrophobicContact CG2-CG 3.96Å; K38-E61 IonicContact NZ-OE2 2.62Å; K38-E61 PolarHBondContact NZ-OE2 2.86Å; L57-E61 WeakPolarHBondContact O-CG 3.47Å; L57-E61 PolarHBondContact O-N 3.34Å; V58-E61 PolarHBondContact O-N 3.49Å; E59-E61 PolarHBondContact O-N 3.22Å; E59-E61 VanDerWaalsContact O-N 3.17Å
62G93.3Very high89.6Confident61 Ų6168.3 Ų68.363%0.62937%0.367SS*.THydrogen-bonded Turntrans8312.117500000114.4E59 K60E59-G62 PolarHBondContact O-N 2.83Å; K60-G62 PolarHBondContact O-N 2.85Å
63I95.6Very high88.9Confident4 Ų468.1 Ų68.12%0.02138%0.378CS..  trans-102.7114.7-179.3-55.5175.2000108.8I34 L37 K38 V42 I45 V58 E59I34-I63 HydrophobicContact CG2-CD1 4.42Å; L37-I63 HydrophobicContact CB-CD1 3.87Å; L37-I63 HydrophobicContact CD1-CD1 4.06Å; K38-I63 HydrophobicContact CG-CD1 4.37Å; V42-I63 HydrophobicContact CG1-CG2 4.36Å; I45-I63 HydrophobicContact CD1-CG2 3.81Å; I45-I63 HydrophobicContact CG1-CG2 3.63Å; V58-I63 CarbonylContact C-O 3.59Å; V58-I63 HydrophobicContact CG1-CB 3.69Å; V58-I63 HydrophobicContact CG1-CG2 3.81Å; V58-I63 PolarHBondContact O-N 2.94Å; E59-I63 WeakPolarHBondContact CA-O 3.35Å
64H95.1Very high88.2Confident90 Ų9069 Ų6942%0.41739%0.387SS..EExtended strand (participates in β ladder)trans-75.7138.7179.6-169.756000111.3T43 T44 I45 L66T43-H64 PolarHBondContact O-N 2.83Å; T43-H64 VanDerWaalsContact O-N 3.08Å; T44-H64 CarbonylContact C-O 3.56Å; T44-H64 VanDerWaalsContact CA-O 3.3Å; T44-H64 WeakPolarHBondContact CA-O 3.34Å; I45-H64 PolarHBondContact N-O 2.54Å; H64-L66 VanDerWaalsContact NE2-CD2 3.34Å; H64-L66 WeakPolarHBondContact NE2-CD2 3.31Å
65V94.6Very high87.6Confident10 Ų1070 Ų706%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-114.9128.8179.3-172.30000110I45 R47 T55 V58 E59I45-V65 HydrophobicContact CD1-CG2 4.42Å; I45-V65 CarbonylContact O-C 3.58Å; I45-V65 WeakPolarHBondContact O-CA 3.15Å; R47-V65 HydrophobicContact CG-CG1 3.84Å; T55-V65 HydrophobicContact CG2-CB 3.85Å; T55-V65 HydrophobicContact CG2-CG1 3.72Å; T55-V65 HydrophobicContact CG2-CG2 3.95Å; V58-V65 HydrophobicContact CB-CG2 4.06Å; V58-V65 HydrophobicContact CG1-CG2 3.6Å; E59-V65 HydrophobicContact CG-CG2 4.48Å
66L93.5Very high87Confident31 Ų3170.9 Ų70.916%0.16241%0.405CS..EExtended strand (participates in β ladder)trans-117.6132.7178.6-66.9169.4000110.3T44 I45 V46 R47 H64 W68 L87T44-L66 HydrophobicContact CG2-CD1 3.8Å; T44-L66 HydrophobicContact CG2-CG 4.33Å; I45-L66 PolarHBondContact O-N 3.49Å; V46-L66 CarbonylContact C-O 3.58Å; V46-L66 WeakPolarHBondContact CA-O 3.25Å; V46-L66 HydrophobicContact CG2-CB 4.32Å; V46-L66 HydrophobicContact CG2-CD1 4.36Å; R47-L66 PolarHBondContact N-O 2.88Å; H64-L66 VanDerWaalsContact NE2-CD2 3.34Å; H64-L66 WeakPolarHBondContact NE2-CD2 3.31Å; L66-W68 HydrophobicContact CB-CZ2 4.31Å; L66-W68 HydrophobicContact CD1-CH2 3.89Å; L66-W68 HydrophobicContact CD1-CZ2 3.74Å; L66-W68 HydrophobicContact CD2-CZ2 4.45Å; L66-W68 HydrophobicContact CG-CZ2 4.4Å; L66-L87 HydrophobicContact CD1-CD1 3.85Å; L66-L87 HydrophobicContact CD1-CD2 3.62Å; L66-L87 HydrophobicContact CD1-CG 4.34Å
67D91.9Very high86.5Confident76 Ų7669.7 Ų69.741%0.40640%0.4SS..EExtended strand (participates in β ladder)trans-106.3102-179-74.6-49.6000111.4R47 P69R47-D67 WeakPolarHBondContact CB-OD1 3.36Å; R47-D67 IonicContact CZ-OD1 3.12Å; R47-D67 IonicContact CZ-OD2 3.7Å; R47-D67 IonicContact NE-OD1 2.64Å; R47-D67 PolarHBondContact NE-OD1 3.21Å; R47-D67 IonicContact NE-OD2 3.29Å; R47-D67 IonicContact NH2-OD1 2.87Å; R47-D67 PolarHBondContact NH2-OD1 3.27Å; R47-D67 IonicContact NH2-OD2 2.72Å; R47-D67 PolarHBondContact NH2-OD2 3.47Å; D67-P69 WeakPolarHBondContact O-CD 3.19Å
68W89.9Confident86.1Confident38 Ų3872.7 Ų72.714%0.14442%0.416CS..  trans-124.263.2178.4-60.3-26.6000111.1V46 R47 V48 L66 I80 D83 W84 L87V46-W68 HydrophobicContact CG1-CB 4.41Å; V46-W68 HydrophobicContact CG1-CD2 4.06Å; V46-W68 HydrophobicContact CG1-CE3 3.46Å; V46-W68 VanDerWaalsContact CG1-CE3 3.46Å; V46-W68 HydrophobicContact CG1-CG 4.49Å; V46-W68 HydrophobicContact CG1-CZ3 4.08Å; V46-W68 HydrophobicContact CG2-CE3 4.31Å; V46-W68 HydrophobicContact CG2-CZ3 4.11Å; R47-W68 CarbonylContact O-C 3.48Å; R47-W68 PolarHBondContact O-N 3.25Å; V48-W68 WeakPolarHBondContact CA-O 3.44Å; L66-W68 HydrophobicContact CB-CZ2 4.31Å; L66-W68 HydrophobicContact CD1-CH2 3.89Å; L66-W68 HydrophobicContact CD1-CZ2 3.74Å; L66-W68 HydrophobicContact CD2-CZ2 4.45Å; L66-W68 HydrophobicContact CG-CZ2 4.4Å; W68-I80 HydrophobicContact CB-CD1 4.47Å; W68-I80 HydrophobicContact CB-CG1 4.25Å; W68-I80 HydrophobicContact CB-CG2 4.02Å; W68-D83 HydrophobicContact CH2-CB 4.1Å; W68-D83 HydrophobicContact CZ2-CB 3.85Å; W68-W84 HydrophobicContact CE3-CB 4.34Å; W68-W84 HydrophobicContact CE3-CE3 4.39Å; W68-W84 VanDerWaalsContact CZ3-CA 3.47Å; W68-W84 HydrophobicContact CZ3-CB 3.76Å; W68-W84 HydrophobicContact CZ3-CD2 4.48Å; W68-W84 AromaticContact CZ3-CE3 3.83Å; W68-W84 HydrophobicContact CZ3-CE3 3.83Å; W68-L87 HydrophobicContact CH2-CB 3.92Å; W68-L87 HydrophobicContact CH2-CD2 3.67Å; W68-L87 HydrophobicContact CH2-CG 4.35Å; W68-L87 HydrophobicContact CZ3-CD2 3.99Å
69P86.1Confident85.7Confident77 Ų7778.1 Ų78.150%0.544%0.442SS..  trans-65.9143.5-178.329.6-35.5000111.8V48 D67V48-P69 WeakPolarHBondContact O-CA 3.43Å; D67-P69 WeakPolarHBondContact O-CD 3.19Å
70F81.6Confident85.2Confident60 Ų6075.3 Ų75.326%0.26343%0.429SS..  trans-145.4153.9166.759.8-93.5000110V48 P76 I80V48-F70 HydrophobicContact CB-CD1 4.25Å; V48-F70 HydrophobicContact CB-CE1 3.63Å; V48-F70 HydrophobicContact CB-CZ 4.25Å; V48-F70 HydrophobicContact CG1-CE1 3.96Å; V48-F70 HydrophobicContact CG2-CE1 4.36Å; V48-F70 PolarHBondContact O-N 2.96Å; F70-P76 HydrophobicContact CD1-CB 3.98Å; F70-P76 HydrophobicContact CE1-CB 4.25Å; F70-P76 HydrophobicContact CG-CB 4.21Å; F70-I80 HydrophobicContact CB-CD1 4.38Å
71D74.9Confident84.6Confident132 Ų13269 Ų6971%0.70641%0.405SS*.  trans-64.1142.3-173.4-63.5-31.8000112.6G73 A74D71-G73 PolarHBondContact O-N 3.28Å; D71-A74 HydrophobicContact CB-CB 3.88Å; D71-A74 WeakPolarHBondContact O-CB 3.27Å; D71-A74 PolarHBondContact O-N 3.07Å
72D72.4Confident84.1Confident164 Ų16466.8 Ų66.888%0.87740%0.396SS*.THydrogen-bonded Turntrans-61.7132.4176.1-171.823.2000110.7A74D72-A74 PolarHBondContact O-N 2.92Å
73G70Confident83.8Confident59 Ų5966.8 Ų66.861%0.60838%0.381SS*.THydrogen-bonded Turntrans80.4-16.5-173.500000115.2D71D71-G73 PolarHBondContact O-N 3.28Å
74A73Confident83.4Confident31 Ų3167.9 Ų67.926%0.25639%0.385SS..SBendtrans-82.3153.9174.200000111.9D71 D72D71-A74 HydrophobicContact CB-CB 3.88Å; D71-A74 WeakPolarHBondContact O-CB 3.27Å; D71-A74 PolarHBondContact O-N 3.07Å; D72-A74 PolarHBondContact O-N 2.92Å
75P75.7Confident83Confident108 Ų10864.5 Ų64.570%0.70137%0.37SS*.PPolyproline II helixtrans-72148.2165.830.9-33.1000110.4
76P80.8Confident82.7Confident44 Ų4466.8 Ų66.829%0.28639%0.387SS..PPolyproline II helixtrans-61.4151.516927.7-34.4000110.5F70 I80 V81F70-P76 HydrophobicContact CD1-CB 3.98Å; F70-P76 HydrophobicContact CE1-CB 4.25Å; F70-P76 HydrophobicContact CG-CB 4.21Å; P76-I80 HydrophobicContact CB-CB 4.25Å; P76-I80 HydrophobicContact CB-CG2 3.95Å; P76-V81 HydrophobicContact CB-CG2 4.18Å; P76-V81 HydrophobicContact CG-CG2 3.78Å
77S81.6Confident82.6Confident59 Ų5966.4 Ų66.441%0.41339%0.385SS..PPolyproline II helixtrans-65.1156.4175.273.20000111.3Q79 I80 V81S77-Q79 PolarHBondContact O-N 3.5Å; S77-I80 PolarHBondContact O-N 3.32Å; S77-I80 VanDerWaalsContact O-N 3.14Å; S77-I80 WeakPolarHBondContact OG-CG1 3.39Å; S77-I80 PolarHBondContact OG-N 3.04Å; S77-V81 WeakPolarHBondContact O-CG2 3.24Å; S77-V81 PolarHBondContact O-N 3.06Å
78N82.4Confident82.4Confident136 Ų13663.1 Ų63.173%0.72737%0.367SS*.Hα-helixtrans-56.8-34.5176-69.4-29.6000112V81 D82N78-V81 PolarHBondContact O-N 3.13Å; N78-D82 WeakPolarHBondContact O-CB 3.43Å; N78-D82 PolarHBondContact O-N 2.79Å
79Q84.8Confident82.2Confident115 Ų11567.6 Ų67.654%0.53739%0.388SS..Hα-helixtrans-63.1-48.5176.6-174.359.454.100111.6S77 V81 D82 D83S77-Q79 PolarHBondContact O-N 3.5Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 3.48Å; Q79-D82 PolarHBondContact O-N 2.8Å; Q79-D83 PolarHBondContact NE2-OD1 3.15Å; Q79-D83 PolarHBondContact NE2-OD2 2.73Å; Q79-D83 WeakPolarHBondContact O-CB 3.47Å; Q79-D83 VanDerWaalsContact O-CG 3.27Å; Q79-D83 PolarHBondContact O-N 3.29Å
80I83.5Confident82.4Confident30 Ų3067.3 Ų67.315%0.15438%0.381CS..Hα-helixtrans-60.2-39.8176.8-69.7169.9000110.8W68 F70 P76 S77 W84W68-I80 HydrophobicContact CB-CD1 4.47Å; W68-I80 HydrophobicContact CB-CG1 4.25Å; W68-I80 HydrophobicContact CB-CG2 4.02Å; F70-I80 HydrophobicContact CB-CD1 4.38Å; P76-I80 HydrophobicContact CB-CB 4.25Å; P76-I80 HydrophobicContact CB-CG2 3.95Å; S77-I80 PolarHBondContact O-N 3.32Å; S77-I80 VanDerWaalsContact O-N 3.14Å; S77-I80 WeakPolarHBondContact OG-CG1 3.39Å; S77-I80 PolarHBondContact OG-N 3.04Å; I80-W84 VanDerWaalsContact O-CB 3.23Å; I80-W84 WeakPolarHBondContact O-CB 3.43Å; I80-W84 PolarHBondContact O-N 3.38Å
81V81.7Confident82.8Confident35 Ų3566.3 Ų66.321%0.21238%0.377CS..Hα-helixtrans-63.9-45.4177.2173.30000111P76 S77 N78 Q79 L85P76-V81 HydrophobicContact CB-CG2 4.18Å; P76-V81 HydrophobicContact CG-CG2 3.78Å; S77-V81 WeakPolarHBondContact O-CG2 3.24Å; S77-V81 PolarHBondContact O-N 3.06Å; N78-V81 PolarHBondContact O-N 3.13Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 3.48Å; V81-L85 HydrophobicContact CG1-CD1 3.57Å; V81-L85 WeakPolarHBondContact O-CB 3.4Å; V81-L85 WeakPolarHBondContact O-CD1 3.41Å; V81-L85 VanDerWaalsContact O-CG 3.25Å; V81-L85 WeakPolarHBondContact O-CG 3.44Å; V81-L85 PolarHBondContact O-N 2.98Å
82D83.8Confident83.6Confident43 Ų4360.2 Ų60.223%0.2334%0.344CS..Hα-helixtrans-65.3-43.8178.2-79.2-30.9000112.2N78 Q79 L85 S86 Y127N78-D82 WeakPolarHBondContact O-CB 3.43Å; N78-D82 PolarHBondContact O-N 2.79Å; Q79-D82 PolarHBondContact O-N 2.8Å; D82-L85 PolarHBondContact O-N 2.86Å; D82-S86 WeakPolarHBondContact O-CB 3.35Å; D82-S86 PolarHBondContact O-N 2.88Å; D82-Y127 PolarHBondContact OD1-OH 2.87Å
83D87Confident84.3Confident60 Ų6061 Ų6132%0.32133%0.334SS..Hα-helixtrans-64.8-42.5178-68.4-28.4000111.5W68 Q79 L85 S86 L87W68-D83 HydrophobicContact CH2-CB 4.1Å; W68-D83 HydrophobicContact CZ2-CB 3.85Å; Q79-D83 PolarHBondContact NE2-OD1 3.15Å; Q79-D83 PolarHBondContact NE2-OD2 2.73Å; Q79-D83 WeakPolarHBondContact O-CB 3.47Å; Q79-D83 VanDerWaalsContact O-CG 3.27Å; Q79-D83 PolarHBondContact O-N 3.29Å; D83-L85 PolarHBondContact O-N 2.89Å; D83-S86 PolarHBondContact O-N 3.18Å; D83-L87 WeakPolarHBondContact O-CB 3.41Å; D83-L87 PolarHBondContact O-N 3.33Å
84W87.7Confident85.3Confident27 Ų2764.7 Ų64.710%0.10234%0.336CS..Hα-helixtrans-59.9-46.1173.2171.1-94.7000112F19 V46 W68 I80 S86 L87 V88 I100 V102 F116F19-W84 AromaticContact CD1-CH2 3.74Å; F19-W84 HydrophobicContact CD1-CH2 3.74Å; F19-W84 AromaticContact CD1-CZ2 3.85Å; F19-W84 HydrophobicContact CD1-CZ2 3.85Å; F19-W84 AromaticContact CE1-CH2 3.57Å; F19-W84 HydrophobicContact CE1-CH2 3.57Å; F19-W84 AromaticContact CE1-CZ2 3.34Å; F19-W84 HydrophobicContact CE1-CZ2 3.34Å; F19-W84 HydrophobicContact CZ-CZ2 4.05Å; V46-W84 HydrophobicContact CB-CZ3 4.2Å; V46-W84 HydrophobicContact CG2-CE3 4.1Å; V46-W84 HydrophobicContact CG2-CZ3 3.74Å; W68-W84 HydrophobicContact CE3-CB 4.34Å; W68-W84 HydrophobicContact CE3-CE3 4.39Å; W68-W84 VanDerWaalsContact CZ3-CA 3.47Å; W68-W84 HydrophobicContact CZ3-CB 3.76Å; W68-W84 HydrophobicContact CZ3-CD2 4.48Å; W68-W84 AromaticContact CZ3-CE3 3.83Å; W68-W84 HydrophobicContact CZ3-CE3 3.83Å; I80-W84 VanDerWaalsContact O-CB 3.23Å; I80-W84 WeakPolarHBondContact O-CB 3.43Å; I80-W84 PolarHBondContact O-N 3.38Å; W84-S86 VanDerWaalsContact C-N 3.33Å; W84-S86 PolarHBondContact O-N 3Å; W84-L87 PolarHBondContact O-N 2.94Å; W84-V88 HydrophobicContact CD2-CG2 4.12Å; W84-V88 HydrophobicContact CH2-CG2 4.28Å; W84-V88 HydrophobicContact CZ2-CG2 3.65Å; W84-V88 WeakPolarHBondContact O-CB 3.23Å; W84-V88 VanDerWaalsContact O-CG2 3.29Å; W84-V88 WeakPolarHBondContact O-CG2 3.45Å; W84-V88 PolarHBondContact O-N 3.25Å; W84-I100 HydrophobicContact CH2-CG2 3.93Å; W84-I100 HydrophobicContact CZ3-CG2 3.93Å; W84-V102 HydrophobicContact CH2-CG2 3.55Å; W84-V102 HydrophobicContact CZ3-CG2 3.64Å; W84-F116 AromaticContact CE2-CZ 3.52Å; W84-F116 HydrophobicContact CH2-CE2 4.27Å; W84-F116 HydrophobicContact CH2-CZ 4.19Å; W84-F116 HydrophobicContact CZ2-CE1 4.13Å; W84-F116 AromaticContact CZ2-CE2 3.74Å; W84-F116 HydrophobicContact CZ2-CE2 3.74Å; W84-F116 AromaticContact CZ2-CZ 3.27Å; W84-F116 HydrophobicContact CZ2-CZ 3.27Å; W84-F116 AromaticContact NE1-CE1 3.91Å; W84-F116 AromaticContact NE1-CZ 3.56Å
85L86.7Confident86.1Confident19 Ų1966.3 Ų66.310%0.09934%0.338CS..Hα-helixtrans-64.3-38.9179.1-79154.5000112.1V81 D82 D83 K89 Y123 L124 Y127V81-L85 HydrophobicContact CG1-CD1 3.57Å; V81-L85 WeakPolarHBondContact O-CB 3.4Å; V81-L85 WeakPolarHBondContact O-CD1 3.41Å; V81-L85 VanDerWaalsContact O-CG 3.25Å; V81-L85 WeakPolarHBondContact O-CG 3.44Å; V81-L85 PolarHBondContact O-N 2.98Å; D82-L85 PolarHBondContact O-N 2.86Å; D83-L85 PolarHBondContact O-N 2.89Å; L85-K89 WeakPolarHBondContact O-CB 3.33Å; L85-K89 PolarHBondContact O-N 3.25Å; L85-K89 VanDerWaalsContact O-N 3.15Å; L85-Y123 HydrophobicContact CD1-CE1 4.35Å; L85-L124 HydrophobicContact CD2-CB 4.42Å; L85-L124 HydrophobicContact CD2-CD2 3.31Å; L85-L124 HydrophobicContact CD2-CG 4.43Å; L85-L124 HydrophobicContact CG-CD2 4.18Å; L85-Y127 HydrophobicContact CB-CD1 4.13Å; L85-Y127 HydrophobicContact CB-CE1 4.13Å; L85-Y127 HydrophobicContact CD1-CD1 3.26Å; L85-Y127 HydrophobicContact CD1-CD2 4.09Å; L85-Y127 HydrophobicContact CD1-CE1 3.15Å; L85-Y127 HydrophobicContact CD1-CE2 4.04Å; L85-Y127 HydrophobicContact CD1-CG 3.71Å; L85-Y127 HydrophobicContact CD2-CD1 3.69Å; L85-Y127 HydrophobicContact CD2-CE1 4.39Å; L85-Y127 HydrophobicContact CD2-CG 4.02Å; L85-Y127 HydrophobicContact CG-CD1 3.87Å; L85-Y127 HydrophobicContact CG-CE1 4.05Å; L85-Y127 HydrophobicContact CG-CG 4.47Å
86S88.2Confident86.8Confident59 Ų5966.5 Ų66.541%0.41334%0.339SS..Hα-helixtrans-64.5-49.2174.2-167.50000111.4D82 D83 W84 V88 K89 I90D82-S86 WeakPolarHBondContact O-CB 3.35Å; D82-S86 PolarHBondContact O-N 2.88Å; D83-S86 PolarHBondContact O-N 3.18Å; W84-S86 VanDerWaalsContact C-N 3.33Å; W84-S86 PolarHBondContact O-N 3Å; S86-V88 PolarHBondContact O-N 2.8Å; S86-K89 PolarHBondContact O-N 3.29Å; S86-I90 WeakPolarHBondContact O-CB 3.41Å; S86-I90 VanDerWaalsContact O-CG1 3.31Å; S86-I90 WeakPolarHBondContact O-CG1 3.47Å; S86-I90 PolarHBondContact O-N 3.34Å
87L90.6Very high87.2Confident23 Ų2366.5 Ų66.512%0.1235%0.348CS..Hα-helixtrans-55.1-52.9178176.572.4000111.3T44 V46 L66 W68 D83 W84 K89 I90 K91 I100T44-L87 HydrophobicContact CG2-CD1 4.37Å; T44-L87 HydrophobicContact CG2-CD2 4.25Å; V46-L87 HydrophobicContact CG2-CD2 3.86Å; L66-L87 HydrophobicContact CD1-CD1 3.85Å; L66-L87 HydrophobicContact CD1-CD2 3.62Å; L66-L87 HydrophobicContact CD1-CG 4.34Å; W68-L87 HydrophobicContact CH2-CB 3.92Å; W68-L87 HydrophobicContact CH2-CD2 3.67Å; W68-L87 HydrophobicContact CH2-CG 4.35Å; W68-L87 HydrophobicContact CZ3-CD2 3.99Å; D83-L87 WeakPolarHBondContact O-CB 3.41Å; D83-L87 PolarHBondContact O-N 3.33Å; W84-L87 PolarHBondContact O-N 2.94Å; L87-K89 VanDerWaalsContact C-N 3.3Å; L87-K89 PolarHBondContact O-N 3.04Å; L87-I90 PolarHBondContact O-N 3.24Å; L87-K91 HydrophobicContact CD1-CG 3.59Å; L87-K91 HydrophobicContact CG-CG 4.15Å; L87-K91 VanDerWaalsContact O-CB 3.27Å; L87-K91 WeakPolarHBondContact O-CB 3.38Å; L87-K91 WeakPolarHBondContact O-CG 3.46Å; L87-K91 PolarHBondContact O-N 3.15Å; L87-I100 HydrophobicContact CD2-CD1 4.33Å; L87-I100 HydrophobicContact CG-CD1 4.26Å
88V88.9Confident87.7Confident7 Ų764.1 Ų64.14%0.04233%0.331CS..Hα-helixtrans-56.4-46.7179.5166.80000110.7M17 F19 W84 S86 I90 F92 I100M17-V88 HydrophobicContact CG-CG1 4.37Å; M17-V88 HydrophobicContact SD-CG1 3.41Å; M17-V88 WeakPolarHBondContact SD-CG1 3.4Å; F19-V88 HydrophobicContact CE1-CG2 3.85Å; F19-V88 HydrophobicContact CZ-CG1 4.16Å; F19-V88 HydrophobicContact CZ-CG2 3.98Å; W84-V88 HydrophobicContact CD2-CG2 4.12Å; W84-V88 HydrophobicContact CH2-CG2 4.28Å; W84-V88 HydrophobicContact CZ2-CG2 3.65Å; W84-V88 WeakPolarHBondContact O-CB 3.23Å; W84-V88 VanDerWaalsContact O-CG2 3.29Å; W84-V88 WeakPolarHBondContact O-CG2 3.45Å; W84-V88 PolarHBondContact O-N 3.25Å; S86-V88 PolarHBondContact O-N 2.8Å; V88-I90 PolarHBondContact O-N 3.09Å; V88-F92 HydrophobicContact CB-CD2 4.42Å; V88-F92 HydrophobicContact CB-CE2 4.4Å; V88-F92 HydrophobicContact CG1-CD2 3.78Å; V88-F92 HydrophobicContact CG1-CE2 3.89Å; V88-F92 HydrophobicContact CG2-CE2 4.37Å; V88-F92 WeakPolarHBondContact O-CD2 3.46Å; V88-F92 PolarHBondContact O-N 3.32Å; V88-I100 HydrophobicContact CG2-CD1 4.29Å
89K85.6Confident88.3Confident131 Ų13157.7 Ų57.757%0.5730%0.297SS*.Hα-helixtrans-64.8-39.3-178.1-174.7-177.9-176.6-173.50112.8L85 S86 L87 R93L85-K89 WeakPolarHBondContact O-CB 3.33Å; L85-K89 PolarHBondContact O-N 3.25Å; L85-K89 VanDerWaalsContact O-N 3.15Å; S86-K89 PolarHBondContact O-N 3.29Å; L87-K89 VanDerWaalsContact C-N 3.3Å; L87-K89 PolarHBondContact O-N 3.04Å; K89-R93 VanDerWaalsContact O-CB 3.3Å; K89-R93 WeakPolarHBondContact O-CB 3.45Å
90I89.2Confident88.7Confident71 Ų7152.2 Ų52.236%0.36427%0.271SS..Hα-helixtrans-75.8-54.1-178.7-67.2168.3000109.5S86 L87 V88 F92 R93 E94S86-I90 WeakPolarHBondContact O-CB 3.41Å; S86-I90 VanDerWaalsContact O-CG1 3.31Å; S86-I90 WeakPolarHBondContact O-CG1 3.47Å; S86-I90 PolarHBondContact O-N 3.34Å; L87-I90 PolarHBondContact O-N 3.24Å; V88-I90 PolarHBondContact O-N 3.09Å; I90-F92 PolarHBondContact O-N 2.78Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 2.95Å; I90-E94 VanDerWaalsContact CG2-CD 3.48Å; I90-E94 HydrophobicContact CG2-CG 4.19Å; I90-E94 WeakPolarHBondContact CG2-OE2 3.22Å; I90-E94 PolarHBondContact O-N 3.22Å
91K91.3Very high89.2Confident39 Ų3950.8 Ų50.817%0.1726%0.264CS..Hα-helixtrans-60.4-48.6-173.3-76.7-74.6173.3-179.80113.5T44 L87 R93 E94 E95 I100T44-K91 WeakPolarHBondContact OG1-CE 3.34Å; L87-K91 HydrophobicContact CD1-CG 3.59Å; L87-K91 HydrophobicContact CG-CG 4.15Å; L87-K91 VanDerWaalsContact O-CB 3.27Å; L87-K91 WeakPolarHBondContact O-CB 3.38Å; L87-K91 WeakPolarHBondContact O-CG 3.46Å; L87-K91 PolarHBondContact O-N 3.15Å; K91-R93 PolarHBondContact O-N 2.81Å; K91-E94 PolarHBondContact O-N 2.98Å; K91-E95 WeakPolarHBondContact CD-OE1 3.45Å; K91-E95 IonicContact NZ-OE1 3.86Å; K91-E95 PolarHBondContact NZ-OE1 2.78Å; K91-E95 WeakPolarHBondContact O-CA 3.34Å; K91-E95 PolarHBondContact O-N 2.82Å; K91-I100 HydrophobicContact CB-CD1 4.04Å; K91-I100 HydrophobicContact CG-CD1 4.43Å
92F89.9Confident89.6Confident5 Ų549.6 Ų49.62%0.02226%0.256CS..Hα-helixtrans-75.4-5.8179.6-62.6-62000114N16 M17 R18 F19 V88 I90 C98 I100N16-F92 PolarHBondContact ND2-O 2.82Å; N16-F92 VanDerWaalsContact ND2-O 3.13Å; N16-F92 WeakPolarHBondContact O-CD1 3.33Å; M17-F92 HydrophobicContact CB-CD2 3.8Å; M17-F92 HydrophobicContact CB-CE1 4.49Å; M17-F92 HydrophobicContact CB-CE2 3.71Å; M17-F92 HydrophobicContact CB-CG 4.24Å; M17-F92 HydrophobicContact CB-CZ 4.09Å; M17-F92 HydrophobicContact CG-CB 4.42Å; M17-F92 HydrophobicContact CG-CD2 3.52Å; M17-F92 HydrophobicContact CG-CE2 3.92Å; M17-F92 HydrophobicContact CG-CG 4.01Å; M17-F92 HydrophobicContact SD-CD2 4.31Å; R18-F92 VanDerWaalsContact N-CE1 3.26Å; R18-F92 WeakPolarHBondContact O-CE1 3.33Å; R18-F92 WeakPolarHBondContact O-CZ 3.32Å; F19-F92 HydrophobicContact CD1-CZ 4.28Å; F19-F92 AromaticContact CE1-CE2 3.65Å; F19-F92 HydrophobicContact CE1-CE2 3.65Å; F19-F92 AromaticContact CE1-CZ 3.85Å; F19-F92 HydrophobicContact CE1-CZ 3.85Å; F19-F92 HydrophobicContact CE2-CE2 4.39Å; F19-F92 AromaticContact CZ-CE2 3.59Å; F19-F92 HydrophobicContact CZ-CE2 3.59Å; F19-F92 HydrophobicContact CZ-CZ 4.04Å; V88-F92 HydrophobicContact CB-CD2 4.42Å; V88-F92 HydrophobicContact CB-CE2 4.4Å; V88-F92 HydrophobicContact CG1-CD2 3.78Å; V88-F92 HydrophobicContact CG1-CE2 3.89Å; V88-F92 HydrophobicContact CG2-CE2 4.37Å; V88-F92 WeakPolarHBondContact O-CD2 3.46Å; V88-F92 PolarHBondContact O-N 3.32Å; I90-F92 PolarHBondContact O-N 2.78Å; F92-C98 WeakPolarHBondContact CE1-O 3.36Å; F92-I100 HydrophobicContact CD2-CD1 4.39Å; F92-I100 HydrophobicContact CE1-CG1 4.31Å; F92-I100 HydrophobicContact CE2-CD1 3.62Å; F92-I100 HydrophobicContact CE2-CG1 4.2Å; F92-I100 HydrophobicContact CZ-CB 4.22Å; F92-I100 HydrophobicContact CZ-CD1 3.69Å; F92-I100 HydrophobicContact CZ-CG1 3.72Å
93R88.9Confident89.8Confident179 Ų17947.7 Ų47.768%0.67525%0.246SC*.Hα-helixtrans-92.9-46.2171.5178.8-174.4-67.6-164-8.5111.3K89 I90 K91K89-R93 VanDerWaalsContact O-CB 3.3Å; K89-R93 WeakPolarHBondContact O-CB 3.45Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 2.95Å; K91-R93 PolarHBondContact O-N 2.81Å
94E90.8Very high89.5Confident138 Ų13845.5 Ų45.565%0.64524%0.236SC*.Hα-helixtrans-77.3-34-177.4-68.5-177.1171.600112.4I90 K91 P96I90-E94 VanDerWaalsContact CG2-CD 3.48Å; I90-E94 HydrophobicContact CG2-CG 4.19Å; I90-E94 WeakPolarHBondContact CG2-OE2 3.22Å; I90-E94 PolarHBondContact O-N 3.22Å; K91-E94 PolarHBondContact O-N 2.98Å; E94-P96 WeakPolarHBondContact O-CD 3.3Å
95E90.2Very high88.4Confident64 Ų6447.5 Ų47.530%0.29925%0.251SS..SBendtrans-122.978-178.8-60173.8-118.200110.2T43 K91 G97 C98T43-E95 WeakPolarHBondContact CB-OE2 3.38Å; T43-E95 WeakPolarHBondContact CG2-OE2 3.31Å; T43-E95 PolarHBondContact OG1-OE2 3.45Å; K91-E95 WeakPolarHBondContact CD-OE1 3.45Å; K91-E95 IonicContact NZ-OE1 3.86Å; K91-E95 PolarHBondContact NZ-OE1 2.78Å; K91-E95 WeakPolarHBondContact O-CA 3.34Å; K91-E95 PolarHBondContact O-N 2.82Å; E95-G97 PolarHBondContact O-N 3.18Å; E95-C98 HydrophobicContact CB-CB 3.84Å; E95-C98 VanDerWaalsContact O-CB 3.31Å; E95-C98 WeakPolarHBondContact O-CB 3.31Å; E95-C98 PolarHBondContact O-N 3.08Å; E95-C98 PolarHBondContact O-SG 3.38Å
96P89.9Confident87.1Confident112 Ų11250.5 Ų50.573%0.72728%0.278SS*.THydrogen-bonded Turntrans-57.9129.4179.6-24.534.2000112.3E94 C98E94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-C98 VanDerWaalsContact C-N 3.32Å
97G87.9Confident85.6Confident45 Ų4548.2 Ų48.246%0.46426%0.264SS..THydrogen-bonded Turntrans84.4-1.4179.200000115.2R18 E95R18-G97 PolarHBondContact NH1-O 2.84Å; E95-G97 PolarHBondContact O-N 3.18Å
98C93Very high84.2Confident9 Ų949.9 Ų49.96%0.06127%0.273CS..  trans-62.2168.3171.976.30000111.9T43 F92 E95 P96T43-C98 HydrophobicContact CG2-CB 4.07Å; F92-C98 WeakPolarHBondContact CE1-O 3.36Å; E95-C98 HydrophobicContact CB-CB 3.84Å; E95-C98 VanDerWaalsContact O-CB 3.31Å; E95-C98 WeakPolarHBondContact O-CB 3.31Å; E95-C98 PolarHBondContact O-N 3.08Å; E95-C98 PolarHBondContact O-SG 3.38Å; P96-C98 VanDerWaalsContact C-N 3.32Å
99C94.3Very high82.2Confident0 Ų051.5 Ų51.50%029%0.291CS..EExtended strand (participates in β ladder)trans-127.5140.8176-1720000110.6R18 Y40 G41 V42 T43R18-C99 HydrophobicContact CB-CB 4.32Å; R18-C99 WeakPolarHBondContact O-CA 3.36Å; R18-C99 PolarHBondContact O-SG 3.03Å; Y40-C99 WeakPolarHBondContact O-CB 3.38Å; G41-C99 PolarHBondContact O-N 3.25Å; V42-C99 VanDerWaalsContact CA-O 3.24Å; V42-C99 WeakPolarHBondContact CA-O 3.2Å; V42-C99 HydrophobicContact CG2-CB 3.88Å; T43-C99 PolarHBondContact N-O 3.45Å
100I94.1Very high80.1Confident0 Ų057.2 Ų57.20%031%0.309CS..EExtended strand (participates in β ladder)trans-107118.7172.6-61176.7000108.4R18 F19 L20 T44 V46 W84 L87 V88 K91 F92R18-I100 PolarHBondContact O-N 2.98Å; F19-I100 CarbonylContact C-O 3.58Å; F19-I100 VanDerWaalsContact CA-O 3.23Å; F19-I100 WeakPolarHBondContact CA-O 3.48Å; F19-I100 HydrophobicContact CD1-CB 4.05Å; F19-I100 HydrophobicContact CE1-CB 4.31Å; F19-I100 HydrophobicContact CE1-CD1 4.44Å; L20-I100 PolarHBondContact N-O 3.23Å; T44-I100 CarbonylContact O-C 3.5Å; T44-I100 WeakPolarHBondContact O-CA 3.09Å; V46-I100 HydrophobicContact CG2-CG2 4.24Å; W84-I100 HydrophobicContact CH2-CG2 3.93Å; W84-I100 HydrophobicContact CZ3-CG2 3.93Å; L87-I100 HydrophobicContact CD2-CD1 4.33Å; L87-I100 HydrophobicContact CG-CD1 4.26Å; V88-I100 HydrophobicContact CG2-CD1 4.29Å; K91-I100 HydrophobicContact CB-CD1 4.04Å; K91-I100 HydrophobicContact CG-CD1 4.43Å; F92-I100 HydrophobicContact CD2-CD1 4.39Å; F92-I100 HydrophobicContact CE1-CG1 4.31Å; F92-I100 HydrophobicContact CE2-CD1 3.62Å; F92-I100 HydrophobicContact CE2-CG1 4.2Å; F92-I100 HydrophobicContact CZ-CB 4.22Å; F92-I100 HydrophobicContact CZ-CD1 3.69Å; F92-I100 HydrophobicContact CZ-CG1 3.72Å
101A93.4Very high77.9Confident0 Ų064 Ų640%034%0.335CS..EExtended strand (participates in β ladder)trans-88143.6175.300000111.5L20 L37 V42 T44 I45 V46L20-A101 HydrophobicContact CB-CB 4.16Å; L20-A101 CarbonylContact O-C 3.58Å; L20-A101 WeakPolarHBondContact O-CA 3.38Å; L37-A101 HydrophobicContact CD2-CB 3.9Å; V42-A101 HydrophobicContact CG1-CB 3.65Å; V42-A101 HydrophobicContact CG2-CB 4.08Å; T44-A101 PolarHBondContact O-N 2.9Å; I45-A101 CarbonylContact C-O 3.56Å; I45-A101 WeakPolarHBondContact CA-O 3.42Å; I45-A101 HydrophobicContact CG1-CB 4.18Å; V46-A101 PolarHBondContact N-O 3.18Å
102V91.1Very high75.7Confident10 Ų1069.3 Ų69.36%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-131.7132.1174.9-172.30000108.8L20 I21 T22 V46 V48 W84 L108L20-V102 PolarHBondContact O-N 3.48Å; I21-V102 WeakPolarHBondContact CA-O 3.23Å; T22-V102 PolarHBondContact N-O 3.46Å; T22-V102 VanDerWaalsContact N-O 3.15Å; V46-V102 HydrophobicContact CB-CG2 4.42Å; V46-V102 WeakPolarHBondContact O-CA 3.49Å; V48-V102 HydrophobicContact CG1-CG1 4.02Å; W84-V102 HydrophobicContact CH2-CG2 3.55Å; W84-V102 HydrophobicContact CZ3-CG2 3.64Å; V102-L108 HydrophobicContact CG1-CD1 4.35Å
103H87.3Confident73.2Confident3 Ų380.9 Ų80.91%0.01440%0.398CS..EExtended strand (participates in β ladder)trans-143.6159.8175.777.980.1000112.8T22 N24 V46 V48 Y53T22-H103 HydrophobicContact CG2-CB 3.83Å; T22-H103 WeakPolarHBondContact O-CB 3.18Å; N24-H103 PolarHBondContact OD1-CE1 3.36Å; N24-H103 VanDerWaalsContact OD1-CE1 3.26Å; V46-H103 PolarHBondContact O-N 2.95Å; V48-H103 WeakPolarHBondContact CG2-O 3.43Å; V48-H103 PolarHBondContact N-O 2.55Å; Y53-H103 AromaticContact CE1-CE1 3.68Å; Y53-H103 AromaticContact CE1-NE2 3.66Å; Y53-H103 AromaticContact CZ-NE2 3.75Å; Y53-H103 PolarHBondContact OH-NE2 3.3Å
104C80.4Confident71.1Confident15 Ų1574.2 Ų74.210%0.10139%0.385CS..EExtended strand (participates in β ladder)trans-135153.5172175.40000110V48 C49 A106 G107 L108V48-C104 HydrophobicContact CG2-CB 3.9Å; C49-C104 HydrophobicContact CB-CB 3.97Å; C49-C104 WeakPolarHBondContact CB-SG 3.46Å; C49-C104 WeakPolarHBondContact SG-CB 3.23Å; C49-C104 CovalentContact SG-SG 2.04Å; C49-C104 PolarHBondContact SG-SG 3Å; C104-A106 PolarHBondContact O-N 3.2Å; C104-G107 PolarHBondContact O-N 3.14Å; C104-L108 HydrophobicContact CB-CD2 4.44Å; C104-L108 HydrophobicContact CB-CG 4.43Å
105V63.9Low68.9Low69 Ų6968.9 Ų68.942%0.41836%0.364SS..THydrogen-bonded Turntrans-55.7-45.2179.4-179.10000112.7C49 E50 T52 G107C49-V105 HydrophobicContact CB-CB 4.25Å; C49-V105 HydrophobicContact CB-CG2 3.83Å; E50-V105 VanDerWaalsContact O-CG2 3.26Å; E50-V105 WeakPolarHBondContact O-CG2 3.38Å; T52-V105 HydrophobicContact CG2-CG1 4.41Å; T52-V105 HydrophobicContact CG2-CG2 3.84Å; V105-G107 PolarHBondContact O-N 3.05Å
106A60.4Low67.2Low81 Ų8167.4 Ų67.467%0.66936%0.357SS*.THydrogen-bonded Turntrans-80.72.8179.700000114C104C104-A106 PolarHBondContact O-N 3.2Å
107G57.5Low65.6Low11 Ų1165.1 Ų65.111%0.11334%0.339CS..  trans70.5151.7-155.900000110.6C104 V105 G109C104-G107 PolarHBondContact O-N 3.14Å; V105-G107 PolarHBondContact O-N 3.05Å; G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 WeakPolarHBondContact O-CA 3.49Å; G107-G109 PolarHBondContact O-N 2.04Å
108L59.5Low64Low59 Ų5967.5 Ų67.531%0.30935%0.348SS..SBendtrans-64.396.5171.5-74.8158.1000107.5I21 V48 V102 C104 A115I21-L108 HydrophobicContact CB-CD1 4.31Å; I21-L108 HydrophobicContact CG1-CD1 4.13Å; I21-L108 HydrophobicContact CG2-CB 4.45Å; I21-L108 HydrophobicContact CG2-CD1 3.51Å; V48-L108 HydrophobicContact CG2-CD2 4.3Å; V102-L108 HydrophobicContact CG1-CD1 4.35Å; C104-L108 HydrophobicContact CB-CD2 4.44Å; C104-L108 HydrophobicContact CB-CG 4.43Å; L108-A115 HydrophobicContact CB-CB 4.21Å; L108-A115 HydrophobicContact CD1-CB 3.77Å; L108-A115 HydrophobicContact CD2-CB 4.17Å; L108-A115 HydrophobicContact CG-CB 4.27Å
109G48.6Very low62.2Low41 Ų4175 Ų7542%0.42338%0.38SS..  trans-59.5151.4-151.800000116.8G107 K111 R112G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 WeakPolarHBondContact O-CA 3.49Å; G107-G109 PolarHBondContact O-N 2.04Å; G109-K111 PolarHBondContact O-N 3.32Å; G109-R112 PolarHBondContact O-N 3.26Å
110R41.4Very low60.7Low251 Ų25178.5 Ų78.595%0.94740%0.396SS*.THydrogen-bonded Turntrans-53.65.9179.3-70.6171.7-97.5-179.9-4.5117
111K41.6Very low59.2Low213 Ų21379 Ų7993%0.92640%0.399SS*.THydrogen-bonded Turntrans-100.9-15.7169.3-88.6-175.5177.2176.80114G109G109-K111 PolarHBondContact O-N 3.32Å
112R45.1Very low57.6Low150 Ų15082.7 Ų82.757%0.56642%0.418SS*.SBendtrans-113.785.3176-62.2-174-176.1-177.14.6108.4G109 G114G109-R112 PolarHBondContact O-N 3.26Å; R112-G114 VanDerWaalsContact C-N 3.31Å; R112-G114 PolarHBondContact O-N 2.92Å
113R38.2Very low56.2Low249 Ų24988 Ų8894%0.9444%0.438SS*.SBendtrans-59.197169.8-73.3-179.3177.7169.8-1.3108.1
114G44.4Very low55.2Low39 Ų3989.1 Ų89.140%0.40244%0.444SS..  trans95.399.8-177.600000112.8R112 F116R112-G114 VanDerWaalsContact C-N 3.31Å; R112-G114 PolarHBondContact O-N 2.92Å; G114-F116 PolarHBondContact O-N 2.92Å
115A45.6Very low54.5Low25 Ų2592.9 Ų92.921%0.20746%0.46CS..SBendtrans-58.8-28.3170.500000111.9I21 L108 Q120I21-A115 HydrophobicContact CD1-CB 3.76Å; I21-A115 HydrophobicContact CG1-CB 4.34Å; L108-A115 HydrophobicContact CB-CB 4.21Å; L108-A115 HydrophobicContact CD1-CB 3.77Å; L108-A115 HydrophobicContact CD2-CB 4.17Å; L108-A115 HydrophobicContact CG-CB 4.27Å; A115-Q120 PolarHBondContact O-NE2 3.04Å; A115-Q120 PolarHBondContact O-OE1 2.79Å; A115-Q120 VanDerWaalsContact O-OE1 3.12Å
116F53.9Low54.5Low33 Ų3397 Ų9715%0.14547%0.472CS..SBendtrans-124.5108.1164.1-79.9-87000108.9W84 G114 Q120 L121 L124W84-F116 AromaticContact CE2-CZ 3.52Å; W84-F116 HydrophobicContact CH2-CE2 4.27Å; W84-F116 HydrophobicContact CH2-CZ 4.19Å; W84-F116 HydrophobicContact CZ2-CE1 4.13Å; W84-F116 AromaticContact CZ2-CE2 3.74Å; W84-F116 HydrophobicContact CZ2-CE2 3.74Å; W84-F116 AromaticContact CZ2-CZ 3.27Å; W84-F116 HydrophobicContact CZ2-CZ 3.27Å; W84-F116 AromaticContact NE1-CE1 3.91Å; W84-F116 AromaticContact NE1-CZ 3.56Å; G114-F116 PolarHBondContact O-N 2.92Å; F116-Q120 VanDerWaalsContact CA-OE1 3.27Å; F116-Q120 HydrophobicContact CD1-CB 4.16Å; F116-L121 HydrophobicContact CD1-CD2 4.37Å; F116-L124 HydrophobicContact CD1-CD1 4.42Å; F116-L124 HydrophobicContact CE1-CD1 4.01Å
117N56.4Low54.6Low65 Ų6595.8 Ų95.835%0.34845%0.451SS..  trans-91.4167.5166.667.938.4000110.7K119 Q120 L121N117-K119 PolarHBondContact O-N 3.41Å; N117-K119 VanDerWaalsContact O-N 3.14Å; N117-K119 WeakPolarHBondContact OD1-CA 3.41Å; N117-K119 VanDerWaalsContact OD1-CB 3.23Å; N117-K119 WeakPolarHBondContact OD1-CB 3.46Å; N117-K119 PolarHBondContact OD1-N 2.89Å; N117-Q120 WeakPolarHBondContact O-CB 3.48Å; N117-Q120 PolarHBondContact O-N 2.95Å; N117-Q120 PolarHBondContact OD1-N 3.26Å; N117-L121 PolarHBondContact O-N 2.98Å
118S54Low54.8Low94 Ų94105.6 Ų105.666%0.65748%0.484SS*.Hα-helixtrans-56.8-29.2178.453.40000113.3L122S118-L122 VanDerWaalsContact O-CB 3.29Å; S118-L122 WeakPolarHBondContact O-CB 3.34Å; S118-L122 PolarHBondContact O-N 3.08Å
119K54.5Low54.4Low168 Ų168106.6 Ų106.673%0.7349%0.494SS*.Hα-helixtrans-70-37.7174.5-59.4177.7177.9179.20112.1N117 L122 Y123N117-K119 PolarHBondContact O-N 3.41Å; N117-K119 VanDerWaalsContact O-N 3.14Å; N117-K119 WeakPolarHBondContact OD1-CA 3.41Å; N117-K119 VanDerWaalsContact OD1-CB 3.23Å; N117-K119 WeakPolarHBondContact OD1-CB 3.46Å; N117-K119 PolarHBondContact OD1-N 2.89Å; K119-L122 PolarHBondContact O-N 2.79Å; K119-Y123 WeakPolarHBondContact O-CB 3.13Å; K119-Y123 PolarHBondContact O-N 3.44Å
120Q62.8Low54.7Low73 Ų73114.4 Ų114.434%0.34152%0.516SS..Hα-helixtrans-68.2-42.2174.4-71.3169.7-71.500110.4A115 F116 N117 L122 Y123 L124A115-Q120 PolarHBondContact O-NE2 3.04Å; A115-Q120 PolarHBondContact O-OE1 2.79Å; A115-Q120 VanDerWaalsContact O-OE1 3.12Å; F116-Q120 VanDerWaalsContact CA-OE1 3.27Å; F116-Q120 HydrophobicContact CD1-CB 4.16Å; N117-Q120 WeakPolarHBondContact O-CB 3.48Å; N117-Q120 PolarHBondContact O-N 2.95Å; N117-Q120 PolarHBondContact OD1-N 3.26Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 3.32Å; Q120-Y123 WeakPolarHBondContact O-CB 3.17Å; Q120-Y123 PolarHBondContact O-N 2.88Å; Q120-Y123 VanDerWaalsContact O-N 3.15Å; Q120-L124 WeakPolarHBondContact O-CG 3.37Å; Q120-L124 PolarHBondContact O-N 3.26Å
121L63.7Low54.9Low11 Ų11109.9 Ų109.96%0.05851%0.508CS..Hα-helixtrans-61.7-41.8173.6-68.1167.7000112V12 Y14 F19 F116 N117 Y123 L124 E125V12-L121 HydrophobicContact CG1-CD1 4.17Å; Y14-L121 HydrophobicContact CD1-CB 4.08Å; Y14-L121 HydrophobicContact CD1-CD2 4.44Å; Y14-L121 HydrophobicContact CD2-CB 4.47Å; Y14-L121 HydrophobicContact CD2-CD1 4.27Å; Y14-L121 HydrophobicContact CE1-CB 4.4Å; Y14-L121 HydrophobicContact CG-CB 4.11Å; Y14-L121 HydrophobicContact CG-CD1 4.05Å; Y14-L121 HydrophobicContact CG-CD2 4.32Å; Y14-L121 HydrophobicContact CG-CG 4.39Å; F19-L121 HydrophobicContact CE2-CD2 4.18Å; F116-L121 HydrophobicContact CD1-CD2 4.37Å; N117-L121 PolarHBondContact O-N 2.98Å; L121-Y123 VanDerWaalsContact C-N 3.31Å; L121-Y123 PolarHBondContact O-N 3.36Å; L121-L124 HydrophobicContact CD2-CD1 4.29Å; L121-L124 WeakPolarHBondContact O-CB 3.26Å; L121-L124 PolarHBondContact O-N 3.04Å; L121-E125 PolarHBondContact O-N 2.62Å; L121-E125 VanDerWaalsContact O-N 3.11Å
122L59.3Low55.2Low77 Ų77110.9 Ų110.940%0.40351%0.506SS..Hα-helixtrans-66.4-33.4174.3-153.289.9000112.3S118 K119 Q120 E125 K126S118-L122 VanDerWaalsContact O-CB 3.29Å; S118-L122 WeakPolarHBondContact O-CB 3.34Å; S118-L122 PolarHBondContact O-N 3.08Å; K119-L122 PolarHBondContact O-N 2.79Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 3.32Å; L122-E125 PolarHBondContact O-N 3.24Å; L122-K126 PolarHBondContact O-N 3.09Å; L122-K126 VanDerWaalsContact O-N 3.14Å
123Y62.6Low55.1Low121 Ų121111.2 Ų111.248%0.47552%0.518SS..Hα-helixtrans-63.4-47.6171.9173.5-91.4000110.5L85 K119 Q120 L121 E125 K126 Y127L85-Y123 HydrophobicContact CD1-CE1 4.35Å; K119-Y123 WeakPolarHBondContact O-CB 3.13Å; K119-Y123 PolarHBondContact O-N 3.44Å; Q120-Y123 WeakPolarHBondContact O-CB 3.17Å; Q120-Y123 PolarHBondContact O-N 2.88Å; Q120-Y123 VanDerWaalsContact O-N 3.15Å; L121-Y123 VanDerWaalsContact C-N 3.31Å; L121-Y123 PolarHBondContact O-N 3.36Å; Y123-E125 PolarHBondContact O-N 2.98Å; Y123-K126 CarbonylContact O-C 3.53Å; Y123-K126 PolarHBondContact O-N 3.42Å; Y123-K126 VanDerWaalsContact O-N 3.11Å; Y123-Y127 AromaticContact CE1-CD2 3.72Å; Y123-Y127 HydrophobicContact CE1-CD2 3.72Å; Y123-Y127 HydrophobicContact CE1-CE2 4.33Å; Y123-Y127 HydrophobicContact CE1-CG 4.2Å; Y123-Y127 HydrophobicContact CE2-CD2 4.17Å; Y123-Y127 AromaticContact CZ-CD2 3.42Å; Y123-Y127 VanDerWaalsContact CZ-CD2 3.42Å; Y123-Y127 AromaticContact CZ-CE2 3.88Å; Y123-Y127 VanDerWaalsContact O-CB 3.32Å; Y123-Y127 WeakPolarHBondContact O-CB 3.49Å; Y123-Y127 PolarHBondContact O-N 3.17Å; Y123-Y127 WeakPolarHBondContact OH-CD2 3.17Å; Y123-Y127 WeakPolarHBondContact OH-CE2 3.18Å
124L64.8Low55.5Low26 Ų26110.4 Ų110.414%0.13652%0.515CS..Hα-helixtrans-56-39.5176.1-59.1179.4000111.3L85 F116 Q120 L121 Y127L85-L124 HydrophobicContact CD2-CB 4.42Å; L85-L124 HydrophobicContact CD2-CD2 3.31Å; L85-L124 HydrophobicContact CD2-CG 4.43Å; L85-L124 HydrophobicContact CG-CD2 4.18Å; F116-L124 HydrophobicContact CD1-CD1 4.42Å; F116-L124 HydrophobicContact CE1-CD1 4.01Å; Q120-L124 WeakPolarHBondContact O-CG 3.37Å; Q120-L124 PolarHBondContact O-N 3.26Å; L121-L124 HydrophobicContact CD2-CD1 4.29Å; L121-L124 WeakPolarHBondContact O-CB 3.26Å; L121-L124 PolarHBondContact O-N 3.04Å; L124-Y127 PolarHBondContact O-N 2.92Å
125E65.4Low55.2Low95 Ų95117.6 Ų117.644%0.44454%0.535SS..Hα-helixtrans-65.4-38.8178.1177.6171.5-173.200113.4Y14 K15 L121 L122 Y123Y14-E125 PolarHBondContact OH-OE2 3.32Å; K15-E125 IonicContact NZ-OE1 2.72Å; K15-E125 PolarHBondContact NZ-OE1 3.1Å; K15-E125 IonicContact NZ-OE2 3.31Å; K15-E125 PolarHBondContact NZ-OE2 3.22Å; L121-E125 PolarHBondContact O-N 2.62Å; L121-E125 VanDerWaalsContact O-N 3.11Å; L122-E125 PolarHBondContact O-N 3.24Å; Y123-E125 PolarHBondContact O-N 2.98Å
126K65.3Low55Low155 Ų155126 Ų12667%0.67457%0.567SS**Hα-helixtrans-89.6-12.5-179-65.9-178.8-178.3-176.70113L122 Y123 R128L122-K126 PolarHBondContact O-N 3.09Å; L122-K126 VanDerWaalsContact O-N 3.14Å; Y123-K126 CarbonylContact O-C 3.53Å; Y123-K126 PolarHBondContact O-N 3.42Å; Y123-K126 VanDerWaalsContact O-N 3.11Å; K126-R128 PolarHBondContact O-N 2.92Å
127Y62.6Low54.3Low56 Ų56131.2 Ų131.222%0.2260%0.597CS.*  trans-65.5117.3-175.8-171.4-106.1000110.7D82 L85 Y123 L124 P129D82-Y127 PolarHBondContact OD1-OH 2.87Å; L85-Y127 HydrophobicContact CB-CD1 4.13Å; L85-Y127 HydrophobicContact CB-CE1 4.13Å; L85-Y127 HydrophobicContact CD1-CD1 3.26Å; L85-Y127 HydrophobicContact CD1-CD2 4.09Å; L85-Y127 HydrophobicContact CD1-CE1 3.15Å; L85-Y127 HydrophobicContact CD1-CE2 4.04Å; L85-Y127 HydrophobicContact CD1-CG 3.71Å; L85-Y127 HydrophobicContact CD2-CD1 3.69Å; L85-Y127 HydrophobicContact CD2-CE1 4.39Å; L85-Y127 HydrophobicContact CD2-CG 4.02Å; L85-Y127 HydrophobicContact CG-CD1 3.87Å; L85-Y127 HydrophobicContact CG-CE1 4.05Å; L85-Y127 HydrophobicContact CG-CG 4.47Å; Y123-Y127 AromaticContact CE1-CD2 3.72Å; Y123-Y127 HydrophobicContact CE1-CD2 3.72Å; Y123-Y127 HydrophobicContact CE1-CE2 4.33Å; Y123-Y127 HydrophobicContact CE1-CG 4.2Å; Y123-Y127 HydrophobicContact CE2-CD2 4.17Å; Y123-Y127 AromaticContact CZ-CD2 3.42Å; Y123-Y127 VanDerWaalsContact CZ-CD2 3.42Å; Y123-Y127 AromaticContact CZ-CE2 3.88Å; Y123-Y127 VanDerWaalsContact O-CB 3.32Å; Y123-Y127 WeakPolarHBondContact O-CB 3.49Å; Y123-Y127 PolarHBondContact O-N 3.17Å; Y123-Y127 WeakPolarHBondContact OH-CD2 3.17Å; Y123-Y127 WeakPolarHBondContact OH-CE2 3.18Å; L124-Y127 PolarHBondContact O-N 2.92Å; Y127-P129 HydrophobicContact CD1-CG 4.13Å; Y127-P129 HydrophobicContact CE1-CB 4.05Å; Y127-P129 HydrophobicContact CE1-CG 3.8Å
128R61.5Low54Low216 Ų216133.7 Ų133.782%0.81562%0.619SS**  trans-112.8114.4166-67.7-164.1178.1173.21.2107K126 K130K126-R128 PolarHBondContact O-N 2.92Å; R128-K130 PolarHBondContact O-N 3.02Å; R128-K130 VanDerWaalsContact O-N 3.1Å
129P51.5Low53.7Low80 Ų80137.1 Ų137.152%0.51963%0.63SS.*  trans-54.5119.9177.5-18.826.5000109.2Y127 M131Y127-P129 HydrophobicContact CD1-CG 4.13Å; Y127-P129 HydrophobicContact CE1-CB 4.05Å; Y127-P129 HydrophobicContact CE1-CG 3.8Å; P129-M131 PolarHBondContact O-N 3.19Å
130K53.3Low53Low205 Ų205132.8 Ų132.889%0.89163%0.633SS**SBendtrans-76.7-15.2-179.9-74.2-175177.5179.80112.4R128R128-K130 PolarHBondContact O-N 3.02Å; R128-K130 VanDerWaalsContact O-N 3.1Å
131M46.8Very low52.1Low157 Ų157136.6 Ų136.677%0.77365%0.651SS**  trans-103.886.6-178.4-63.6-70-83.200110P129 L133P129-M131 PolarHBondContact O-N 3.19Å; M131-L133 PolarHBondContact O-N 2.83Å
132R47.6Very low51.2Low234 Ų234145.6 Ų145.688%0.88368%0.684SS**  trans-71.5106.9156.7-164.4174.5-176.9174.6-0.3104.8R134R132-R134 VanDerWaalsContact C-N 3.32Å; R132-R134 PolarHBondContact O-N 2.72Å
133L43.3Very low50.4Low156 Ų156148.7 Ų148.782%0.81770%0.701SS**  trans-50.6103.7168.3-87.8160.6000106.6M131 F135M131-L133 PolarHBondContact O-N 2.83Å; L133-F135 PolarHBondContact O-N 3.38Å; L133-F135 VanDerWaalsContact O-N 3.09Å
134R45.7Very low49.4Very low232 Ų232149.9 Ų149.988%0.87572%0.716SS**  trans-69107.3166.4-74.4-170.4178.7-159.80.6104R132 K136R132-R134 VanDerWaalsContact C-N 3.32Å; R132-R134 PolarHBondContact O-N 2.72Å; R134-K136 PolarHBondContact O-N 2.87Å
135F39.3Very low47.9Very low190 Ų190154.3 Ų154.383%0.83375%0.747SS**  trans-51.9114.1158.7-83.7-91000105.8L133 D137L133-F135 PolarHBondContact O-N 3.38Å; L133-F135 VanDerWaalsContact O-N 3.09Å; F135-D137 VanDerWaalsContact C-N 3.31Å; F135-D137 PolarHBondContact O-N 2.99Å; F135-D137 VanDerWaalsContact O-N 3.08Å
136K40.4Very low46.7Very low201 Ų201154.9 Ų154.987%0.87476%0.761SS**  trans-76.196.9173-162.9174.4-175.6178.60103.9R134 S138R134-K136 PolarHBondContact O-N 2.87Å; K136-S138 PolarHBondContact O-N 2.51Å
137D39Very low45.4Very low143 Ų143155.1 Ų155.177%0.76577%0.768SS**  trans-49.7117.9169.5-70.5-46.1000107.1F135 N139F135-D137 VanDerWaalsContact C-N 3.31Å; F135-D137 PolarHBondContact O-N 2.99Å; F135-D137 VanDerWaalsContact O-N 3.08Å; D137-N139 PolarHBondContact O-N 3.04Å
138S49.6Very low44.1Very low117 Ų117164.9 Ų164.982%0.81882%0.815SS**SBendtrans-72.278.5177.639.80000108.4K136K136-S138 PolarHBondContact O-N 2.51Å
139N48.9Very low43.2Very low167 Ų167162.4 Ų162.489%0.89382%0.815SS**  trans-165.1103.7158.5-105.2-5.9000110.3D137D137-N139 PolarHBondContact O-N 3.04Å
140G39.3Very low42.8Very low77 Ų77166.7 Ų166.779%0.79483%0.831SS**  trans142.683.4165.100000115.9
141H43.4Very low42.2Very low153 Ų153164.6 Ų164.671%0.70883%0.828SS**  trans42.1119.1134.7-111.8-76.7000122.1
142R45.8Very low42Very low199 Ų199165 Ų16575%0.75183%0.831SS**  trans70.8117.8135.6-88.4-176.1-168.4163.53.8121.9
143N42.8Very low41.6Very low142 Ų142160.7 Ų160.776%0.75983%0.828SS**  111.2126.6126.6-63.5-9.5000119.5
144N41.3Very low41.5Very low147 Ų147161 Ų16179%0.78683%0.828SS**  trans69.495.2152.6-118.844.7000119.7
145C32.7Very low41.2Very low118 Ų118155.9 Ų155.980%0.79783%0.825SS**  trans-82.3113.8156.3-172.90000108.5
146C39.6Very low41.3Very low108 Ų108153.3 Ų153.373%0.7382%0.824SS**  trans-119.5117.6159.740.50000108
147I39.2Very low41.4Very low159 Ų159149.3 Ų149.382%0.81582%0.82SS**  trans-87.1131.9163.2-60.7175000105.3
148Q35.2Very low41.6Very low262 Ų262149.9 Ų149.9100%1.22483%0.825SS**  trans-124.90168.2-163.3-179.9-34.900108.6

Retrieved 148 of 148 residues in 885.8 ms (Link to these results)

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