A0A3B5PWL3_XIPMA Loading...

Protein tyrosine phosphatase 4A2b

AlphaFold DB , UniProt , Accession A0A3B5PWL3, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 173 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
1M36.9Very low50.4Low249 Ų249135.4 Ų135.4100%1.22773%0.733SS**  0119.10-92.3152.8169.600108.5
2G34.7Very low53.7Low70 Ų70125.7 Ų125.772%0.72269%0.685SS**  trans-65.8131.8-15900000115.1L4G2-L4 PolarHBondContact O-N 3.26Å
3R45.7Very low56.7Low258 Ų258117.3 Ų117.397%0.97464%0.64SS**  trans-64.296.9157.2-86.2178.4174.5166.8-1.4108
4L41.7Very low59.5Low169 Ų169112 Ų11289%0.88561%0.609SS**  trans-89.9109170.9-93.6147.3000109.8G2G2-L4 PolarHBondContact O-N 3.26Å
5A39.6Very low62Low65 Ų65104.5 Ų104.554%0.53757%0.568SS.*  trans77.485.8151.700000118.5M7A5-M7 HydrophobicContact CB-CG 3.71Å; A5-M7 PolarHBondContact O-N 3.26Å
6N42.8Very low64.1Low172 Ų172104.3 Ų104.392%0.9256%0.56SS**  trans-64.380.4138.2-111.74.9000107.4N8N6-N8 PolarHBondContact O-N 3.46Å
7M47.8Very low65.8Low118 Ų118100.7 Ų100.758%0.58154%0.539SS*.  trans-72.5117.6165.7-65-171.2-73.200106.5A5 R9A5-M7 HydrophobicContact CB-CG 3.71Å; A5-M7 PolarHBondContact O-N 3.26Å; M7-R9 HydrophobicContact CB-CG 4.3Å; M7-R9 PolarHBondContact O-N 3.47Å
8N52.3Low67.1Low167 Ų167101.9 Ų101.989%0.89354%0.541SS*.  trans-60.675.2167.8-84.1-26000109.3N6N6-N8 PolarHBondContact O-N 3.46Å
9R62.3Low68.3Low90 Ų9098.7 Ų98.734%0.3453%0.531SS..PPolyproline II helixtrans-72.3130.6170.7-70.6-175.5177.7176.72.1106.7M7 A11M7-R9 HydrophobicContact CB-CG 4.3Å; M7-R9 PolarHBondContact O-N 3.47Å; R9-A11 PolarHBondContact O-N 3.01Å
10P69.1Low69.6Low53 Ų5393.8 Ų93.834%0.34450%0.504SS..PPolyproline II helixtrans-62.4135.4178.8-1324.5000109.3R140P10-R140 VanDerWaalsContact CB-CZ 3.47Å
11A81.3Confident71Confident78 Ų7891.1 Ų91.165%0.64549%0.487SS*.PPolyproline II helixtrans-55.6156.7178.200000111.8R9 R140R9-A11 PolarHBondContact O-N 3.01Å; A11-R140 PolarHBondContact O-NH1 3.36Å
12A90.1Very high73.9Confident19 Ų1979.3 Ų79.316%0.15743%0.429CS..PPolyproline II helixtrans-57.7139.7168.400000109.9L23 I24 T25A12-L23 HydrophobicContact CB-CD1 4Å; A12-L23 HydrophobicContact CB-CG 4.34Å; A12-I24 WeakPolarHBondContact CA-O 3.44Å; A12-T25 HydrophobicContact CB-CG2 4.04Å
13V93.4Very high76.8Confident17 Ų1776 Ų7610%0.10339%0.394CS..EExtended strand (participates in β ladder)trans-119.3116.4-177.5171.50000109.4I15 I24 K139 R140V13-I15 HydrophobicContact CG1-CD1 4.09Å; V13-I15 HydrophobicContact CG1-CG1 4.33Å; V13-I24 HydrophobicContact CB-CB 4.46Å; V13-I24 PolarHBondContact N-O 3.32Å; V13-I24 PolarHBondContact O-N 2.88Å; V13-K139 HydrophobicContact CG1-CB 3.38Å; V13-K139 HydrophobicContact CG1-CD 4.18Å; V13-K139 HydrophobicContact CG1-CG 4.42Å; V13-K139 WeakPolarHBondContact CG2-O 3.44Å; V13-R140 HydrophobicContact CG2-CB 4.45Å
14E95.8Very high79.2Confident43 Ų4363.7 Ų63.720%0.20135%0.348CS..EExtended strand (participates in β ladder)trans-88.3129.1175.6-165.4-177.1-155.300110.8K16 R21 F22 L23 F43 K139E14-K16 HydrophobicContact CG-CG 4.25Å; E14-K16 WeakPolarHBondContact OE1-CE 3.47Å; E14-K16 IonicContact OE1-NZ 3.59Å; E14-K16 PolarHBondContact OE1-NZ 3.32Å; E14-K16 WeakPolarHBondContact OE2-CE 3.41Å; E14-K16 IonicContact OE2-NZ 2.75Å; E14-K16 PolarHBondContact OE2-NZ 3.06Å; E14-R21 IonicContact OE1-CZ 3.37Å; E14-R21 IonicContact OE1-NE 3.74Å; E14-R21 PolarHBondContact OE1-NE 3.49Å; E14-R21 IonicContact OE1-NH2 3.71Å; E14-R21 PolarHBondContact OE1-NH2 2.99Å; E14-F22 CarbonylContact C-O 3.55Å; E14-F22 VanDerWaalsContact CA-O 3.31Å; E14-F22 WeakPolarHBondContact CA-O 3.43Å; E14-L23 HydrophobicContact CB-CD1 4.15Å; E14-F43 HydrophobicContact CB-CD1 4.47Å; E14-F43 HydrophobicContact CB-CE1 4.21Å; E14-F43 HydrophobicContact CG-CD1 4.41Å; E14-K139 VanDerWaalsContact O-CD 3.23Å; E14-K139 WeakPolarHBondContact O-CD 3.35Å; E14-K139 WeakPolarHBondContact O-CE 3.4Å; E14-K139 PolarHBondContact O-NZ 3.33Å
15I96.3Very high81.6Confident0 Ų055.6 Ų55.60%031%0.306CS..EExtended strand (participates in β ladder)trans-116.5121.7175.2-57.9-71.6000107.5V13 F22 I24 V118 L122 F135 I136 K139V13-I15 HydrophobicContact CG1-CD1 4.09Å; V13-I15 HydrophobicContact CG1-CG1 4.33Å; I15-F22 HydrophobicContact CB-CB 4.34Å; I15-F22 HydrophobicContact CG2-CD2 4.44Å; I15-F22 PolarHBondContact N-O 2.86Å; I15-F22 PolarHBondContact O-N 3.14Å; I15-I24 HydrophobicContact CG1-CD1 4.33Å; I15-V118 HydrophobicContact CB-CG1 4.2Å; I15-V118 HydrophobicContact CG1-CG1 4.31Å; I15-V118 HydrophobicContact CG2-CG1 4Å; I15-L122 HydrophobicContact CG2-CD1 4.5Å; I15-F135 HydrophobicContact CG2-CD1 4.16Å; I15-F135 HydrophobicContact CG2-CE1 3.58Å; I15-F135 HydrophobicContact CG2-CZ 4.29Å; I15-I136 HydrophobicContact CD1-CG1 4.35Å; I15-K139 HydrophobicContact CD1-CB 4.17Å; I15-K139 HydrophobicContact CD1-CD 3.73Å; I15-K139 HydrophobicContact CD1-CG 4.08Å
16K95.6Very high84Confident101 Ų10154 Ų5444%0.43929%0.287SS..EExtended strand (participates in β ladder)trans-119.1132.5177.3-57.9-168.3-176.3-177.20109.3E14 M20 R21 F135E14-K16 HydrophobicContact CG-CG 4.25Å; E14-K16 WeakPolarHBondContact OE1-CE 3.47Å; E14-K16 IonicContact OE1-NZ 3.59Å; E14-K16 PolarHBondContact OE1-NZ 3.32Å; E14-K16 WeakPolarHBondContact OE2-CE 3.41Å; E14-K16 IonicContact OE2-NZ 2.75Å; E14-K16 PolarHBondContact OE2-NZ 3.06Å; K16-M20 WeakPolarHBondContact CA-O 3.43Å; K16-R21 HydrophobicContact CD-CG 4.32Å; K16-R21 HydrophobicContact CG-CG 4.12Å; K16-F135 WeakPolarHBondContact O-CZ 3.33Å
17H93.7Very high86.2Confident43 Ų4347 Ų4720%0.19925%0.249CC..EExtended strand (participates in β ladder)trans-152.1118.1173.9-177.256.9000109A19 M20 L122 M127H17-A19 PolarHBondContact O-N 2.96Å; H17-M20 PolarHBondContact N-O 3Å; H17-M20 WeakPolarHBondContact O-CB 3.38Å; H17-M20 PolarHBondContact O-N 3.18Å; H17-L122 HydrophobicContact CB-CD2 3.43Å; H17-L122 VanDerWaalsContact CB-CD2 3.43Å; H17-M127 VanDerWaalsContact CE1-CE 3.49Å; H17-M127 WeakPolarHBondContact CE1-CE 3.38Å; H17-M127 WeakPolarHBondContact ND1-CE 2.88Å
18E89.3Confident88.3Confident122 Ų12241.4 Ų41.457%0.5722%0.222SC*.THydrogen-bonded Turntrans51.7-129.5-172.7-55.8-177.5169.100111.2M20E18-M20 PolarHBondContact O-N 3.48Å
19A89.7Confident90.1Very high42 Ų4236 Ų3635%0.34720%0.195SC..THydrogen-bonded Turntrans-75.3-8.1176.800000114H17 F163H17-A19 PolarHBondContact O-N 2.96Å; A19-F163 HydrophobicContact CB-CB 4.46Å; A19-F163 HydrophobicContact CB-CD2 4.15Å; A19-F163 HydrophobicContact CB-CG 4.22Å
20M94.8Very high91.4Very high0 Ų037.1 Ų37.10%021%0.208CC..EExtended strand (participates in β ladder)trans-92.1131.4-174.7-54.7-174.7-81.100111.9K16 H17 E18 F22 F95 A121 L161 F163K16-M20 WeakPolarHBondContact CA-O 3.43Å; H17-M20 PolarHBondContact N-O 3Å; H17-M20 WeakPolarHBondContact O-CB 3.38Å; H17-M20 PolarHBondContact O-N 3.18Å; E18-M20 PolarHBondContact O-N 3.48Å; M20-F22 HydrophobicContact CB-CD2 4.49Å; M20-F22 HydrophobicContact CB-CE2 3.59Å; M20-F22 HydrophobicContact CB-CZ 3.76Å; M20-F22 HydrophobicContact CG-CE2 4.47Å; M20-F22 HydrophobicContact CG-CZ 4.3Å; M20-F22 HydrophobicContact SD-CE2 4.2Å; M20-F22 HydrophobicContact SD-CZ 3.88Å; M20-F95 HydrophobicContact CB-CD2 3.99Å; M20-F95 HydrophobicContact CB-CE2 3.59Å; M20-F95 HydrophobicContact CB-CZ 3.94Å; M20-F95 HydrophobicContact CG-CD2 3.56Å; M20-F95 HydrophobicContact CG-CE2 3.59Å; M20-F95 HydrophobicContact CG-CG 4.32Å; M20-F95 HydrophobicContact CG-CZ 4.41Å; M20-F95 HydrophobicContact SD-CD2 4.39Å; M20-F95 HydrophobicContact SD-CE2 4.25Å; M20-A121 HydrophobicContact SD-CB 4.35Å; M20-L161 HydrophobicContact SD-CB 4.26Å; M20-L161 HydrophobicContact SD-CD1 3.9Å; M20-F163 HydrophobicContact CG-CD2 4.32Å; M20-F163 HydrophobicContact CG-CE2 3.49Å; M20-F163 VanDerWaalsContact CG-CE2 3.49Å; M20-F163 HydrophobicContact CG-CZ 4.21Å; M20-F163 HydrophobicContact SD-CE2 3.86Å
21R97.4Very high92.4Very high38 Ų3839.4 Ų39.414%0.14323%0.231CC..EExtended strand (participates in β ladder)trans-126.7128.4171.7-59.6173.661.2-167.7-0.7110E14 K16 E44 F95 G100 C102 V103E14-R21 IonicContact OE1-CZ 3.37Å; E14-R21 IonicContact OE1-NE 3.74Å; E14-R21 PolarHBondContact OE1-NE 3.49Å; E14-R21 IonicContact OE1-NH2 3.71Å; E14-R21 PolarHBondContact OE1-NH2 2.99Å; K16-R21 HydrophobicContact CD-CG 4.32Å; K16-R21 HydrophobicContact CG-CG 4.12Å; R21-E44 IonicContact CZ-OE2 2.8Å; R21-E44 IonicContact NH1-OE2 3.05Å; R21-E44 PolarHBondContact NH1-OE2 3.43Å; R21-E44 IonicContact NH2-OE2 3.63Å; R21-F95 WeakPolarHBondContact O-CZ 3.43Å; R21-G100 WeakPolarHBondContact CD-O 3.45Å; R21-G100 PolarHBondContact NH1-O 3.04Å; R21-C102 HydrophobicContact CB-CB 4.29Å; R21-C102 WeakPolarHBondContact O-CA 3.41Å; R21-V103 PolarHBondContact O-N 3.28Å
22F97.9Very high92.9Very high0 Ų037.7 Ų37.70%021%0.213CC..EExtended strand (participates in β ladder)trans-124.8147.3178.9-52.4-77.5000111.3E14 I15 M20 W87 L91 F95 V103 V118 A121E14-F22 CarbonylContact C-O 3.55Å; E14-F22 VanDerWaalsContact CA-O 3.31Å; E14-F22 WeakPolarHBondContact CA-O 3.43Å; I15-F22 HydrophobicContact CB-CB 4.34Å; I15-F22 HydrophobicContact CG2-CD2 4.44Å; I15-F22 PolarHBondContact N-O 2.86Å; I15-F22 PolarHBondContact O-N 3.14Å; M20-F22 HydrophobicContact CB-CD2 4.49Å; M20-F22 HydrophobicContact CB-CE2 3.59Å; M20-F22 HydrophobicContact CB-CZ 3.76Å; M20-F22 HydrophobicContact CG-CE2 4.47Å; M20-F22 HydrophobicContact CG-CZ 4.3Å; M20-F22 HydrophobicContact SD-CE2 4.2Å; M20-F22 HydrophobicContact SD-CZ 3.88Å; F22-W87 AromaticContact CD1-CH2 3.87Å; F22-W87 HydrophobicContact CD1-CH2 3.87Å; F22-W87 AromaticContact CD1-CZ2 3.97Å; F22-W87 HydrophobicContact CD1-CZ2 3.97Å; F22-W87 AromaticContact CE1-CH2 3.79Å; F22-W87 HydrophobicContact CE1-CH2 3.79Å; F22-W87 AromaticContact CE1-CZ2 3.61Å; F22-W87 HydrophobicContact CE1-CZ2 3.61Å; F22-W87 HydrophobicContact CZ-CZ2 4.46Å; F22-L91 HydrophobicContact CE1-CD1 3.59Å; F22-L91 HydrophobicContact CE1-CD2 3.68Å; F22-L91 HydrophobicContact CE1-CG 4.24Å; F22-L91 HydrophobicContact CZ-CD1 3.68Å; F22-L91 HydrophobicContact CZ-CD2 4.46Å; F22-F95 HydrophobicContact CD1-CZ 4.26Å; F22-F95 AromaticContact CE1-CE2 3.73Å; F22-F95 HydrophobicContact CE1-CE2 3.73Å; F22-F95 AromaticContact CE1-CZ 3.74Å; F22-F95 HydrophobicContact CE1-CZ 3.74Å; F22-F95 AromaticContact CZ-CE2 3.72Å; F22-F95 HydrophobicContact CZ-CE2 3.72Å; F22-F95 HydrophobicContact CZ-CZ 4Å; F22-V103 VanDerWaalsContact CA-O 3.23Å; F22-V103 WeakPolarHBondContact CA-O 3.07Å; F22-V103 HydrophobicContact CD1-CB 4.28Å; F22-V118 HydrophobicContact CB-CG1 4.26Å; F22-V118 HydrophobicContact CB-CG2 4.12Å; F22-V118 HydrophobicContact CD2-CG1 3.85Å; F22-V118 HydrophobicContact CE2-CG1 4.44Å; F22-V118 HydrophobicContact CG-CG1 4.1Å; F22-V118 HydrophobicContact CG-CG2 4.23Å; F22-A121 HydrophobicContact CE1-CB 4.24Å; F22-A121 HydrophobicContact CE2-CB 4.07Å; F22-A121 HydrophobicContact CZ-CB 3.52Å
23L97.2Very high93.1Very high0 Ų037.2 Ų37.20%021%0.208CC..EExtended strand (participates in β ladder)trans-122112.1171.8-168.772.1000110.5A12 E14 T25 L40 F43 V45 V103 A104 V105A12-L23 HydrophobicContact CB-CD1 4Å; A12-L23 HydrophobicContact CB-CG 4.34Å; E14-L23 HydrophobicContact CB-CD1 4.15Å; L23-T25 HydrophobicContact CD2-CG2 3.58Å; L23-T25 HydrophobicContact CG-CG2 3.63Å; L23-L40 HydrophobicContact CD2-CD2 3.97Å; L23-F43 HydrophobicContact CD1-CB 4.39Å; L23-F43 HydrophobicContact CD1-CD1 3.81Å; L23-F43 HydrophobicContact CD1-CD2 3.95Å; L23-F43 HydrophobicContact CD1-CE1 4Å; L23-F43 HydrophobicContact CD1-CE2 4.16Å; L23-F43 HydrophobicContact CD1-CG 3.79Å; L23-F43 HydrophobicContact CD1-CZ 4.18Å; L23-F43 HydrophobicContact CD2-CB 3.89Å; L23-F43 HydrophobicContact CD2-CD2 3.77Å; L23-F43 HydrophobicContact CD2-CG 3.89Å; L23-F43 HydrophobicContact CG-CG 4.45Å; L23-V45 HydrophobicContact CB-CG2 4.27Å; L23-V45 HydrophobicContact CD2-CG2 3.84Å; L23-V103 PolarHBondContact N-O 3.46Å; L23-A104 HydrophobicContact CB-CB 4.07Å; L23-A104 CarbonylContact O-C 3.57Å; L23-A104 WeakPolarHBondContact O-CA 3.48Å; L23-V105 PolarHBondContact O-N 2.68Å
24I95.1Very high93.1Very high0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-89.7113.3174-57.2175.2000108.3A12 V13 I15 V105 A114 P115 V118A12-I24 WeakPolarHBondContact CA-O 3.44Å; V13-I24 HydrophobicContact CB-CB 4.46Å; V13-I24 PolarHBondContact N-O 3.32Å; V13-I24 PolarHBondContact O-N 2.88Å; I15-I24 HydrophobicContact CG1-CD1 4.33Å; I24-V105 WeakPolarHBondContact CA-O 3.02Å; I24-A114 HydrophobicContact CG2-CB 4.23Å; I24-P115 HydrophobicContact CD1-CG 4.24Å; I24-V118 HydrophobicContact CD1-CB 4.37Å; I24-V118 HydrophobicContact CD1-CG2 3.99Å; I24-V118 HydrophobicContact CG1-CG2 3.96Å
25T93.1Very high93Very high0 Ų047.5 Ų47.50%026%0.256CS..EExtended strand (participates in β ladder)trans-115.4174.8-177.6660000112.2A12 L23 F36 L40 V105 H106A12-T25 HydrophobicContact CB-CG2 4.04Å; L23-T25 HydrophobicContact CD2-CG2 3.58Å; L23-T25 HydrophobicContact CG-CG2 3.63Å; T25-F36 HydrophobicContact CG2-CE2 4.33Å; T25-L40 HydrophobicContact CG2-CD2 4.26Å; T25-V105 PolarHBondContact N-O 3.35Å; T25-H106 WeakPolarHBondContact OG1-CB 3.09Å
26H89.3Confident92.9Very high32 Ų3247.7 Ų47.715%0.14826%0.257CS..PPolyproline II helixtrans-95160.2171.465.3-84.7000110.1P28H26-P28 WeakPolarHBondContact O-CD 3.43Å
27N89.6Confident92.9Very high23 Ų2343.2 Ų43.212%0.12324%0.238CC..PPolyproline II helixtrans-65.8122.6174.9-162.122.3000110.8T55 Y56 H106 C107 V108N27-T55 PolarHBondContact ND2-OG1 3.17Å; N27-T55 PolarHBondContact OD1-OG1 3.01Å; N27-Y56 WeakPolarHBondContact OD1-CE1 3.31Å; N27-H106 PolarHBondContact OD1-CE1 3.46Å; N27-C107 VanDerWaalsContact CB-O 3.3Å; N27-C107 WeakPolarHBondContact CB-O 3.49Å; N27-V108 WeakPolarHBondContact CB-O 3.38Å; N27-V108 PolarHBondContact N-O 3.04Å
28P91.7Very high93Very high1 Ų146.6 Ų46.61%0.00625%0.254CS..PPolyproline II helixtrans-70.4164.8172.932.2-37.1000111H26 L33 F36 Y56H26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-L33 HydrophobicContact CB-CD1 4.25Å; P28-L33 HydrophobicContact CG-CD1 3.97Å; P28-F36 HydrophobicContact CB-CB 3.89Å; P28-F36 HydrophobicContact CB-CD1 4.01Å; P28-F36 HydrophobicContact CB-CD2 4.09Å; P28-F36 HydrophobicContact CB-CG 3.74Å; P28-F36 HydrophobicContact CG-CD1 3.73Å; P28-F36 HydrophobicContact CG-CD2 4.26Å; P28-F36 HydrophobicContact CG-CE1 3.83Å; P28-F36 HydrophobicContact CG-CE2 4.35Å; P28-F36 HydrophobicContact CG-CG 3.94Å; P28-F36 HydrophobicContact CG-CZ 4.14Å; P28-Y56 HydrophobicContact CG-CD1 3.74Å; P28-Y56 HydrophobicContact CG-CD2 4.38Å; P28-Y56 HydrophobicContact CG-CE1 3.38Å; P28-Y56 HydrophobicContact CG-CE2 4.09Å; P28-Y56 HydrophobicContact CG-CG 4.23Å
29T89.6Confident93.3Very high54 Ų5443.4 Ų43.433%0.33124%0.239SC..  trans-105.9161.316461.40000108.5A31 T32 L33T29-A31 PolarHBondContact O-N 3.14Å; T29-A31 VanDerWaalsContact O-N 3.13Å; T29-T32 PolarHBondContact N-OG1 2.99Å; T29-T32 CarbonylContact O-C 3.59Å; T29-T32 PolarHBondContact O-N 3.44Å; T29-T32 PolarHBondContact O-OG1 2.95Å; T29-T32 PolarHBondContact OG1-N 2.93Å; T29-T32 PolarHBondContact OG1-OG1 3.45Å; T29-L33 PolarHBondContact O-N 3.33Å
30N89.3Confident93.6Very high113 Ų11341.4 Ų41.460%0.60422%0.222SC*.G310 helixtrans-52.3-37.5174.6-68.5-28.4000112.3T32 L33 Y56N30-T32 VanDerWaalsContact C-N 3.31Å; N30-T32 PolarHBondContact O-N 3.29Å; N30-L33 PolarHBondContact O-N 3.38Å; N30-Y56 VanDerWaalsContact OD1-CB 3.29Å; N30-Y56 WeakPolarHBondContact OD1-CB 3.31Å
31A90.4Very high93.6Very high102 Ų10246 Ų4684%0.84324%0.243SC*.G310 helixtrans-69.4-22.7177.800000114.5T29T29-A31 PolarHBondContact O-N 3.14Å; T29-A31 VanDerWaalsContact O-N 3.13Å
32T92.1Very high93.5Very high41 Ų4152.1 Ų52.125%0.25227%0.27SS..G310 helixtrans-107.82.2-178.561.20000112.7T29 N30 N34 K35 F36T29-T32 PolarHBondContact N-OG1 2.99Å; T29-T32 CarbonylContact O-C 3.59Å; T29-T32 PolarHBondContact O-N 3.44Å; T29-T32 PolarHBondContact O-OG1 2.95Å; T29-T32 PolarHBondContact OG1-N 2.93Å; T29-T32 PolarHBondContact OG1-OG1 3.45Å; N30-T32 VanDerWaalsContact C-N 3.31Å; N30-T32 PolarHBondContact O-N 3.29Å; T32-N34 PolarHBondContact O-N 3Å; T32-K35 PolarHBondContact O-N 2.98Å; T32-F36 WeakPolarHBondContact O-CB 3.26Å; T32-F36 PolarHBondContact O-N 2.94Å
33L93.4Very high93.4Very high9 Ų954.8 Ų54.85%0.04728%0.282CS..Hα-helixtrans-62-41.6-170.6-169.660.6000112.1P28 T29 N30 K35 F36 T37 Y56 P60 V61P28-L33 HydrophobicContact CB-CD1 4.25Å; P28-L33 HydrophobicContact CG-CD1 3.97Å; T29-L33 PolarHBondContact O-N 3.33Å; N30-L33 PolarHBondContact O-N 3.38Å; L33-K35 PolarHBondContact O-N 3.36Å; L33-F36 HydrophobicContact CD1-CD1 4.17Å; L33-F36 WeakPolarHBondContact O-CB 3.18Å; L33-F36 PolarHBondContact O-N 2.75Å; L33-T37 PolarHBondContact O-N 2.8Å; L33-T37 PolarHBondContact O-OG1 3.13Å; L33-Y56 HydrophobicContact CD1-CD2 3.5Å; L33-Y56 VanDerWaalsContact CD1-CD2 3.5Å; L33-Y56 HydrophobicContact CD1-CE2 3.62Å; L33-Y56 HydrophobicContact CD1-CG 4.29Å; L33-Y56 HydrophobicContact CD2-CD2 4.13Å; L33-Y56 HydrophobicContact CG-CD2 4.48Å; L33-P60 HydrophobicContact CD2-CB 3.88Å; L33-P60 HydrophobicContact CD2-CG 3.85Å; L33-V61 HydrophobicContact CD1-CG2 3.82Å; L33-V61 HydrophobicContact CG-CG2 4.38Å
34N94.3Very high93.4Very high118 Ų11860.5 Ų60.563%0.63131%0.308SS*.Hα-helixtrans-61-47.7178.2-65.3-6.3000112.1T32 F36 T37 E38T32-N34 PolarHBondContact O-N 3Å; N34-F36 VanDerWaalsContact C-N 3.28Å; N34-F36 PolarHBondContact O-N 2.86Å; N34-T37 PolarHBondContact O-N 3.17Å; N34-E38 WeakPolarHBondContact O-CG 3.45Å; N34-E38 PolarHBondContact O-N 3.45Å
35K93.7Very high93.5Very high158 Ų15860.9 Ų60.969%0.68731%0.311SS*.Hα-helixtrans-63.6-36.8177.1-66.2-174.8179.2-179.10111.9T32 L33 E38 E39T32-K35 PolarHBondContact O-N 2.98Å; L33-K35 PolarHBondContact O-N 3.36Å; K35-E38 PolarHBondContact O-N 3.06Å; K35-E39 WeakPolarHBondContact O-CB 3.31Å; K35-E39 PolarHBondContact O-N 3.49Å
36F94.4Very high93.6Very high5 Ų561.9 Ų61.92%0.02232%0.316CS..Hα-helixtrans-64.2-46.1175.1174.5-101.7000111.1T25 P28 T32 L33 N34 E38 E39 L40 L48T25-F36 HydrophobicContact CG2-CE2 4.33Å; P28-F36 HydrophobicContact CB-CB 3.89Å; P28-F36 HydrophobicContact CB-CD1 4.01Å; P28-F36 HydrophobicContact CB-CD2 4.09Å; P28-F36 HydrophobicContact CB-CG 3.74Å; P28-F36 HydrophobicContact CG-CD1 3.73Å; P28-F36 HydrophobicContact CG-CD2 4.26Å; P28-F36 HydrophobicContact CG-CE1 3.83Å; P28-F36 HydrophobicContact CG-CE2 4.35Å; P28-F36 HydrophobicContact CG-CG 3.94Å; P28-F36 HydrophobicContact CG-CZ 4.14Å; T32-F36 WeakPolarHBondContact O-CB 3.26Å; T32-F36 PolarHBondContact O-N 2.94Å; L33-F36 HydrophobicContact CD1-CD1 4.17Å; L33-F36 WeakPolarHBondContact O-CB 3.18Å; L33-F36 PolarHBondContact O-N 2.75Å; N34-F36 VanDerWaalsContact C-N 3.28Å; N34-F36 PolarHBondContact O-N 2.86Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-E38 PolarHBondContact O-N 3.32Å; F36-E39 WeakPolarHBondContact O-CB 3.38Å; F36-E39 PolarHBondContact O-N 2.98Å; F36-E39 VanDerWaalsContact O-N 3.12Å; F36-L40 HydrophobicContact CD1-CD1 4.03Å; F36-L40 HydrophobicContact CD1-CG 4.34Å; F36-L40 HydrophobicContact CE1-CD1 3.51Å; F36-L40 HydrophobicContact CE1-CD2 4.45Å; F36-L40 HydrophobicContact CE1-CG 4.05Å; F36-L40 HydrophobicContact CE2-CD2 4.31Å; F36-L40 HydrophobicContact CZ-CD1 3.93Å; F36-L40 HydrophobicContact CZ-CD2 4.06Å; F36-L40 HydrophobicContact CZ-CG 4.15Å; F36-L40 WeakPolarHBondContact O-CG 3.38Å; F36-L40 PolarHBondContact O-N 3.35Å; F36-L48 HydrophobicContact CE1-CD2 3.82Å; F36-L48 HydrophobicContact CZ-CD1 4.18Å; F36-L48 HydrophobicContact CZ-CD2 4.11Å
37T95.6Very high94Very high7 Ų760.3 Ų60.34%0.04331%0.309CS..Hα-helixtrans-62.7-40.3176.4-50.80000112L33 N34 E39 L40 K41 E64 I66L33-T37 PolarHBondContact O-N 2.8Å; L33-T37 PolarHBondContact O-OG1 3.13Å; N34-T37 PolarHBondContact O-N 3.17Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E39 PolarHBondContact O-N 2.56Å; T37-L40 PolarHBondContact O-N 2.88Å; T37-K41 WeakPolarHBondContact O-CG 3.43Å; T37-K41 PolarHBondContact O-N 3.41Å; T37-E64 HydrophobicContact CG2-CB 3.76Å; T37-E64 HydrophobicContact CG2-CG 3.67Å; T37-I66 HydrophobicContact CG2-CD1 4.27Å
38E95.3Very high94.4Very high113 Ų11359.2 Ų59.253%0.52830%0.303SS..Hα-helixtrans-60.8-40.7172-72.8172.8-16700112.3N34 K35 F36 K41 K42N34-E38 WeakPolarHBondContact O-CG 3.45Å; N34-E38 PolarHBondContact O-N 3.45Å; K35-E38 PolarHBondContact O-N 3.06Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-E38 PolarHBondContact O-N 3.32Å; E38-K41 PolarHBondContact O-N 3.01Å; E38-K42 WeakPolarHBondContact O-CG 3.08Å; E38-K42 PolarHBondContact O-N 3.29Å; E38-K42 VanDerWaalsContact O-N 3.12Å
39E94.9Very high94.7Very high56 Ų5659.2 Ų59.226%0.26230%0.303SS..Hα-helixtrans-63-47175.2-173.8174.4-143.500111.1K35 F36 T37 K41 K42 F43K35-E39 WeakPolarHBondContact O-CB 3.31Å; K35-E39 PolarHBondContact O-N 3.49Å; F36-E39 WeakPolarHBondContact O-CB 3.38Å; F36-E39 PolarHBondContact O-N 2.98Å; F36-E39 VanDerWaalsContact O-N 3.12Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E39 PolarHBondContact O-N 2.56Å; E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 PolarHBondContact O-N 2.98Å; E39-K42 WeakPolarHBondContact O-CB 3.5Å; E39-K42 PolarHBondContact O-N 3.47Å; E39-K42 VanDerWaalsContact O-N 3.11Å; E39-F43 HydrophobicContact CG-CD2 4.29Å; E39-F43 HydrophobicContact CG-CE2 4.12Å; E39-F43 WeakPolarHBondContact O-CD2 3.27Å; E39-F43 PolarHBondContact O-N 3.3Å
40L96.6Very high95Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-56-44.1176-67.2-175000111.9L23 T25 F36 T37 K42 F43 E44 V45 L48 V61 I66 A104L23-L40 HydrophobicContact CD2-CD2 3.97Å; T25-L40 HydrophobicContact CG2-CD2 4.26Å; F36-L40 HydrophobicContact CD1-CD1 4.03Å; F36-L40 HydrophobicContact CD1-CG 4.34Å; F36-L40 HydrophobicContact CE1-CD1 3.51Å; F36-L40 HydrophobicContact CE1-CD2 4.45Å; F36-L40 HydrophobicContact CE1-CG 4.05Å; F36-L40 HydrophobicContact CE2-CD2 4.31Å; F36-L40 HydrophobicContact CZ-CD1 3.93Å; F36-L40 HydrophobicContact CZ-CD2 4.06Å; F36-L40 HydrophobicContact CZ-CG 4.15Å; F36-L40 WeakPolarHBondContact O-CG 3.38Å; F36-L40 PolarHBondContact O-N 3.35Å; T37-L40 PolarHBondContact O-N 2.88Å; L40-K42 PolarHBondContact O-N 2.93Å; L40-F43 PolarHBondContact O-N 3.09Å; L40-E44 PolarHBondContact O-N 2.96Å; L40-V45 HydrophobicContact CB-CB 4.01Å; L40-V45 HydrophobicContact CB-CG1 4.43Å; L40-V45 HydrophobicContact CB-CG2 4.33Å; L40-V45 HydrophobicContact CD2-CB 4.37Å; L40-V45 HydrophobicContact CD2-CG1 4.29Å; L40-V45 HydrophobicContact CD2-CG2 4.1Å; L40-V45 WeakPolarHBondContact O-CB 3.45Å; L40-V45 WeakPolarHBondContact O-CG2 3.47Å; L40-V45 PolarHBondContact O-N 3.11Å; L40-L48 HydrophobicContact CD1-CD1 4.28Å; L40-L48 HydrophobicContact CD1-CD2 4.04Å; L40-L48 HydrophobicContact CD2-CD1 4.39Å; L40-V61 HydrophobicContact CD1-CG1 4.28Å; L40-I66 HydrophobicContact CB-CD1 3.65Å; L40-I66 HydrophobicContact CD1-CD1 3.96Å; L40-I66 HydrophobicContact CD1-CG2 4.48Å; L40-I66 HydrophobicContact CG-CD1 4.49Å; L40-A104 HydrophobicContact CD2-CB 3.9Å
41K95.8Very high95.3Very high97 Ų9751.7 Ų51.742%0.42226%0.26SS..Hα-helixtrans-61.9-39.1176.6-73.8-174.4176.7-167.60113.4T37 E38 E39 F43 E44 E64 I66T37-K41 WeakPolarHBondContact O-CG 3.43Å; T37-K41 PolarHBondContact O-N 3.41Å; E38-K41 PolarHBondContact O-N 3.01Å; E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 PolarHBondContact O-N 2.98Å; K41-F43 PolarHBondContact O-N 3.32Å; K41-E44 PolarHBondContact O-N 3.48Å; K41-E64 WeakPolarHBondContact CE-OE2 3.49Å; K41-E64 IonicContact NZ-OE2 2.56Å; K41-E64 PolarHBondContact NZ-OE2 3.41Å; K41-I66 HydrophobicContact CG-CD1 4.38Å
42K95.1Very high95.4Very high165 Ų16547 Ų4772%0.71722%0.221SC*.Hα-helixtrans-60.7-29.8177.5-72.4171.8-172.5176.20112.7E38 E39 L40 E44E38-K42 WeakPolarHBondContact O-CG 3.08Å; E38-K42 PolarHBondContact O-N 3.29Å; E38-K42 VanDerWaalsContact O-N 3.12Å; E39-K42 WeakPolarHBondContact O-CB 3.5Å; E39-K42 PolarHBondContact O-N 3.47Å; E39-K42 VanDerWaalsContact O-N 3.11Å; L40-K42 PolarHBondContact O-N 2.93Å; K42-E44 VanDerWaalsContact C-N 3.33Å
43F95.8Very high95.2Very high56 Ų5650.7 Ų50.725%0.24624%0.239CC..THydrogen-bonded Turntrans-92.48.1176.5-74.1-81.3000113.3E14 L23 E39 L40 K41 V45 C102E14-F43 HydrophobicContact CB-CD1 4.47Å; E14-F43 HydrophobicContact CB-CE1 4.21Å; E14-F43 HydrophobicContact CG-CD1 4.41Å; L23-F43 HydrophobicContact CD1-CB 4.39Å; L23-F43 HydrophobicContact CD1-CD1 3.81Å; L23-F43 HydrophobicContact CD1-CD2 3.95Å; L23-F43 HydrophobicContact CD1-CE1 4Å; L23-F43 HydrophobicContact CD1-CE2 4.16Å; L23-F43 HydrophobicContact CD1-CG 3.79Å; L23-F43 HydrophobicContact CD1-CZ 4.18Å; L23-F43 HydrophobicContact CD2-CB 3.89Å; L23-F43 HydrophobicContact CD2-CD2 3.77Å; L23-F43 HydrophobicContact CD2-CG 3.89Å; L23-F43 HydrophobicContact CG-CG 4.45Å; E39-F43 HydrophobicContact CG-CD2 4.29Å; E39-F43 HydrophobicContact CG-CE2 4.12Å; E39-F43 WeakPolarHBondContact O-CD2 3.27Å; E39-F43 PolarHBondContact O-N 3.3Å; L40-F43 PolarHBondContact O-N 3.09Å; K41-F43 PolarHBondContact O-N 3.32Å; F43-V45 HydrophobicContact CB-CG2 4Å; F43-V45 PolarHBondContact O-N 2.94Å; F43-C102 WeakPolarHBondContact O-CB 3.39Å
44E95.8Very high95.1Very high120 Ų12053.1 Ų53.156%0.56126%0.261SS*.THydrogen-bonded Turntrans56.438.9-178.6-54.8170.4137.500111.6R21 L40 K41 K42 D46 C102R21-E44 IonicContact CZ-OE2 2.8Å; R21-E44 IonicContact NH1-OE2 3.05Å; R21-E44 PolarHBondContact NH1-OE2 3.43Å; R21-E44 IonicContact NH2-OE2 3.63Å; L40-E44 PolarHBondContact O-N 2.96Å; K41-E44 PolarHBondContact O-N 3.48Å; K42-E44 VanDerWaalsContact C-N 3.33Å; E44-D46 PolarHBondContact O-N 3.08Å; E44-C102 PolarHBondContact O-N 2.96Å; E44-C102 VanDerWaalsContact O-N 3.11Å
45V97.3Very high95Very high9 Ų951.4 Ų51.46%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-72.7122.7176.4175.20000109.1L23 L40 F43 T47 I66 C102 A104L23-V45 HydrophobicContact CB-CG2 4.27Å; L23-V45 HydrophobicContact CD2-CG2 3.84Å; L40-V45 HydrophobicContact CB-CB 4.01Å; L40-V45 HydrophobicContact CB-CG1 4.43Å; L40-V45 HydrophobicContact CB-CG2 4.33Å; L40-V45 HydrophobicContact CD2-CB 4.37Å; L40-V45 HydrophobicContact CD2-CG1 4.29Å; L40-V45 HydrophobicContact CD2-CG2 4.1Å; L40-V45 WeakPolarHBondContact O-CB 3.45Å; L40-V45 WeakPolarHBondContact O-CG2 3.47Å; L40-V45 PolarHBondContact O-N 3.11Å; F43-V45 HydrophobicContact CB-CG2 4Å; F43-V45 PolarHBondContact O-N 2.94Å; V45-T47 WeakPolarHBondContact CG1-O 3.39Å; V45-I66 HydrophobicContact CG1-CG2 4.21Å; V45-C102 VanDerWaalsContact CA-O 3.26Å; V45-C102 WeakPolarHBondContact CA-O 3.49Å; V45-C102 HydrophobicContact CG2-CB 4.04Å; V45-A104 HydrophobicContact CB-CB 4.42Å; V45-A104 HydrophobicContact CG1-CB 3.54Å; V45-A104 HydrophobicContact CG2-CB 3.96Å
46D96Very high94.9Very high20 Ų2044.5 Ų44.511%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-101.7-23.8175.785.6-32.5000111.9E44 I66 Q67 K94 Q98 C102E44-D46 PolarHBondContact O-N 3.08Å; D46-I66 CarbonylContact O-C 3.51Å; D46-I66 WeakPolarHBondContact O-CA 3.42Å; D46-Q67 PolarHBondContact O-N 2.93Å; D46-K94 WeakPolarHBondContact OD2-CD 3.13Å; D46-K94 IonicContact OD2-NZ 3.41Å; D46-K94 PolarHBondContact OD2-NZ 3.33Å; D46-Q98 PolarHBondContact OD2-OE1 3.17Å; D46-C102 PolarHBondContact N-O 3.39Å; D46-C102 VanDerWaalsContact N-O 3.15Å
47T98.1Very high94.9Very high0 Ų048.9 Ų48.90%025%0.248CC..EExtended strand (participates in β ladder)trans-138.5128.9-173.2-47.90000110V45 Q67 L69 L90 K94 A104V45-T47 WeakPolarHBondContact CG1-O 3.39Å; T47-Q67 CarbonylContact C-O 3.54Å; T47-Q67 WeakPolarHBondContact CA-O 3.3Å; T47-Q67 HydrophobicContact CG2-CB 4.37Å; T47-L69 HydrophobicContact CG2-CD1 3.94Å; T47-L69 HydrophobicContact CG2-CG 4.43Å; T47-L90 HydrophobicContact CG2-CD1 4.3Å; T47-L90 HydrophobicContact CG2-CD2 4.09Å; T47-K94 WeakPolarHBondContact OG1-CE 3.45Å; T47-K94 PolarHBondContact OG1-NZ 3.24Å; T47-K94 VanDerWaalsContact OG1-NZ 3.09Å; T47-A104 PolarHBondContact O-N 3.22Å
48L97.9Very high94.9Very high0 Ų051.5 Ų51.50%026%0.259CS..EExtended strand (participates in β ladder)trans-115.2119.8175.9-179.468.2000110.1F36 L40 Y56 V61 I66 Q67 V68 L69 A104F36-L48 HydrophobicContact CE1-CD2 3.82Å; F36-L48 HydrophobicContact CZ-CD1 4.18Å; F36-L48 HydrophobicContact CZ-CD2 4.11Å; L40-L48 HydrophobicContact CD1-CD1 4.28Å; L40-L48 HydrophobicContact CD1-CD2 4.04Å; L40-L48 HydrophobicContact CD2-CD1 4.39Å; L48-Y56 WeakPolarHBondContact CD2-OH 3.32Å; L48-V61 HydrophobicContact CD2-CG1 4.33Å; L48-I66 HydrophobicContact CB-CG2 4.06Å; L48-Q67 PolarHBondContact N-O 3.47Å; L48-V68 HydrophobicContact CB-CG2 4.28Å; L48-V68 HydrophobicContact CD2-CG1 4.45Å; L48-V68 HydrophobicContact CD2-CG2 4.28Å; L48-V68 CarbonylContact O-C 3.55Å; L48-V68 WeakPolarHBondContact O-CA 3.34Å; L48-L69 PolarHBondContact O-N 2.88Å; L48-A104 CarbonylContact C-O 3.38Å; L48-A104 WeakPolarHBondContact CA-O 3.23Å; L48-A104 HydrophobicContact CD1-CB 3.49Å; L48-A104 VanDerWaalsContact CD1-CB 3.49Å
49V97.9Very high94.9Very high0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-102.5121.7175.4-175.80000110.2V51 L69 W71 W87 L90 V103 A104 V105 H106V49-V51 HydrophobicContact CG1-CG1 3.96Å; V49-L69 HydrophobicContact CG2-CB 4.4Å; V49-L69 HydrophobicContact CG2-CD1 4.42Å; V49-W71 HydrophobicContact CG1-CD2 4.02Å; V49-W71 HydrophobicContact CG1-CE3 3.39Å; V49-W71 HydrophobicContact CG1-CZ3 3.91Å; V49-W71 HydrophobicContact CG2-CE3 4.45Å; V49-W71 HydrophobicContact CG2-CZ3 4.16Å; V49-W87 HydrophobicContact CG2-CE3 4.31Å; V49-W87 HydrophobicContact CG2-CZ3 3.9Å; V49-L90 HydrophobicContact CG2-CD2 3.92Å; V49-V103 HydrophobicContact CG2-CG1 4.34Å; V49-A104 PolarHBondContact N-O 3.31Å; V49-V105 HydrophobicContact CB-CG1 4.37Å; V49-V105 HydrophobicContact CB-CG2 4.37Å; V49-V105 WeakPolarHBondContact O-CA 3.41Å; V49-H106 PolarHBondContact O-N 3.34Å
50R96.5Very high94.9Very high9 Ų947.2 Ų47.23%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-97.3115.3175.4-44.9-160.3-74.5-173.4-4.4108.6Y56 V68 L69 D70 W71 H106R50-Y56 PolarHBondContact NH1-O 3.46Å; R50-V68 HydrophobicContact CG-CG1 3.87Å; R50-L69 PolarHBondContact N-O 3.21Å; R50-D70 IonicContact CZ-OD1 2.77Å; R50-D70 IonicContact CZ-OD2 2.83Å; R50-D70 IonicContact NE-OD1 3.76Å; R50-D70 PolarHBondContact NE-OD1 2.92Å; R50-D70 IonicContact NE-OD2 3.25Å; R50-D70 IonicContact NH2-OD1 2.63Å; R50-D70 PolarHBondContact NH2-OD1 3.42Å; R50-D70 IonicContact NH2-OD2 3.85Å; R50-D70 PolarHBondContact NH2-OD2 2.93Å; R50-W71 CarbonylContact O-C 3.51Å; R50-W71 PolarHBondContact O-N 3.02Å; R50-H106 WeakPolarHBondContact CD-NE2 3.21Å; R50-H106 WeakPolarHBondContact CG-NE2 3.46Å
51V94.7Very high94.9Very high0 Ų047.2 Ų47.20%025%0.248CC..  trans-105.411.7-178.5-59.90000113.7V49 W71 F73 V105 H106 C107 R113 A114 L117V49-V51 HydrophobicContact CG1-CG1 3.96Å; V51-W71 WeakPolarHBondContact CA-O 3.48Å; V51-F73 HydrophobicContact CB-CD1 4.16Å; V51-F73 HydrophobicContact CB-CE1 3.68Å; V51-F73 HydrophobicContact CG1-CE1 3.95Å; V51-F73 HydrophobicContact CG2-CE1 4.38Å; V51-F73 PolarHBondContact O-N 3.07Å; V51-V105 HydrophobicContact CG1-CG1 3.93Å; V51-V105 HydrophobicContact CG2-CG1 4.33Å; V51-H106 VanDerWaalsContact CG2-O 3.24Å; V51-H106 WeakPolarHBondContact CG2-O 3.11Å; V51-H106 PolarHBondContact N-O 3.16Å; V51-C107 HydrophobicContact CG2-CB 3.84Å; V51-R113 HydrophobicContact CB-CB 4.38Å; V51-R113 HydrophobicContact CG2-CB 3.61Å; V51-R113 PolarHBondContact O-NH1 2.84Å; V51-A114 HydrophobicContact CG2-CB 4.22Å; V51-L117 HydrophobicContact CG1-CD1 3.52Å; V51-L117 HydrophobicContact CG1-CG 4.45Å
52C92.1Very high95Very high3 Ų346.2 Ų46.22%0.0225%0.245CC..SBendtrans-127.6171168.563.40000109.6A54 C107 V108C52-A54 PolarHBondContact O-N 2.98Å; C52-C107 PolarHBondContact SG-O 2.91Å; C52-V108 HydrophobicContact CB-CG2 4.19Å
53D88.9Confident95.1Very high119 Ų11946.6 Ų46.664%0.63625%0.247SC*.  trans-53.9138.9175.2-56.1-46.5000111.1T55D53-T55 PolarHBondContact O-N 3.09Å
54A90.7Very high95.1Very high61 Ų6148.7 Ų48.750%0.50426%0.257SS..  trans-68.1125.5-178.800000110.4C52C52-A54 PolarHBondContact O-N 2.98Å
55T91.8Very high95.1Very high82 Ų8246.1 Ų46.150%0.50326%0.263SS..  trans-113.51.8177.866.10000113.3N27 D53N27-T55 PolarHBondContact ND2-OG1 3.17Å; N27-T55 PolarHBondContact OD1-OG1 3.01Å; D53-T55 PolarHBondContact O-N 3.09Å
56Y92.8Very high95.1Very high12 Ų1245.9 Ų45.95%0.04726%0.261CS..SBendtrans-150155.1-179.566.6-86.4000110N27 P28 N30 L33 L48 R50 V61 H106N27-Y56 WeakPolarHBondContact OD1-CE1 3.31Å; P28-Y56 HydrophobicContact CG-CD1 3.74Å; P28-Y56 HydrophobicContact CG-CD2 4.38Å; P28-Y56 HydrophobicContact CG-CE1 3.38Å; P28-Y56 HydrophobicContact CG-CE2 4.09Å; P28-Y56 HydrophobicContact CG-CG 4.23Å; N30-Y56 VanDerWaalsContact OD1-CB 3.29Å; N30-Y56 WeakPolarHBondContact OD1-CB 3.31Å; L33-Y56 HydrophobicContact CD1-CD2 3.5Å; L33-Y56 VanDerWaalsContact CD1-CD2 3.5Å; L33-Y56 HydrophobicContact CD1-CE2 3.62Å; L33-Y56 HydrophobicContact CD1-CG 4.29Å; L33-Y56 HydrophobicContact CD2-CD2 4.13Å; L33-Y56 HydrophobicContact CG-CD2 4.48Å; L48-Y56 WeakPolarHBondContact CD2-OH 3.32Å; R50-Y56 PolarHBondContact NH1-O 3.46Å; Y56-V61 HydrophobicContact CE2-CG2 4.29Å; Y56-H106 AromaticContact CE1-CE1 3.81Å; Y56-H106 AromaticContact CE1-NE2 3.85Å; Y56-H106 AromaticContact CZ-NE2 3.9Å; Y56-H106 PolarHBondContact OH-NE2 2.83Å; Y56-H106 VanDerWaalsContact OH-NE2 3.08Å
57D93.6Very high95.2Very high97 Ų9749 Ų4952%0.51928%0.275SS..  trans-71.3132.8176.1-178.517.4000110.5A59 P60D57-A59 PolarHBondContact OD1-N 2.77Å; D57-A59 WeakPolarHBondContact OD2-CB 3.41Å; D57-P60 WeakPolarHBondContact O-CD 3.43Å
58K95.3Very high95.2Very high63 Ų6349.1 Ų49.127%0.27428%0.276SS..SBendtrans-81.7-18.8179.462.5179.4-167.3165.50113.1P60 V61 E62 V68K58-P60 VanDerWaalsContact C-CD 3.46Å; K58-P60 VanDerWaalsContact C-N 3.34Å; K58-V61 WeakPolarHBondContact O-CA 3.31Å; K58-V61 WeakPolarHBondContact O-CB 3.49Å; K58-V61 PolarHBondContact O-N 2.87Å; K58-E62 WeakPolarHBondContact CD-OE1 3.5Å; K58-E62 VanDerWaalsContact CE-OE1 3.24Å; K58-E62 WeakPolarHBondContact CE-OE1 3.45Å; K58-E62 IonicContact NZ-OE1 3.02Å; K58-E62 PolarHBondContact NZ-OE1 3.17Å; K58-E62 PolarHBondContact O-N 3.42Å; K58-V68 HydrophobicContact CB-CB 3.86Å; K58-V68 HydrophobicContact CB-CG1 3.78Å; K58-V68 HydrophobicContact CB-CG2 4.07Å; K58-V68 HydrophobicContact CD-CB 4.04Å; K58-V68 HydrophobicContact CD-CG1 4.11Å; K58-V68 PolarHBondContact NZ-O 3.39Å
59A95.9Very high95.2Very high33 Ų3350.7 Ų50.727%0.27328%0.284SS..Hα-helixtrans-55.1-39.2-175.900000114.2D57 V61 E62 K63D57-A59 PolarHBondContact OD1-N 2.77Å; D57-A59 WeakPolarHBondContact OD2-CB 3.41Å; A59-V61 VanDerWaalsContact C-N 3.3Å; A59-V61 PolarHBondContact O-N 2.78Å; A59-E62 PolarHBondContact O-N 3.15Å; A59-K63 WeakPolarHBondContact O-CB 3.44Å; A59-K63 VanDerWaalsContact O-CG 3.25Å; A59-K63 WeakPolarHBondContact O-CG 3.14Å; A59-K63 PolarHBondContact O-N 2.92Å
60P95.3Very high95.1Very high46 Ų4653.6 Ų53.630%0.29930%0.3SS..Hα-helixtrans-64.8-30.5175.2-23.435.9000113.9L33 D57 K58 E64L33-P60 HydrophobicContact CD2-CB 3.88Å; L33-P60 HydrophobicContact CD2-CG 3.85Å; D57-P60 WeakPolarHBondContact O-CD 3.43Å; K58-P60 VanDerWaalsContact C-CD 3.46Å; K58-P60 VanDerWaalsContact C-N 3.34Å; P60-E64 WeakPolarHBondContact O-CG 3.45Å
61V96.8Very high95.1Very high0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-77.7-42.5176.6179.10000109.9L33 L40 L48 Y56 K58 A59 K63 E64 I66 V68L33-V61 HydrophobicContact CD1-CG2 3.82Å; L33-V61 HydrophobicContact CG-CG2 4.38Å; L40-V61 HydrophobicContact CD1-CG1 4.28Å; L48-V61 HydrophobicContact CD2-CG1 4.33Å; Y56-V61 HydrophobicContact CE2-CG2 4.29Å; K58-V61 WeakPolarHBondContact O-CA 3.31Å; K58-V61 WeakPolarHBondContact O-CB 3.49Å; K58-V61 PolarHBondContact O-N 2.87Å; A59-V61 VanDerWaalsContact C-N 3.3Å; A59-V61 PolarHBondContact O-N 2.78Å; V61-K63 VanDerWaalsContact C-N 3.35Å; V61-K63 PolarHBondContact O-N 3.17Å; V61-E64 WeakPolarHBondContact O-CB 3.31Å; V61-E64 PolarHBondContact O-N 3.25Å; V61-E64 VanDerWaalsContact O-N 3.12Å; V61-I66 HydrophobicContact CG1-CB 3.74Å; V61-I66 HydrophobicContact CG1-CD1 4.29Å; V61-I66 HydrophobicContact CG1-CG2 3.84Å; V61-I66 PolarHBondContact O-N 3.11Å; V61-V68 HydrophobicContact CB-CG2 3.93Å; V61-V68 HydrophobicContact CG1-CG2 3.62Å
62E97.4Very high95.1Very high75 Ų7558 Ų5835%0.3532%0.324SS..Hα-helixtrans-64.7-35.9177.8-68.9178.9152.200112.6K58 A59 E64 G65 I66 V68K58-E62 WeakPolarHBondContact CD-OE1 3.5Å; K58-E62 VanDerWaalsContact CE-OE1 3.24Å; K58-E62 WeakPolarHBondContact CE-OE1 3.45Å; K58-E62 IonicContact NZ-OE1 3.02Å; K58-E62 PolarHBondContact NZ-OE1 3.17Å; K58-E62 PolarHBondContact O-N 3.42Å; A59-E62 PolarHBondContact O-N 3.15Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-E64 VanDerWaalsContact O-N 3.16Å; E62-G65 PolarHBondContact O-N 3.19Å; E62-I66 VanDerWaalsContact CA-O 3.31Å; E62-I66 WeakPolarHBondContact CA-O 3.22Å; E62-V68 HydrophobicContact CG-CB 4.15Å; E62-V68 HydrophobicContact CG-CG2 3.87Å
63K96.6Very high95.2Very high174 Ų17458.4 Ų58.476%0.75733%0.326SS*.THydrogen-bonded Turntrans-58.4-25.8173.4-81.6176.9-177-176.50113.6A59 V61 G65A59-K63 WeakPolarHBondContact O-CB 3.44Å; A59-K63 VanDerWaalsContact O-CG 3.25Å; A59-K63 WeakPolarHBondContact O-CG 3.14Å; A59-K63 PolarHBondContact O-N 2.92Å; V61-K63 VanDerWaalsContact C-N 3.35Å; V61-K63 PolarHBondContact O-N 3.17Å; K63-G65 VanDerWaalsContact C-N 3.27Å
64E96.3Very high95.3Very high100 Ų10059 Ų5947%0.46733%0.328SS..THydrogen-bonded Turntrans-9110.5-180-63.8-57.8153.300113T37 K41 P60 V61 E62T37-E64 HydrophobicContact CG2-CB 3.76Å; T37-E64 HydrophobicContact CG2-CG 3.67Å; K41-E64 WeakPolarHBondContact CE-OE2 3.49Å; K41-E64 IonicContact NZ-OE2 2.56Å; K41-E64 PolarHBondContact NZ-OE2 3.41Å; P60-E64 WeakPolarHBondContact O-CG 3.45Å; V61-E64 WeakPolarHBondContact O-CB 3.31Å; V61-E64 PolarHBondContact O-N 3.25Å; V61-E64 VanDerWaalsContact O-N 3.12Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-E64 VanDerWaalsContact O-N 3.16Å
65G95.8Very high95Very high65 Ų6561.8 Ų61.867%0.6734%0.335SS*.THydrogen-bonded Turntrans86.58.9176.800000114.6E62 K63E62-G65 PolarHBondContact O-N 3.19Å; K63-G65 VanDerWaalsContact C-N 3.27Å
66I97.6Very high94.6Very high4 Ų458.4 Ų58.42%0.02132%0.317CS..  trans-98.8114.9-179.2-55.5178.5000109.3T37 L40 K41 V45 D46 L48 V61 E62 V68T37-I66 HydrophobicContact CG2-CD1 4.27Å; L40-I66 HydrophobicContact CB-CD1 3.65Å; L40-I66 HydrophobicContact CD1-CD1 3.96Å; L40-I66 HydrophobicContact CD1-CG2 4.48Å; L40-I66 HydrophobicContact CG-CD1 4.49Å; K41-I66 HydrophobicContact CG-CD1 4.38Å; V45-I66 HydrophobicContact CG1-CG2 4.21Å; D46-I66 CarbonylContact O-C 3.51Å; D46-I66 WeakPolarHBondContact O-CA 3.42Å; L48-I66 HydrophobicContact CB-CG2 4.06Å; V61-I66 HydrophobicContact CG1-CB 3.74Å; V61-I66 HydrophobicContact CG1-CD1 4.29Å; V61-I66 HydrophobicContact CG1-CG2 3.84Å; V61-I66 PolarHBondContact O-N 3.11Å; E62-I66 VanDerWaalsContact CA-O 3.31Å; E62-I66 WeakPolarHBondContact CA-O 3.22Å; I66-V68 PolarHBondContact O-N 3.01Å
67Q97.7Very high94.4Very high87 Ų8759.1 Ų59.141%0.40733%0.325SS..EExtended strand (participates in β ladder)trans-67.9129.1177.1-178.1178.123.600110.5D46 T47 L48 L69D46-Q67 PolarHBondContact O-N 2.93Å; T47-Q67 CarbonylContact C-O 3.54Å; T47-Q67 WeakPolarHBondContact CA-O 3.3Å; T47-Q67 HydrophobicContact CG2-CB 4.37Å; L48-Q67 PolarHBondContact N-O 3.47Å; Q67-L69 HydrophobicContact CG-CD2 4.32Å; Q67-L69 HydrophobicContact CG-CG 4.39Å
68V97.8Very high94.3Very high2 Ų257.3 Ų57.31%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-112.4123178.5-175.50000111.2L48 R50 K58 V61 E62 I66L48-V68 HydrophobicContact CB-CG2 4.28Å; L48-V68 HydrophobicContact CD2-CG1 4.45Å; L48-V68 HydrophobicContact CD2-CG2 4.28Å; L48-V68 CarbonylContact O-C 3.55Å; L48-V68 WeakPolarHBondContact O-CA 3.34Å; R50-V68 HydrophobicContact CG-CG1 3.87Å; K58-V68 HydrophobicContact CB-CB 3.86Å; K58-V68 HydrophobicContact CB-CG1 3.78Å; K58-V68 HydrophobicContact CB-CG2 4.07Å; K58-V68 HydrophobicContact CD-CB 4.04Å; K58-V68 HydrophobicContact CD-CG1 4.11Å; K58-V68 PolarHBondContact NZ-O 3.39Å; V61-V68 HydrophobicContact CB-CG2 3.93Å; V61-V68 HydrophobicContact CG1-CG2 3.62Å; E62-V68 HydrophobicContact CG-CB 4.15Å; E62-V68 HydrophobicContact CG-CG2 3.87Å; I66-V68 PolarHBondContact O-N 3.01Å
69L97.8Very high94.3Very high33 Ų3354.6 Ų54.617%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-114.1136.9-178.9-60.7173.6000110.9T47 L48 V49 R50 Q67 W71 L90T47-L69 HydrophobicContact CG2-CD1 3.94Å; T47-L69 HydrophobicContact CG2-CG 4.43Å; L48-L69 PolarHBondContact O-N 2.88Å; V49-L69 HydrophobicContact CG2-CB 4.4Å; V49-L69 HydrophobicContact CG2-CD1 4.42Å; R50-L69 PolarHBondContact N-O 3.21Å; Q67-L69 HydrophobicContact CG-CD2 4.32Å; Q67-L69 HydrophobicContact CG-CG 4.39Å; L69-W71 HydrophobicContact CB-CZ2 4.28Å; L69-W71 HydrophobicContact CD1-CH2 3.95Å; L69-W71 HydrophobicContact CD1-CZ2 3.7Å; L69-W71 HydrophobicContact CG-CZ2 4.48Å; L69-L90 HydrophobicContact CD1-CD1 3.93Å; L69-L90 HydrophobicContact CD1-CD2 3.72Å; L69-L90 HydrophobicContact CD1-CG 4.42Å
70D96.9Very high94.3Very high61 Ų6156.1 Ų56.133%0.32632%0.315SS..EExtended strand (participates in β ladder)trans-111.6102.2-175.4-75.3-57.8000111.1R50 P72R50-D70 IonicContact CZ-OD1 2.77Å; R50-D70 IonicContact CZ-OD2 2.83Å; R50-D70 IonicContact NE-OD1 3.76Å; R50-D70 PolarHBondContact NE-OD1 2.92Å; R50-D70 IonicContact NE-OD2 3.25Å; R50-D70 IonicContact NH2-OD1 2.63Å; R50-D70 PolarHBondContact NH2-OD1 3.42Å; R50-D70 IonicContact NH2-OD2 3.85Å; R50-D70 PolarHBondContact NH2-OD2 2.93Å; D70-P72 VanDerWaalsContact C-CD 3.42Å
71W96.4Very high94.3Very high40 Ų4059 Ų5915%0.15233%0.332CS..  trans-128.262.6-179.6-58.9-28.3000111.4V49 R50 V51 L69 I83 D86 W87 L90V49-W71 HydrophobicContact CG1-CD2 4.02Å; V49-W71 HydrophobicContact CG1-CE3 3.39Å; V49-W71 HydrophobicContact CG1-CZ3 3.91Å; V49-W71 HydrophobicContact CG2-CE3 4.45Å; V49-W71 HydrophobicContact CG2-CZ3 4.16Å; R50-W71 CarbonylContact O-C 3.51Å; R50-W71 PolarHBondContact O-N 3.02Å; V51-W71 WeakPolarHBondContact CA-O 3.48Å; L69-W71 HydrophobicContact CB-CZ2 4.28Å; L69-W71 HydrophobicContact CD1-CH2 3.95Å; L69-W71 HydrophobicContact CD1-CZ2 3.7Å; L69-W71 HydrophobicContact CG-CZ2 4.48Å; W71-I83 HydrophobicContact CB-CD1 4.06Å; W71-I83 HydrophobicContact CB-CG1 4.12Å; W71-I83 HydrophobicContact CB-CG2 4.19Å; W71-D86 HydrophobicContact CH2-CB 4.17Å; W71-D86 HydrophobicContact CZ2-CB 3.97Å; W71-W87 HydrophobicContact CZ3-CB 3.91Å; W71-W87 AromaticContact CZ3-CE3 3.93Å; W71-W87 HydrophobicContact CZ3-CE3 3.93Å; W71-L90 HydrophobicContact CH2-CB 4.03Å; W71-L90 HydrophobicContact CH2-CD2 3.72Å; W71-L90 HydrophobicContact CH2-CG 4.46Å; W71-L90 HydrophobicContact CZ3-CD2 4.19Å
72P94.9Very high94.3Very high61 Ų6166 Ų6640%0.39636%0.364SS..  trans-65141.7-179.929.3-35.3000111.2D70D70-P72 VanDerWaalsContact C-CD 3.42Å
73F93.9Very high94.3Very high12 Ų1263.2 Ų63.25%0.05335%0.352CS..  trans-146.3163.1167.261.6-88.2000110.9V51 P79 P80 I83 R113V51-F73 HydrophobicContact CB-CD1 4.16Å; V51-F73 HydrophobicContact CB-CE1 3.68Å; V51-F73 HydrophobicContact CG1-CE1 3.95Å; V51-F73 HydrophobicContact CG2-CE1 4.38Å; V51-F73 PolarHBondContact O-N 3.07Å; F73-P79 HydrophobicContact CD1-CB 4.42Å; F73-P79 HydrophobicContact CD2-CB 4.39Å; F73-P79 HydrophobicContact CE1-CB 4.14Å; F73-P79 HydrophobicContact CE2-CB 4.11Å; F73-P79 HydrophobicContact CZ-CB 3.98Å; F73-P80 HydrophobicContact CB-CG 4.12Å; F73-I83 HydrophobicContact CB-CD1 4.07Å; F73-I83 HydrophobicContact CD1-CD1 4.09Å; F73-I83 HydrophobicContact CD1-CG2 4.46Å; F73-R113 HydrophobicContact CD2-CG 4.1Å; F73-R113 HydrophobicContact CE1-CB 4.14Å; F73-R113 HydrophobicContact CE2-CB 3.78Å; F73-R113 HydrophobicContact CE2-CG 3.51Å; F73-R113 HydrophobicContact CZ-CB 3.47Å; F73-R113 VanDerWaalsContact CZ-CB 3.47Å; F73-R113 HydrophobicContact CZ-CG 3.79Å; F73-R113 WeakPolarHBondContact O-CD 3.47Å; F73-R113 PolarHBondContact O-NH1 2.82Å
74D89.8Confident94.4Very high130 Ų13055.2 Ų55.270%0.69532%0.317SS*.  trans-58.7141.1-171.1-70.4-13.8000113.5G76 A77D74-G76 PolarHBondContact O-N 3.38Å; D74-A77 HydrophobicContact CB-CB 3.75Å; D74-A77 WeakPolarHBondContact O-CB 3.42Å; D74-A77 PolarHBondContact O-N 3.06Å
75D85.3Confident94.4Very high120 Ų12053 Ų5364%0.64231%0.309SS*.THydrogen-bonded Turntrans-67.6134.5-179.1-161.535.5000112.2A77 R113D75-A77 PolarHBondContact O-N 2.86Å; D75-A77 VanDerWaalsContact O-N 3.07Å; D75-R113 IonicContact OD1-CZ 2.82Å; D75-R113 IonicContact OD1-NE 3.78Å; D75-R113 PolarHBondContact OD1-NE 2.85Å; D75-R113 IonicContact OD1-NH2 2.9Å
76G83.5Confident94.5Very high12 Ų1252.7 Ų52.712%0.12429%0.292CS..THydrogen-bonded Turntrans64.84.1-176.300000116.1D74 N145D74-G76 PolarHBondContact O-N 3.38Å; G76-N145 WeakPolarHBondContact CA-ND2 3.29Å; G76-N145 PolarHBondContact O-ND2 3.43Å
77A88.8Confident94.5Very high26 Ų2652.5 Ų52.522%0.21529%0.291CS..SBendtrans-86.1158.9168.900000111D74 D75D74-A77 HydrophobicContact CB-CB 3.75Å; D74-A77 WeakPolarHBondContact O-CB 3.42Å; D74-A77 PolarHBondContact O-N 3.06Å; D75-A77 PolarHBondContact O-N 2.86Å; D75-A77 VanDerWaalsContact O-N 3.07Å
78P91.3Very high94.5Very high59 Ų5948.5 Ų48.538%0.38327%0.272SS..PPolyproline II helixtrans-66.5151.2164.530.1-35000110.9Y151P78-Y151 HydrophobicContact CB-CD1 3.99Å; P78-Y151 HydrophobicContact CB-CD2 3.45Å; P78-Y151 VanDerWaalsContact CB-CD2 3.45Å; P78-Y151 HydrophobicContact CB-CE1 4.39Å; P78-Y151 HydrophobicContact CB-CE2 3.89Å; P78-Y151 HydrophobicContact CB-CG 3.51Å; P78-Y151 HydrophobicContact CG-CD2 4.35Å
79P94.9Very high94.4Very high7 Ų755.4 Ų55.45%0.04530%0.302CS..PPolyproline II helixtrans-65140.7175.427.6-34.6000110.9F73 I83 V84 V116 L117 L120 Y151F73-P79 HydrophobicContact CD1-CB 4.42Å; F73-P79 HydrophobicContact CD2-CB 4.39Å; F73-P79 HydrophobicContact CE1-CB 4.14Å; F73-P79 HydrophobicContact CE2-CB 4.11Å; F73-P79 HydrophobicContact CZ-CB 3.98Å; P79-I83 HydrophobicContact CB-CG2 4.38Å; P79-V84 HydrophobicContact CB-CG2 3.95Å; P79-V84 HydrophobicContact CG-CG2 3.66Å; P79-V116 HydrophobicContact CG-CG1 4.01Å; P79-L117 HydrophobicContact CB-CD2 4.08Å; P79-L117 HydrophobicContact CG-CD2 4.23Å; P79-L120 HydrophobicContact CG-CD1 3.84Å; P79-Y151 HydrophobicContact CG-CE1 4.01Å
80P96.3Very high94.4Very high65 Ų6554.9 Ų54.942%0.42230%0.299SS..PPolyproline II helixtrans-56.3146.6169.6-24.932.6000112.4F73 Q82 I83 V84F73-P80 HydrophobicContact CB-CG 4.12Å; P80-Q82 PolarHBondContact O-N 3.25Å; P80-Q82 VanDerWaalsContact O-N 3.17Å; P80-I83 HydrophobicContact CG-CD1 4.11Å; P80-I83 PolarHBondContact O-N 2.88Å; P80-V84 PolarHBondContact O-N 3.36Å; P80-V84 VanDerWaalsContact O-N 3.11Å
81T95.3Very high94.3Very high107 Ų10752 Ų5266%0.65628%0.283SS*.Hα-helixtrans-52.9-40.8-178.7-520000113I83 V84 D85T81-I83 PolarHBondContact O-N 3.38Å; T81-V84 WeakPolarHBondContact O-CB 3.41Å; T81-V84 PolarHBondContact O-N 3.2Å; T81-D85 PolarHBondContact O-N 3.49Å
82Q96.6Very high94.2Very high145 Ų14552.2 Ų52.268%0.67829%0.288SS*.Hα-helixtrans-61.2-44.2178.3-176.2171.6-0.400112.1P80 V84 D85 D86P80-Q82 PolarHBondContact O-N 3.25Å; P80-Q82 VanDerWaalsContact O-N 3.17Å; Q82-V84 VanDerWaalsContact C-N 3.29Å; Q82-V84 PolarHBondContact O-N 3.35Å; Q82-D85 PolarHBondContact O-N 3.16Å; Q82-D86 WeakPolarHBondContact O-CB 3.43Å; Q82-D86 PolarHBondContact O-N 3.18Å
83I97.1Very high94.1Very high18 Ų1851.9 Ų51.99%0.09229%0.285CS..Hα-helixtrans-63.4-38.2176.6-70.8177.6000110.7W71 F73 P79 P80 T81 W87 L117W71-I83 HydrophobicContact CB-CD1 4.06Å; W71-I83 HydrophobicContact CB-CG1 4.12Å; W71-I83 HydrophobicContact CB-CG2 4.19Å; F73-I83 HydrophobicContact CB-CD1 4.07Å; F73-I83 HydrophobicContact CD1-CD1 4.09Å; F73-I83 HydrophobicContact CD1-CG2 4.46Å; P79-I83 HydrophobicContact CB-CG2 4.38Å; P80-I83 HydrophobicContact CG-CD1 4.11Å; P80-I83 PolarHBondContact O-N 2.88Å; T81-I83 PolarHBondContact O-N 3.38Å; I83-W87 WeakPolarHBondContact O-CB 3.37Å; I83-W87 PolarHBondContact O-N 3.48Å; I83-L117 HydrophobicContact CG2-CD2 4.23Å
84V97.4Very high94.1Very high5 Ų552.5 Ų52.53%0.0329%0.288CS..Hα-helixtrans-63.4-45.2175.3177.90000111P79 P80 T81 Q82 L88 L120 Y155P79-V84 HydrophobicContact CB-CG2 3.95Å; P79-V84 HydrophobicContact CG-CG2 3.66Å; P80-V84 PolarHBondContact O-N 3.36Å; P80-V84 VanDerWaalsContact O-N 3.11Å; T81-V84 WeakPolarHBondContact O-CB 3.41Å; T81-V84 PolarHBondContact O-N 3.2Å; Q82-V84 VanDerWaalsContact C-N 3.29Å; Q82-V84 PolarHBondContact O-N 3.35Å; V84-L88 HydrophobicContact CG1-CD1 3.86Å; V84-L88 HydrophobicContact CG1-CG 4.5Å; V84-L88 VanDerWaalsContact O-CG 3.22Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.1Å; V84-L120 HydrophobicContact CG1-CD1 4.16Å; V84-L120 HydrophobicContact CG2-CD1 3.81Å; V84-Y155 HydrophobicContact CG1-CE2 4.37Å
85D97.1Very high94.3Very high54 Ų5446.6 Ų46.629%0.28926%0.255SS..Hα-helixtrans-68.4-42.2-179.5-76-31.4000112.4T81 Q82 L88 K89 R160T81-D85 PolarHBondContact O-N 3.49Å; Q82-D85 PolarHBondContact O-N 3.16Å; D85-L88 PolarHBondContact O-N 3.32Å; D85-K89 VanDerWaalsContact O-CB 3.31Å; D85-K89 WeakPolarHBondContact O-CB 3.37Å; D85-K89 PolarHBondContact O-N 3.14Å; D85-R160 IonicContact OD1-CZ 3.33Å; D85-R160 IonicContact OD1-NH1 3.48Å; D85-R160 PolarHBondContact OD1-NH1 2.96Å; D85-R160 IonicContact OD1-NH2 2.94Å; D85-R160 PolarHBondContact OD1-NH2 3.12Å
86D97.9Very high94.5Very high59 Ų5948.1 Ų48.132%0.31625%0.252SS..Hα-helixtrans-64.7-40.7176.1-71.9-26.6000111.7W71 Q82 K89 L90W71-D86 HydrophobicContact CH2-CB 4.17Å; W71-D86 HydrophobicContact CZ2-CB 3.97Å; Q82-D86 WeakPolarHBondContact O-CB 3.43Å; Q82-D86 PolarHBondContact O-N 3.18Å; D86-K89 PolarHBondContact O-N 2.94Å; D86-L90 WeakPolarHBondContact O-CB 3.47Å; D86-L90 PolarHBondContact O-N 3.4Å
87W98Very high94.8Very high0 Ų054.2 Ų54.20%028%0.278CS..Hα-helixtrans-59.5-52173.7171.5-118.6000111.9F22 V49 W71 I83 K89 L90 L91 V103 V105 L117 A121F22-W87 AromaticContact CD1-CH2 3.87Å; F22-W87 HydrophobicContact CD1-CH2 3.87Å; F22-W87 AromaticContact CD1-CZ2 3.97Å; F22-W87 HydrophobicContact CD1-CZ2 3.97Å; F22-W87 AromaticContact CE1-CH2 3.79Å; F22-W87 HydrophobicContact CE1-CH2 3.79Å; F22-W87 AromaticContact CE1-CZ2 3.61Å; F22-W87 HydrophobicContact CE1-CZ2 3.61Å; F22-W87 HydrophobicContact CZ-CZ2 4.46Å; V49-W87 HydrophobicContact CG2-CE3 4.31Å; V49-W87 HydrophobicContact CG2-CZ3 3.9Å; W71-W87 HydrophobicContact CZ3-CB 3.91Å; W71-W87 AromaticContact CZ3-CE3 3.93Å; W71-W87 HydrophobicContact CZ3-CE3 3.93Å; I83-W87 WeakPolarHBondContact O-CB 3.37Å; I83-W87 PolarHBondContact O-N 3.48Å; W87-K89 VanDerWaalsContact C-N 3.29Å; W87-K89 PolarHBondContact O-N 3.37Å; W87-L90 HydrophobicContact CE3-CD2 4.12Å; W87-L90 HydrophobicContact CZ3-CD2 4.24Å; W87-L90 WeakPolarHBondContact O-CB 3.14Å; W87-L90 PolarHBondContact O-N 3.38Å; W87-L91 HydrophobicContact CD2-CD1 4.06Å; W87-L91 HydrophobicContact CD2-CD2 4.31Å; W87-L91 HydrophobicContact CD2-CG 4.01Å; W87-L91 VanDerWaalsContact CE2-CD1 3.46Å; W87-L91 HydrophobicContact CE3-CD2 4.01Å; W87-L91 HydrophobicContact CE3-CG 4.17Å; W87-L91 HydrophobicContact CH2-CD1 4.24Å; W87-L91 HydrophobicContact CH2-CD2 3.66Å; W87-L91 HydrophobicContact CH2-CG 4.27Å; W87-L91 HydrophobicContact CZ2-CD1 3.59Å; W87-L91 HydrophobicContact CZ2-CD2 3.92Å; W87-L91 HydrophobicContact CZ2-CG 4.06Å; W87-L91 HydrophobicContact CZ3-CD2 3.71Å; W87-L91 HydrophobicContact CZ3-CG 4.32Å; W87-L91 WeakPolarHBondContact O-CG 3.38Å; W87-L91 PolarHBondContact O-N 3.35Å; W87-V103 HydrophobicContact CH2-CG1 3.79Å; W87-V103 HydrophobicContact CZ3-CG1 3.58Å; W87-V105 HydrophobicContact CH2-CG2 3.41Å; W87-V105 VanDerWaalsContact CH2-CG2 3.41Å; W87-V105 HydrophobicContact CZ2-CG2 4.25Å; W87-V105 HydrophobicContact CZ3-CG2 3.83Å; W87-L117 HydrophobicContact CD2-CB 4.27Å; W87-L117 HydrophobicContact CD2-CD1 4.34Å; W87-L117 HydrophobicContact CG-CB 4.45Å; W87-L117 HydrophobicContact CG-CD1 4.45Å; W87-L117 HydrophobicContact CG-CD2 4.47Å; W87-L117 HydrophobicContact CZ2-CB 4.17Å; W87-L117 PolarHBondContact NE1-O 3.35Å; W87-A121 HydrophobicContact CZ2-CB 4.47Å
88L96.9Very high94.8Very high3 Ų357.5 Ų57.52%0.01629%0.288CS..Hα-helixtrans-67.2-33.4-177.8-65172.4000112V84 D85 N92 E124 R160 L161V84-L88 HydrophobicContact CG1-CD1 3.86Å; V84-L88 HydrophobicContact CG1-CG 4.5Å; V84-L88 VanDerWaalsContact O-CG 3.22Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.1Å; D85-L88 PolarHBondContact O-N 3.32Å; L88-N92 VanDerWaalsContact O-CB 3.3Å; L88-N92 WeakPolarHBondContact O-CB 3.24Å; L88-N92 PolarHBondContact O-N 3.48Å; L88-E124 HydrophobicContact CD1-CG 3.77Å; L88-E124 HydrophobicContact CD2-CB 4.01Å; L88-E124 HydrophobicContact CD2-CG 3.69Å; L88-E124 HydrophobicContact CG-CG 4.39Å; L88-R160 VanDerWaalsContact CD1-CZ 3.46Å; L88-L161 HydrophobicContact CD2-CD1 3.62Å; L88-L161 HydrophobicContact CD2-CG 4.25Å
89K96.6Very high94.6Very high146 Ų14660 Ų6064%0.63531%0.305SS*.Hα-helixtrans-63.9-48.1171.8-174.2-178.8179.1-176.50111.3D85 D86 W87 L91 N92 T93D85-K89 VanDerWaalsContact O-CB 3.31Å; D85-K89 WeakPolarHBondContact O-CB 3.37Å; D85-K89 PolarHBondContact O-N 3.14Å; D86-K89 PolarHBondContact O-N 2.94Å; W87-K89 VanDerWaalsContact C-N 3.29Å; W87-K89 PolarHBondContact O-N 3.37Å; K89-L91 PolarHBondContact O-N 2.87Å; K89-N92 PolarHBondContact O-N 3.44Å; K89-T93 PolarHBondContact O-N 2.8Å; K89-T93 PolarHBondContact O-OG1 3.18Å
90L96.9Very high94.2Very high22 Ų2261.3 Ų61.312%0.11532%0.319CS..Hα-helixtrans-54.4-51.9176.6174.271.9000110.8T47 V49 L69 W71 D86 W87 N92 T93 K94 V103T47-L90 HydrophobicContact CG2-CD1 4.3Å; T47-L90 HydrophobicContact CG2-CD2 4.09Å; V49-L90 HydrophobicContact CG2-CD2 3.92Å; L69-L90 HydrophobicContact CD1-CD1 3.93Å; L69-L90 HydrophobicContact CD1-CD2 3.72Å; L69-L90 HydrophobicContact CD1-CG 4.42Å; W71-L90 HydrophobicContact CH2-CB 4.03Å; W71-L90 HydrophobicContact CH2-CD2 3.72Å; W71-L90 HydrophobicContact CH2-CG 4.46Å; W71-L90 HydrophobicContact CZ3-CD2 4.19Å; D86-L90 WeakPolarHBondContact O-CB 3.47Å; D86-L90 PolarHBondContact O-N 3.4Å; W87-L90 HydrophobicContact CE3-CD2 4.12Å; W87-L90 HydrophobicContact CZ3-CD2 4.24Å; W87-L90 WeakPolarHBondContact O-CB 3.14Å; W87-L90 PolarHBondContact O-N 3.38Å; L90-N92 PolarHBondContact O-N 3.02Å; L90-T93 PolarHBondContact O-N 2.74Å; L90-K94 HydrophobicContact CD1-CD 4.48Å; L90-K94 HydrophobicContact CD1-CG 3.7Å; L90-K94 HydrophobicContact CG-CG 4.11Å; L90-K94 WeakPolarHBondContact O-CB 3.44Å; L90-K94 VanDerWaalsContact O-CG 3.28Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 3.49Å; L90-V103 HydrophobicContact CD2-CG1 4.47Å
91L96Very high94Very high0 Ų058.6 Ų58.60%030%0.302CS..Hα-helixtrans-62.9-42.3-177.8-64.4-168.9000112.8F22 W87 K89 T93 K94 F95 V103 A121 L161F22-L91 HydrophobicContact CE1-CD1 3.59Å; F22-L91 HydrophobicContact CE1-CD2 3.68Å; F22-L91 HydrophobicContact CE1-CG 4.24Å; F22-L91 HydrophobicContact CZ-CD1 3.68Å; F22-L91 HydrophobicContact CZ-CD2 4.46Å; W87-L91 HydrophobicContact CD2-CD1 4.06Å; W87-L91 HydrophobicContact CD2-CD2 4.31Å; W87-L91 HydrophobicContact CD2-CG 4.01Å; W87-L91 VanDerWaalsContact CE2-CD1 3.46Å; W87-L91 HydrophobicContact CE3-CD2 4.01Å; W87-L91 HydrophobicContact CE3-CG 4.17Å; W87-L91 HydrophobicContact CH2-CD1 4.24Å; W87-L91 HydrophobicContact CH2-CD2 3.66Å; W87-L91 HydrophobicContact CH2-CG 4.27Å; W87-L91 HydrophobicContact CZ2-CD1 3.59Å; W87-L91 HydrophobicContact CZ2-CD2 3.92Å; W87-L91 HydrophobicContact CZ2-CG 4.06Å; W87-L91 HydrophobicContact CZ3-CD2 3.71Å; W87-L91 HydrophobicContact CZ3-CG 4.32Å; W87-L91 WeakPolarHBondContact O-CG 3.38Å; W87-L91 PolarHBondContact O-N 3.35Å; K89-L91 PolarHBondContact O-N 2.87Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.3Å; L91-K94 PolarHBondContact O-N 3.16Å; L91-F95 HydrophobicContact CB-CD2 4.05Å; L91-F95 HydrophobicContact CB-CE2 4.04Å; L91-F95 HydrophobicContact CD1-CE2 4.3Å; L91-F95 HydrophobicContact CD2-CD2 4.39Å; L91-F95 HydrophobicContact CD2-CE2 3.67Å; L91-F95 HydrophobicContact CD2-CZ 4.18Å; L91-F95 HydrophobicContact CG-CE2 4.19Å; L91-F95 WeakPolarHBondContact O-CD2 3.19Å; L91-F95 PolarHBondContact O-N 2.97Å; L91-V103 HydrophobicContact CD2-CB 4.22Å; L91-V103 HydrophobicContact CD2-CG1 4.18Å; L91-V103 HydrophobicContact CD2-CG2 3.98Å; L91-A121 HydrophobicContact CD1-CB 3.4Å; L91-L161 HydrophobicContact CB-CD1 4.12Å; L91-L161 HydrophobicContact CB-CD2 3.93Å; L91-L161 HydrophobicContact CD1-CD1 3.75Å
92N93.5Very high94.1Very high45 Ų4553.5 Ų53.524%0.24127%0.271CS..Hα-helixtrans-63.5-35.9179.2-171.949.9000111.9L88 K89 L90 R96 L161L88-N92 VanDerWaalsContact O-CB 3.3Å; L88-N92 WeakPolarHBondContact O-CB 3.24Å; L88-N92 PolarHBondContact O-N 3.48Å; K89-N92 PolarHBondContact O-N 3.44Å; L90-N92 PolarHBondContact O-N 3.02Å; N92-R96 WeakPolarHBondContact O-CB 3.41Å; N92-R96 WeakPolarHBondContact O-CD 3.28Å; N92-R96 WeakPolarHBondContact O-CG 3.35Å; N92-R96 PolarHBondContact OD1-NE 3.45Å; N92-R96 PolarHBondContact OD1-NH2 2.84Å; N92-L161 HydrophobicContact CB-CD2 3.8Å
93T93.4Very high94.2Very high54 Ų5446.6 Ų46.633%0.33124%0.239SC..Hα-helixtrans-71.7-55.7173.6-64.80000110.8K89 L90 L91 F95 R96 E97K89-T93 PolarHBondContact O-N 2.8Å; K89-T93 PolarHBondContact O-OG1 3.18Å; L90-T93 PolarHBondContact O-N 2.74Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.3Å; T93-F95 PolarHBondContact O-N 3.2Å; T93-R96 PolarHBondContact O-N 3.45Å; T93-E97 VanDerWaalsContact CG2-CD 3.47Å; T93-E97 HydrophobicContact CG2-CG 4.32Å; T93-E97 WeakPolarHBondContact CG2-OE1 3.31Å; T93-E97 WeakPolarHBondContact CG2-OE2 3.23Å; T93-E97 WeakPolarHBondContact O-CB 3.34Å; T93-E97 WeakPolarHBondContact O-CG 3.49Å; T93-E97 PolarHBondContact O-N 3.26Å
94K93.9Very high94.2Very high26 Ų2645.8 Ų45.811%0.11323%0.234CC..Hα-helixtrans-60.5-50.1-171.4-73.5-69.7-171.81630113.4D46 T47 L90 L91 R96 E97 Q98D46-K94 WeakPolarHBondContact OD2-CD 3.13Å; D46-K94 IonicContact OD2-NZ 3.41Å; D46-K94 PolarHBondContact OD2-NZ 3.33Å; T47-K94 WeakPolarHBondContact OG1-CE 3.45Å; T47-K94 PolarHBondContact OG1-NZ 3.24Å; T47-K94 VanDerWaalsContact OG1-NZ 3.09Å; L90-K94 HydrophobicContact CD1-CD 4.48Å; L90-K94 HydrophobicContact CD1-CG 3.7Å; L90-K94 HydrophobicContact CG-CG 4.11Å; L90-K94 WeakPolarHBondContact O-CB 3.44Å; L90-K94 VanDerWaalsContact O-CG 3.28Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 3.49Å; L91-K94 PolarHBondContact O-N 3.16Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.35Å; K94-E97 PolarHBondContact O-N 3.29Å; K94-Q98 PolarHBondContact O-N 3.06Å
95F92.7Very high94.2Very high5 Ų545.5 Ų45.52%0.02223%0.233CC..Hα-helixtrans-73.8-15.6-177.6-63.2-49.3000113.8M20 R21 F22 L91 T93 C101 V103 F163M20-F95 HydrophobicContact CB-CD2 3.99Å; M20-F95 HydrophobicContact CB-CE2 3.59Å; M20-F95 HydrophobicContact CB-CZ 3.94Å; M20-F95 HydrophobicContact CG-CD2 3.56Å; M20-F95 HydrophobicContact CG-CE2 3.59Å; M20-F95 HydrophobicContact CG-CG 4.32Å; M20-F95 HydrophobicContact CG-CZ 4.41Å; M20-F95 HydrophobicContact SD-CD2 4.39Å; M20-F95 HydrophobicContact SD-CE2 4.25Å; R21-F95 WeakPolarHBondContact O-CZ 3.43Å; F22-F95 HydrophobicContact CD1-CZ 4.26Å; F22-F95 AromaticContact CE1-CE2 3.73Å; F22-F95 HydrophobicContact CE1-CE2 3.73Å; F22-F95 AromaticContact CE1-CZ 3.74Å; F22-F95 HydrophobicContact CE1-CZ 3.74Å; F22-F95 AromaticContact CZ-CE2 3.72Å; F22-F95 HydrophobicContact CZ-CE2 3.72Å; F22-F95 HydrophobicContact CZ-CZ 4Å; L91-F95 HydrophobicContact CB-CD2 4.05Å; L91-F95 HydrophobicContact CB-CE2 4.04Å; L91-F95 HydrophobicContact CD1-CE2 4.3Å; L91-F95 HydrophobicContact CD2-CD2 4.39Å; L91-F95 HydrophobicContact CD2-CE2 3.67Å; L91-F95 HydrophobicContact CD2-CZ 4.18Å; L91-F95 HydrophobicContact CG-CE2 4.19Å; L91-F95 WeakPolarHBondContact O-CD2 3.19Å; L91-F95 PolarHBondContact O-N 2.97Å; T93-F95 PolarHBondContact O-N 3.2Å; F95-C101 WeakPolarHBondContact CE1-O 3.35Å; F95-V103 HydrophobicContact CE1-CG2 4.07Å; F95-V103 HydrophobicContact CZ-CB 4.34Å; F95-V103 HydrophobicContact CZ-CG2 3.88Å; F95-F163 HydrophobicContact CB-CE1 3.89Å; F95-F163 HydrophobicContact CB-CZ 3.75Å; F95-F163 HydrophobicContact CD2-CZ 4.07Å; F95-F163 HydrophobicContact CG-CZ 4.4Å
96R90.1Very high94Very high152 Ų15243 Ų4357%0.57422%0.219SC*.Hα-helixtrans-84.1-43.3170.8-71.3-179.2-169.2-156.40.9112.3N92 T93 K94 F163N92-R96 WeakPolarHBondContact O-CB 3.41Å; N92-R96 WeakPolarHBondContact O-CD 3.28Å; N92-R96 WeakPolarHBondContact O-CG 3.35Å; N92-R96 PolarHBondContact OD1-NE 3.45Å; N92-R96 PolarHBondContact OD1-NH2 2.84Å; T93-R96 PolarHBondContact O-N 3.45Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.35Å; R96-F163 HydrophobicContact CG-CD1 4.08Å; R96-F163 HydrophobicContact CG-CE1 3.97Å
97E90.8Very high93.4Very high141 Ų14140.5 Ų40.566%0.65921%0.206SC*.Hα-helixtrans-75.4-34.8-177.3-70.8178.9176.300112.2T93 K94T93-E97 VanDerWaalsContact CG2-CD 3.47Å; T93-E97 HydrophobicContact CG2-CG 4.32Å; T93-E97 WeakPolarHBondContact CG2-OE1 3.31Å; T93-E97 WeakPolarHBondContact CG2-OE2 3.23Å; T93-E97 WeakPolarHBondContact O-CB 3.34Å; T93-E97 WeakPolarHBondContact O-CG 3.49Å; T93-E97 PolarHBondContact O-N 3.26Å; K94-E97 PolarHBondContact O-N 3.29Å
98Q88.2Confident92.6Very high94 Ų9444.6 Ų44.644%0.43923%0.231SC..SBendtrans-130.180.5-178.3-61-172.19.900110.6D46 K94 G100 C101D46-Q98 PolarHBondContact OD2-OE1 3.17Å; K94-Q98 PolarHBondContact O-N 3.06Å; Q98-G100 PolarHBondContact O-N 3.4Å; Q98-C101 HydrophobicContact CB-CB 3.88Å; Q98-C101 WeakPolarHBondContact O-CB 3.48Å; Q98-C101 PolarHBondContact O-N 3.46Å; Q98-C101 VanDerWaalsContact O-N 3.1Å; Q98-C101 PolarHBondContact O-SG 3.45Å
99P87.6Confident91.4Very high112 Ų11246.7 Ų46.773%0.72725%0.249SC*.THydrogen-bonded Turntrans-54.5129.1174.6-25.335000111.1
100G86.4Confident89.8Confident34 Ų3439.8 Ų39.835%0.35122%0.219SC..THydrogen-bonded Turntrans85.7-3.7-179.900000115.6R21 Q98R21-G100 WeakPolarHBondContact CD-O 3.45Å; R21-G100 PolarHBondContact NH1-O 3.04Å; Q98-G100 PolarHBondContact O-N 3.4Å
101C92.4Very high88.5Confident9 Ų941.8 Ų41.86%0.06123%0.229CC..  trans-62.3161.3170.971.30000111.8F95 Q98F95-C101 WeakPolarHBondContact CE1-O 3.35Å; Q98-C101 HydrophobicContact CB-CB 3.88Å; Q98-C101 WeakPolarHBondContact O-CB 3.48Å; Q98-C101 PolarHBondContact O-N 3.46Å; Q98-C101 VanDerWaalsContact O-N 3.1Å; Q98-C101 PolarHBondContact O-SG 3.45Å
102C97.2Very high87.8Confident0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-118.3133.5177.6-171.20000111.3R21 F43 E44 V45 D46R21-C102 HydrophobicContact CB-CB 4.29Å; R21-C102 WeakPolarHBondContact O-CA 3.41Å; F43-C102 WeakPolarHBondContact O-CB 3.39Å; E44-C102 PolarHBondContact O-N 2.96Å; E44-C102 VanDerWaalsContact O-N 3.11Å; V45-C102 VanDerWaalsContact CA-O 3.26Å; V45-C102 WeakPolarHBondContact CA-O 3.49Å; V45-C102 HydrophobicContact CG2-CB 4.04Å; D46-C102 PolarHBondContact N-O 3.39Å; D46-C102 VanDerWaalsContact N-O 3.15Å
103V97.9Very high87.6Confident0 Ų041.5 Ų41.50%023%0.23CC..EExtended strand (participates in β ladder)trans-103.7114.8173.5-178.80000109.3R21 F22 L23 V49 W87 L90 L91 F95R21-V103 PolarHBondContact O-N 3.28Å; F22-V103 VanDerWaalsContact CA-O 3.23Å; F22-V103 WeakPolarHBondContact CA-O 3.07Å; F22-V103 HydrophobicContact CD1-CB 4.28Å; L23-V103 PolarHBondContact N-O 3.46Å; V49-V103 HydrophobicContact CG2-CG1 4.34Å; W87-V103 HydrophobicContact CH2-CG1 3.79Å; W87-V103 HydrophobicContact CZ3-CG1 3.58Å; L90-V103 HydrophobicContact CD2-CG1 4.47Å; L91-V103 HydrophobicContact CD2-CB 4.22Å; L91-V103 HydrophobicContact CD2-CG1 4.18Å; L91-V103 HydrophobicContact CD2-CG2 3.98Å; F95-V103 HydrophobicContact CE1-CG2 4.07Å; F95-V103 HydrophobicContact CZ-CB 4.34Å; F95-V103 HydrophobicContact CZ-CG2 3.88Å
104A97.6Very high87.6Confident0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-86.2143.5176.600000111.5L23 L40 V45 T47 L48 V49L23-A104 HydrophobicContact CB-CB 4.07Å; L23-A104 CarbonylContact O-C 3.57Å; L23-A104 WeakPolarHBondContact O-CA 3.48Å; L40-A104 HydrophobicContact CD2-CB 3.9Å; V45-A104 HydrophobicContact CB-CB 4.42Å; V45-A104 HydrophobicContact CG1-CB 3.54Å; V45-A104 HydrophobicContact CG2-CB 3.96Å; T47-A104 PolarHBondContact O-N 3.22Å; L48-A104 CarbonylContact C-O 3.38Å; L48-A104 WeakPolarHBondContact CA-O 3.23Å; L48-A104 HydrophobicContact CD1-CB 3.49Å; L48-A104 VanDerWaalsContact CD1-CB 3.49Å; V49-A104 PolarHBondContact N-O 3.31Å
105V96.8Very high87.7Confident0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-134.5130.5175.2-168.10000109.2L23 I24 T25 V49 V51 W87 A114 L117L23-V105 PolarHBondContact O-N 2.68Å; I24-V105 WeakPolarHBondContact CA-O 3.02Å; T25-V105 PolarHBondContact N-O 3.35Å; V49-V105 HydrophobicContact CB-CG1 4.37Å; V49-V105 HydrophobicContact CB-CG2 4.37Å; V49-V105 WeakPolarHBondContact O-CA 3.41Å; V51-V105 HydrophobicContact CG1-CG1 3.93Å; V51-V105 HydrophobicContact CG2-CG1 4.33Å; W87-V105 HydrophobicContact CH2-CG2 3.41Å; W87-V105 VanDerWaalsContact CH2-CG2 3.41Å; W87-V105 HydrophobicContact CZ2-CG2 4.25Å; W87-V105 HydrophobicContact CZ3-CG2 3.83Å; V105-A114 HydrophobicContact CB-CB 4.13Å; V105-A114 HydrophobicContact CG1-CB 3.65Å; V105-L117 HydrophobicContact CG1-CD1 4.39Å
106H92.9Very high87.9Confident2 Ų237.4 Ų37.41%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-136.1152175.285.187.1000112.9T25 N27 V49 R50 V51 Y56T25-H106 WeakPolarHBondContact OG1-CB 3.09Å; N27-H106 PolarHBondContact OD1-CE1 3.46Å; V49-H106 PolarHBondContact O-N 3.34Å; R50-H106 WeakPolarHBondContact CD-NE2 3.21Å; R50-H106 WeakPolarHBondContact CG-NE2 3.46Å; V51-H106 VanDerWaalsContact CG2-O 3.24Å; V51-H106 WeakPolarHBondContact CG2-O 3.11Å; V51-H106 PolarHBondContact N-O 3.16Å; Y56-H106 AromaticContact CE1-CE1 3.81Å; Y56-H106 AromaticContact CE1-NE2 3.85Å; Y56-H106 AromaticContact CZ-NE2 3.9Å; Y56-H106 PolarHBondContact OH-NE2 2.83Å; Y56-H106 VanDerWaalsContact OH-NE2 3.08Å
107C86.3Confident88.2Confident5 Ų530.2 Ų30.23%0.03418%0.181CC..  trans-118.4-136.2169.8-175.30000106.6N27 V51 C52 R113 A114N27-C107 VanDerWaalsContact CB-O 3.3Å; N27-C107 WeakPolarHBondContact CB-O 3.49Å; V51-C107 HydrophobicContact CG2-CB 3.84Å; C52-C107 PolarHBondContact SG-O 2.91Å; C107-R113 HydrophobicContact CB-CB 4.23Å; C107-R113 PolarHBondContact SG-NE 3.27Å; C107-A114 HydrophobicContact CB-CB 4.45Å
108V79.5Confident88.5Confident86 Ų8623.5 Ų23.552%0.52115%0.149SC..SBendtrans-83.7-66172.2-176.80000110.6N27 C52N27-V108 WeakPolarHBondContact CB-O 3.38Å; N27-V108 PolarHBondContact N-O 3.04Å; C52-V108 HydrophobicContact CB-CG2 4.19Å
109A72.4Confident89Confident48 Ų4819 Ų1940%0.39713%0.128SC..SBendtrans-99.7-1.8-179.600000113.7L111 R140A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 HydrophobicContact CB-CD1 4.22Å; A109-L111 HydrophobicContact CB-CG 4.38Å; A109-L111 PolarHBondContact O-N 2.81Å; A109-R140 PolarHBondContact O-NH2 3.11Å
110G63.1Low89.4Confident0 Ų013.7 Ų13.70%09%0.094CC..SBendtrans65.525.3-179.200000115.1R140G110-R140 PolarHBondContact O-NE 2.84Å
111L69.5Low90Very high64 Ų6412 Ų1234%0.3358%0.077SC..SBendtrans-109.8-26.7-175.3-65.9171.4000114.6A109 R140 A143 F144A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 HydrophobicContact CB-CD1 4.22Å; A109-L111 HydrophobicContact CB-CG 4.38Å; A109-L111 PolarHBondContact O-N 2.81Å; L111-R140 HydrophobicContact CD2-CG 3.93Å; L111-A143 WeakPolarHBondContact O-CA 3.47Å; L111-F144 PolarHBondContact O-N 3.43Å
112G80.8Confident90.2Very high17 Ų1711.6 Ų11.618%0.1757%0.074CC..SBendtrans-107.2-85-176.200000112.8A114 P115 V116G112-A114 PolarHBondContact O-N 2.97Å; G112-P115 WeakPolarHBondContact O-CD 3.43Å; G112-V116 WeakPolarHBondContact O-CG2 3.41Å
113R90.4Very high90.2Very high22 Ų2211.9 Ų11.98%0.0838%0.075CC..Hα-helixtrans-61.8-46.1-168.8-66-179.9-102.9171.50.6114.3V51 F73 D75 C107 V116V51-R113 HydrophobicContact CB-CB 4.38Å; V51-R113 HydrophobicContact CG2-CB 3.61Å; V51-R113 PolarHBondContact O-NH1 2.84Å; F73-R113 HydrophobicContact CD2-CG 4.1Å; F73-R113 HydrophobicContact CE1-CB 4.14Å; F73-R113 HydrophobicContact CE2-CB 3.78Å; F73-R113 HydrophobicContact CE2-CG 3.51Å; F73-R113 HydrophobicContact CZ-CB 3.47Å; F73-R113 VanDerWaalsContact CZ-CB 3.47Å; F73-R113 HydrophobicContact CZ-CG 3.79Å; F73-R113 WeakPolarHBondContact O-CD 3.47Å; F73-R113 PolarHBondContact O-NH1 2.82Å; D75-R113 IonicContact OD1-CZ 2.82Å; D75-R113 IonicContact OD1-NE 3.78Å; D75-R113 PolarHBondContact OD1-NE 2.85Å; D75-R113 IonicContact OD1-NH2 2.9Å; C107-R113 HydrophobicContact CB-CB 4.23Å; C107-R113 PolarHBondContact SG-NE 3.27Å; R113-V116 WeakPolarHBondContact O-CB 3.3Å; R113-V116 PolarHBondContact O-N 2.87Å; R113-V116 VanDerWaalsContact O-N 3.16Å
114A94.1Very high90.2Very high0 Ų011.9 Ų11.90%08%0.075CC..Hα-helixtrans-62.4-48.6-178.100000113I24 V51 V105 C107 G112 V116 L117 V118I24-A114 HydrophobicContact CG2-CB 4.23Å; V51-A114 HydrophobicContact CG2-CB 4.22Å; V105-A114 HydrophobicContact CB-CB 4.13Å; V105-A114 HydrophobicContact CG1-CB 3.65Å; C107-A114 HydrophobicContact CB-CB 4.45Å; G112-A114 PolarHBondContact O-N 2.97Å; A114-V116 PolarHBondContact O-N 3.47Å; A114-L117 PolarHBondContact O-N 2.95Å; A114-V118 PolarHBondContact O-N 3.04Å
115P95.2Very high90Very high0 Ų012 Ų120%08%0.077CC..Hα-helixtrans-52.3-33.7171.1-32.536.4000115.4I24 G112 V118 A119 I136 A143 F144I24-P115 HydrophobicContact CD1-CG 4.24Å; G112-P115 WeakPolarHBondContact O-CD 3.43Å; P115-V118 PolarHBondContact O-N 2.75Å; P115-A119 WeakPolarHBondContact O-CB 3.38Å; P115-A119 PolarHBondContact O-N 3.48Å; P115-I136 HydrophobicContact CB-CG2 4.13Å; P115-A143 HydrophobicContact CB-CB 4.18Å; P115-A143 HydrophobicContact CG-CB 4.24Å; P115-F144 VanDerWaalsContact C-CE1 3.48Å; P115-F144 HydrophobicContact CB-CD1 4.22Å; P115-F144 HydrophobicContact CB-CE1 3.57Å; P115-F144 HydrophobicContact CB-CZ 3.78Å; P115-F144 WeakPolarHBondContact O-CE1 3.37Å
116V96.2Very high89.9Confident0 Ų013.7 Ų13.70%09%0.094CC..Hα-helixtrans-65.7-42-179.1176.80000111.8P79 G112 R113 A114 A119 L120 F144 Q148 Y151 L152P79-V116 HydrophobicContact CG-CG1 4.01Å; G112-V116 WeakPolarHBondContact O-CG2 3.41Å; R113-V116 WeakPolarHBondContact O-CB 3.3Å; R113-V116 PolarHBondContact O-N 2.87Å; R113-V116 VanDerWaalsContact O-N 3.16Å; A114-V116 PolarHBondContact O-N 3.47Å; V116-A119 PolarHBondContact O-N 3.23Å; V116-L120 HydrophobicContact CG1-CD1 4.43Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 2.82Å; V116-F144 HydrophobicContact CG2-CD1 3.84Å; V116-F144 HydrophobicContact CG2-CE1 4.01Å; V116-Q148 HydrophobicContact CG2-CB 3.87Å; V116-Q148 HydrophobicContact CG2-CG 3.8Å; V116-Y151 HydrophobicContact CG1-CD1 4.3Å; V116-Y151 HydrophobicContact CG1-CE1 4.25Å; V116-L152 HydrophobicContact CG1-CD2 4.36Å
117L97.1Very high90.1Very high0 Ų015.1 Ų15.10%010%0.101CC..Hα-helixtrans-65.4-41.2176-66.5-167.8000111.8V51 P79 I83 W87 V105 A114 A119 L120 A121V51-L117 HydrophobicContact CG1-CD1 3.52Å; V51-L117 HydrophobicContact CG1-CG 4.45Å; P79-L117 HydrophobicContact CB-CD2 4.08Å; P79-L117 HydrophobicContact CG-CD2 4.23Å; I83-L117 HydrophobicContact CG2-CD2 4.23Å; W87-L117 HydrophobicContact CD2-CB 4.27Å; W87-L117 HydrophobicContact CD2-CD1 4.34Å; W87-L117 HydrophobicContact CG-CB 4.45Å; W87-L117 HydrophobicContact CG-CD1 4.45Å; W87-L117 HydrophobicContact CG-CD2 4.47Å; W87-L117 HydrophobicContact CZ2-CB 4.17Å; W87-L117 PolarHBondContact NE1-O 3.35Å; V105-L117 HydrophobicContact CG1-CD1 4.39Å; A114-L117 PolarHBondContact O-N 2.95Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.85Å; L117-L120 HydrophobicContact CD2-CD1 4.22Å; L117-L120 PolarHBondContact O-N 3.4Å; L117-A121 PolarHBondContact O-N 2.8Å; L117-A121 VanDerWaalsContact O-N 3.1Å
118V97.4Very high90.6Very high0 Ų021.8 Ų21.80%013%0.129CC..Hα-helixtrans-63.2-41.9176179.80000110.9I15 F22 I24 A114 P115 L120 A121 L122 I136I15-V118 HydrophobicContact CB-CG1 4.2Å; I15-V118 HydrophobicContact CG1-CG1 4.31Å; I15-V118 HydrophobicContact CG2-CG1 4Å; F22-V118 HydrophobicContact CB-CG1 4.26Å; F22-V118 HydrophobicContact CB-CG2 4.12Å; F22-V118 HydrophobicContact CD2-CG1 3.85Å; F22-V118 HydrophobicContact CE2-CG1 4.44Å; F22-V118 HydrophobicContact CG-CG1 4.1Å; F22-V118 HydrophobicContact CG-CG2 4.23Å; I24-V118 HydrophobicContact CD1-CB 4.37Å; I24-V118 HydrophobicContact CD1-CG2 3.99Å; I24-V118 HydrophobicContact CG1-CG2 3.96Å; A114-V118 PolarHBondContact O-N 3.04Å; P115-V118 PolarHBondContact O-N 2.75Å; V118-L120 PolarHBondContact O-N 2.9Å; V118-A121 WeakPolarHBondContact O-CB 3.33Å; V118-A121 PolarHBondContact O-N 2.99Å; V118-L122 WeakPolarHBondContact O-CG 3.46Å; V118-L122 PolarHBondContact O-N 3.15Å; V118-L122 VanDerWaalsContact O-N 3.11Å; V118-I136 HydrophobicContact CB-CD1 4.3Å; V118-I136 HydrophobicContact CG1-CD1 4.09Å
119A97.5Very high91.4Very high0 Ų019.7 Ų19.70%011%0.113CC..Hα-helixtrans-60-45.8175.200000111.8P115 V116 L117 A121 L122 L123 I136 F144 L152P115-A119 WeakPolarHBondContact O-CB 3.38Å; P115-A119 PolarHBondContact O-N 3.48Å; V116-A119 PolarHBondContact O-N 3.23Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.85Å; A119-A121 PolarHBondContact O-N 2.81Å; A119-L122 WeakPolarHBondContact O-CB 3.47Å; A119-L122 PolarHBondContact O-N 2.82Å; A119-L122 VanDerWaalsContact O-N 3.09Å; A119-L123 WeakPolarHBondContact O-CD1 3.2Å; A119-L123 PolarHBondContact O-N 3.09Å; A119-I136 HydrophobicContact CB-CD1 3.78Å; A119-F144 HydrophobicContact CB-CE1 4.1Å; A119-F144 HydrophobicContact CB-CZ 3.94Å; A119-L152 HydrophobicContact CB-CD1 3.83Å; A119-L152 HydrophobicContact CB-CD2 3.83Å
120L97.6Very high92.6Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-57.1-38.9176.1-73169.4000112.3P79 V84 V116 L117 V118 L123 E124 Y151 L152 Y155P79-L120 HydrophobicContact CG-CD1 3.84Å; V84-L120 HydrophobicContact CG1-CD1 4.16Å; V84-L120 HydrophobicContact CG2-CD1 3.81Å; V116-L120 HydrophobicContact CG1-CD1 4.43Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 2.82Å; L117-L120 HydrophobicContact CD2-CD1 4.22Å; L117-L120 PolarHBondContact O-N 3.4Å; V118-L120 PolarHBondContact O-N 2.9Å; L120-L123 PolarHBondContact O-N 3.11Å; L120-E124 WeakPolarHBondContact O-CB 3.26Å; L120-E124 VanDerWaalsContact O-CG 3.27Å; L120-E124 WeakPolarHBondContact O-CG 3.14Å; L120-E124 PolarHBondContact O-N 2.68Å; L120-Y151 HydrophobicContact CD1-CE1 4.19Å; L120-Y151 HydrophobicContact CD2-CE1 3.98Å; L120-Y151 HydrophobicContact CG-CE1 4.41Å; L120-L152 HydrophobicContact CD2-CD2 4.13Å; L120-L152 HydrophobicContact CG-CD2 4.18Å; L120-Y155 HydrophobicContact CD2-CD1 3.77Å; L120-Y155 HydrophobicContact CD2-CD2 3.54Å; L120-Y155 HydrophobicContact CD2-CE1 3.78Å; L120-Y155 HydrophobicContact CD2-CE2 3.55Å; L120-Y155 HydrophobicContact CD2-CG 3.65Å
121A97.5Very high94.2Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-64.3-43.1175.900000112.2M20 F22 W87 L91 L117 V118 A119 E124 G125 L161M20-A121 HydrophobicContact SD-CB 4.35Å; F22-A121 HydrophobicContact CE1-CB 4.24Å; F22-A121 HydrophobicContact CE2-CB 4.07Å; F22-A121 HydrophobicContact CZ-CB 3.52Å; W87-A121 HydrophobicContact CZ2-CB 4.47Å; L91-A121 HydrophobicContact CD1-CB 3.4Å; L117-A121 PolarHBondContact O-N 2.8Å; L117-A121 VanDerWaalsContact O-N 3.1Å; V118-A121 WeakPolarHBondContact O-CB 3.33Å; V118-A121 PolarHBondContact O-N 2.99Å; A119-A121 PolarHBondContact O-N 2.81Å; A121-E124 PolarHBondContact O-N 3.34Å; A121-G125 PolarHBondContact O-N 2.9Å; A121-L161 HydrophobicContact CB-CD1 4.01Å
122L97.4Very high95.6Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-62.6-43.4176-62.5173.6000111.7I15 H17 V118 A119 E124 G125 G126 M127 A132 F135 I136I15-L122 HydrophobicContact CG2-CD1 4.5Å; H17-L122 HydrophobicContact CB-CD2 3.43Å; H17-L122 VanDerWaalsContact CB-CD2 3.43Å; V118-L122 WeakPolarHBondContact O-CG 3.46Å; V118-L122 PolarHBondContact O-N 3.15Å; V118-L122 VanDerWaalsContact O-N 3.11Å; A119-L122 WeakPolarHBondContact O-CB 3.47Å; A119-L122 PolarHBondContact O-N 2.82Å; A119-L122 VanDerWaalsContact O-N 3.09Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-E124 PolarHBondContact O-N 2.9Å; L122-G125 PolarHBondContact O-N 3.41Å; L122-G126 PolarHBondContact O-N 3.37Å; L122-G126 VanDerWaalsContact O-N 3.14Å; L122-M127 HydrophobicContact CB-CB 4.1Å; L122-M127 HydrophobicContact CB-SD 4.01Å; L122-M127 HydrophobicContact CD1-SD 4Å; L122-M127 HydrophobicContact CD2-CE 4.16Å; L122-M127 HydrophobicContact CD2-SD 4.46Å; L122-M127 HydrophobicContact CG-SD 4.38Å; L122-M127 VanDerWaalsContact O-CB 3.26Å; L122-M127 WeakPolarHBondContact O-CB 3.43Å; L122-M127 PolarHBondContact O-N 2.76Å; L122-A132 HydrophobicContact CB-CB 4.08Å; L122-A132 HydrophobicContact CD1-CB 4.11Å; L122-F135 HydrophobicContact CD1-CD1 3.91Å; L122-I136 HydrophobicContact CD1-CD1 3.88Å; L122-I136 HydrophobicContact CD1-CG1 4.06Å
123L97.4Very high96.3Very high5 Ų522.9 Ų22.93%0.02612%0.116CC..Hα-helixtrans-62.8-41176.7-87.771.4000111.5A119 L120 G125 G126 M127 A132 Y155 P157A119-L123 WeakPolarHBondContact O-CD1 3.2Å; A119-L123 PolarHBondContact O-N 3.09Å; L120-L123 PolarHBondContact O-N 3.11Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 3.11Å; L123-G126 WeakPolarHBondContact O-CA 3.46Å; L123-G126 PolarHBondContact O-N 3.1Å; L123-M127 WeakPolarHBondContact CA-O 3.33Å; L123-A132 HydrophobicContact CD1-CB 3.43Å; L123-A132 VanDerWaalsContact CD1-CB 3.43Å; L123-Y155 HydrophobicContact CB-CD1 4.35Å; L123-Y155 HydrophobicContact CD2-CD1 3.85Å; L123-Y155 HydrophobicContact CD2-CG 4.49Å; L123-P157 WeakPolarHBondContact O-CB 3.42Å
124E96.7Very high96.6Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-71.2-21.6176.2-72.7-76.9170.200113.5L88 L120 A121 L122 G126 Y155 P157 K158 M159 R160 L161L88-E124 HydrophobicContact CD1-CG 3.77Å; L88-E124 HydrophobicContact CD2-CB 4.01Å; L88-E124 HydrophobicContact CD2-CG 3.69Å; L88-E124 HydrophobicContact CG-CG 4.39Å; L120-E124 WeakPolarHBondContact O-CB 3.26Å; L120-E124 VanDerWaalsContact O-CG 3.27Å; L120-E124 WeakPolarHBondContact O-CG 3.14Å; L120-E124 PolarHBondContact O-N 2.68Å; A121-E124 PolarHBondContact O-N 3.34Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-E124 PolarHBondContact O-N 2.9Å; E124-G126 VanDerWaalsContact C-N 3.29Å; E124-Y155 HydrophobicContact CG-CE1 4.21Å; E124-Y155 WeakPolarHBondContact OE1-CE1 3.36Å; E124-Y155 PolarHBondContact OE1-OH 2.85Å; E124-P157 HydrophobicContact CG-CB 4.44Å; E124-P157 WeakPolarHBondContact OE1-CA 3.41Å; E124-K158 PolarHBondContact OE1-N 3.38Å; E124-K158 PolarHBondContact OE2-N 3.29Å; E124-K158 VanDerWaalsContact OE2-N 3.14Å; E124-M159 CarbonylContact O-C 3.5Å; E124-M159 WeakPolarHBondContact O-CA 3.25Å; E124-M159 PolarHBondContact OE2-N 3.34Å; E124-R160 PolarHBondContact OE2-N 3.24Å; E124-L161 HydrophobicContact CB-CB 4.14Å; E124-L161 HydrophobicContact CB-CD1 4.01Å; E124-L161 HydrophobicContact CB-CG 4.03Å; E124-L161 PolarHBondContact O-N 3.45Å
125G94.8Very high96.8Very high3 Ų329.8 Ų29.83%0.03115%0.149CC..Hα-helixtrans-74.5-19.2165.600000113.1A121 L122 L123A121-G125 PolarHBondContact O-N 2.9Å; L122-G125 PolarHBondContact O-N 3.41Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 3.11Å
126G95.1Very high96.8Very high35 Ų3529.8 Ų29.836%0.36115%0.149SC..THydrogen-bonded Turntrans109.48.2177.500000115.1L122 L123 E124 M159L122-G126 PolarHBondContact O-N 3.37Å; L122-G126 VanDerWaalsContact O-N 3.14Å; L123-G126 WeakPolarHBondContact O-CA 3.46Å; L123-G126 PolarHBondContact O-N 3.1Å; E124-G126 VanDerWaalsContact C-N 3.29Å; G126-M159 VanDerWaalsContact CA-CE 3.49Å
127M96.5Very high96.7Very high33 Ų3334.5 Ų34.516%0.16317%0.167CC..  trans-67.8138.4170.3-168.5173.8-70.900110.2H17 L122 L123 D131 A132 F135H17-M127 VanDerWaalsContact CE1-CE 3.49Å; H17-M127 WeakPolarHBondContact CE1-CE 3.38Å; H17-M127 WeakPolarHBondContact ND1-CE 2.88Å; L122-M127 HydrophobicContact CB-CB 4.1Å; L122-M127 HydrophobicContact CB-SD 4.01Å; L122-M127 HydrophobicContact CD1-SD 4Å; L122-M127 HydrophobicContact CD2-CE 4.16Å; L122-M127 HydrophobicContact CD2-SD 4.46Å; L122-M127 HydrophobicContact CG-SD 4.38Å; L122-M127 VanDerWaalsContact O-CB 3.26Å; L122-M127 WeakPolarHBondContact O-CB 3.43Å; L122-M127 PolarHBondContact O-N 2.76Å; L123-M127 WeakPolarHBondContact CA-O 3.33Å; M127-D131 HydrophobicContact CG-CB 3.78Å; M127-D131 HydrophobicContact SD-CB 4.32Å; M127-A132 HydrophobicContact CG-CB 4.08Å; M127-A132 WeakPolarHBondContact SD-CA 3.4Å; M127-A132 HydrophobicContact SD-CB 3.78Å; M127-F135 HydrophobicContact CE-CD1 4.16Å; M127-F135 HydrophobicContact SD-CB 4.45Å; M127-F135 HydrophobicContact SD-CD1 4.34Å
128K96.6Very high96.6Very high144 Ų14441.7 Ų41.763%0.62620%0.2SC*.  trans-67.4155174-65.7-179.5179.7175.80110.6E130 D131 A132K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.45Å; K128-D131 HydrophobicContact CB-CB 4.48Å; K128-D131 PolarHBondContact O-N 2.83Å; K128-A132 WeakPolarHBondContact O-CB 3.22Å; K128-A132 PolarHBondContact O-N 3.38Å
129Y96.3Very high96.4Very high43 Ų4346 Ų4617%0.16922%0.219CC..Hα-helixtrans-55.2-48.2-179.4156.5-111.4000112.3D131 A132 V133 L149 L152 E153Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 3.45Å; Y129-A132 PolarHBondContact O-N 2.85Å; Y129-V133 HydrophobicContact CD2-CG2 3.82Å; Y129-V133 HydrophobicContact CE2-CG2 3.36Å; Y129-V133 WeakPolarHBondContact O-CG2 3.36Å; Y129-V133 PolarHBondContact O-N 2.8Å; Y129-L149 WeakPolarHBondContact OH-CB 3.49Å; Y129-L149 PolarHBondContact OH-O 3.13Å; Y129-L152 HydrophobicContact CD2-CB 3.53Å; Y129-L152 HydrophobicContact CE2-CB 3.45Å; Y129-L152 VanDerWaalsContact CE2-CB 3.45Å; Y129-E153 HydrophobicContact CD1-CB 4.05Å; Y129-E153 HydrophobicContact CD1-CG 4.27Å; Y129-E153 HydrophobicContact CE1-CB 3.72Å; Y129-E153 HydrophobicContact CE1-CG 4.06Å; Y129-E153 HydrophobicContact CE2-CB 4.32Å; Y129-E153 HydrophobicContact CG-CB 4.46Å
130E97Very high96Very high104 Ų10446.4 Ų46.449%0.48622%0.221SC..Hα-helixtrans-61.9-45.1-177.8-59.378-171.600110.8K128 V133 Q134K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.45Å; E130-V133 PolarHBondContact O-N 2.77Å; E130-Q134 WeakPolarHBondContact O-CB 3.33Å; E130-Q134 VanDerWaalsContact O-CG 3.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.34Å; E130-Q134 PolarHBondContact O-N 2.63Å
131D97.4Very high95.5Very high81 Ų8157.5 Ų57.543%0.43326%0.262SS..Hα-helixtrans-64.9-43.1179.4-62.3-29000111.1M127 K128 Y129 Q134 F135M127-D131 HydrophobicContact CG-CB 3.78Å; M127-D131 HydrophobicContact SD-CB 4.32Å; K128-D131 HydrophobicContact CB-CB 4.48Å; K128-D131 PolarHBondContact O-N 2.83Å; Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 3.45Å; D131-Q134 PolarHBondContact O-N 2.76Å; D131-F135 WeakPolarHBondContact O-CB 3.41Å; D131-F135 PolarHBondContact O-N 2.79Å
132A97.6Very high95.1Very high0 Ų060.1 Ų60.10%029%0.29CS..Hα-helixtrans-64.1-43.4178.300000112.2L122 L123 M127 K128 Y129 I136L122-A132 HydrophobicContact CB-CB 4.08Å; L122-A132 HydrophobicContact CD1-CB 4.11Å; L123-A132 HydrophobicContact CD1-CB 3.43Å; L123-A132 VanDerWaalsContact CD1-CB 3.43Å; M127-A132 HydrophobicContact CG-CB 4.08Å; M127-A132 WeakPolarHBondContact SD-CA 3.4Å; M127-A132 HydrophobicContact SD-CB 3.78Å; K128-A132 WeakPolarHBondContact O-CB 3.22Å; K128-A132 PolarHBondContact O-N 3.38Å; Y129-A132 PolarHBondContact O-N 2.85Å; A132-I136 WeakPolarHBondContact O-CG1 3.33Å; A132-I136 PolarHBondContact O-N 2.86Å; A132-I136 VanDerWaalsContact O-N 3.09Å
133V96.7Very high94.8Very high11 Ų1160.1 Ų60.17%0.06729%0.29CS..Hα-helixtrans-63.1-46.6176167.80000110.8Y129 E130 R137 F144 L149 L152Y129-V133 HydrophobicContact CD2-CG2 3.82Å; Y129-V133 HydrophobicContact CE2-CG2 3.36Å; Y129-V133 WeakPolarHBondContact O-CG2 3.36Å; Y129-V133 PolarHBondContact O-N 2.8Å; E130-V133 PolarHBondContact O-N 2.77Å; V133-R137 HydrophobicContact CG1-CG 4.48Å; V133-R137 WeakPolarHBondContact O-CB 3.42Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.4Å; V133-R137 PolarHBondContact O-N 3.45Å; V133-F144 HydrophobicContact CB-CE2 4.43Å; V133-F144 HydrophobicContact CG1-CD2 4.11Å; V133-F144 HydrophobicContact CG1-CE2 4.34Å; V133-F144 HydrophobicContact CG2-CD2 4.33Å; V133-F144 HydrophobicContact CG2-CE2 4.24Å; V133-L149 HydrophobicContact CG1-CD2 3.79Å; V133-L149 HydrophobicContact CG2-CD2 3.84Å; V133-L152 HydrophobicContact CG2-CD1 4.3Å
134Q96.9Very high94.5Very high118 Ų11860.5 Ų60.555%0.55129%0.291SS*.Hα-helixtrans-63.3-45.8178.8-74.7-174.6300111.6E130 D131 I136 R137 Q138E130-Q134 WeakPolarHBondContact O-CB 3.33Å; E130-Q134 VanDerWaalsContact O-CG 3.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.34Å; E130-Q134 PolarHBondContact O-N 2.63Å; D131-Q134 PolarHBondContact O-N 2.76Å; Q134-I136 VanDerWaalsContact C-N 3.34Å; Q134-I136 PolarHBondContact O-N 3.19Å; Q134-R137 PolarHBondContact O-N 3.08Å; Q134-R137 VanDerWaalsContact O-N 3.17Å; Q134-Q138 VanDerWaalsContact O-CG 3.31Å; Q134-Q138 WeakPolarHBondContact O-CG 3.33Å; Q134-Q138 PolarHBondContact O-N 3.04Å
135F96.8Very high94.3Very high48 Ų4863.3 Ų63.321%0.21131%0.306CS..Hα-helixtrans-59.1-44.7-179.4-178.1-136.4000112.2I15 K16 L122 M127 D131I15-F135 HydrophobicContact CG2-CD1 4.16Å; I15-F135 HydrophobicContact CG2-CE1 3.58Å; I15-F135 HydrophobicContact CG2-CZ 4.29Å; K16-F135 WeakPolarHBondContact O-CZ 3.33Å; L122-F135 HydrophobicContact CD1-CD1 3.91Å; M127-F135 HydrophobicContact CE-CD1 4.16Å; M127-F135 HydrophobicContact SD-CB 4.45Å; M127-F135 HydrophobicContact SD-CD1 4.34Å; D131-F135 WeakPolarHBondContact O-CB 3.41Å; D131-F135 PolarHBondContact O-N 2.79Å
136I95.8Very high94.2Very high0 Ų068 Ų680%034%0.338CS..Hα-helixtrans-68.3-42176.5-68.8169.2000110.9I15 P115 V118 A119 L122 A132 Q134 Q138 K139 R140 A143 F144I15-I136 HydrophobicContact CD1-CG1 4.35Å; P115-I136 HydrophobicContact CB-CG2 4.13Å; V118-I136 HydrophobicContact CB-CD1 4.3Å; V118-I136 HydrophobicContact CG1-CD1 4.09Å; A119-I136 HydrophobicContact CB-CD1 3.78Å; L122-I136 HydrophobicContact CD1-CD1 3.88Å; L122-I136 HydrophobicContact CD1-CG1 4.06Å; A132-I136 WeakPolarHBondContact O-CG1 3.33Å; A132-I136 PolarHBondContact O-N 2.86Å; A132-I136 VanDerWaalsContact O-N 3.09Å; Q134-I136 VanDerWaalsContact C-N 3.34Å; Q134-I136 PolarHBondContact O-N 3.19Å; I136-Q138 VanDerWaalsContact C-N 3.33Å; I136-Q138 PolarHBondContact O-N 3.31Å; I136-K139 PolarHBondContact O-N 2.93Å; I136-R140 PolarHBondContact O-N 3.35Å; I136-A143 HydrophobicContact CG2-CB 3.88Å; I136-F144 HydrophobicContact CB-CE2 4.02Å; I136-F144 HydrophobicContact CB-CZ 4.15Å; I136-F144 HydrophobicContact CD1-CE2 4.42Å; I136-F144 HydrophobicContact CD1-CZ 3.75Å; I136-F144 HydrophobicContact CG2-CE2 3.88Å; I136-F144 HydrophobicContact CG2-CZ 3.89Å
137R95.1Very high94.1Very high99 Ų9973.7 Ų73.737%0.37435%0.353SS..Hα-helixtrans-66.3-31179.7-79.3179.5168.3179.5-4.2113.9V133 Q134 K139 R140 R141 A143 F144V133-R137 HydrophobicContact CG1-CG 4.48Å; V133-R137 WeakPolarHBondContact O-CB 3.42Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.4Å; V133-R137 PolarHBondContact O-N 3.45Å; Q134-R137 PolarHBondContact O-N 3.08Å; Q134-R137 VanDerWaalsContact O-N 3.17Å; R137-K139 PolarHBondContact O-N 2.85Å; R137-R140 CarbonylContact O-C 3.58Å; R137-R140 PolarHBondContact O-N 3.39Å; R137-R141 PolarHBondContact O-N 3.33Å; R137-A143 HydrophobicContact CG-CB 4.19Å; R137-A143 PolarHBondContact NE-O 3.25Å; R137-A143 PolarHBondContact NH2-O 3.19Å; R137-A143 VanDerWaalsContact NH2-O 3.16Å; R137-F144 HydrophobicContact CG-CD2 4.48Å; R137-F144 PolarHBondContact NH2-O 3.12Å
138Q94.6Very high94.1Very high151 Ų15172.2 Ų72.271%0.70635%0.346SS*.Hα-helixtrans-58.4-37.6173.6-77.4172.412.800111.4Q134 I136Q134-Q138 VanDerWaalsContact O-CG 3.31Å; Q134-Q138 WeakPolarHBondContact O-CG 3.33Å; Q134-Q138 PolarHBondContact O-N 3.04Å; I136-Q138 VanDerWaalsContact C-N 3.33Å; I136-Q138 PolarHBondContact O-N 3.31Å
139K91.9Very high94Very high92 Ų9266.9 Ų66.940%0.432%0.324SS..Hα-helixtrans-94.2-27.7179.3-50.4-154.9-165-174.60113.8V13 E14 I15 I136 R137V13-K139 HydrophobicContact CG1-CB 3.38Å; V13-K139 HydrophobicContact CG1-CD 4.18Å; V13-K139 HydrophobicContact CG1-CG 4.42Å; V13-K139 WeakPolarHBondContact CG2-O 3.44Å; E14-K139 VanDerWaalsContact O-CD 3.23Å; E14-K139 WeakPolarHBondContact O-CD 3.35Å; E14-K139 WeakPolarHBondContact O-CE 3.4Å; E14-K139 PolarHBondContact O-NZ 3.33Å; I15-K139 HydrophobicContact CD1-CB 4.17Å; I15-K139 HydrophobicContact CD1-CD 3.73Å; I15-K139 HydrophobicContact CD1-CG 4.08Å; I136-K139 PolarHBondContact O-N 2.93Å; R137-K139 PolarHBondContact O-N 2.85Å
140R89.1Confident94Very high8 Ų868.7 Ų68.73%0.0334%0.336CS..SBendtrans-13185.2-179.3-16675.7172.9-150-1.4110.3P10 A11 V13 A109 G110 L111 I136 R137 G142 A143P10-R140 VanDerWaalsContact CB-CZ 3.47Å; A11-R140 PolarHBondContact O-NH1 3.36Å; V13-R140 HydrophobicContact CG2-CB 4.45Å; A109-R140 PolarHBondContact O-NH2 3.11Å; G110-R140 PolarHBondContact O-NE 2.84Å; L111-R140 HydrophobicContact CD2-CG 3.93Å; I136-R140 PolarHBondContact O-N 3.35Å; R137-R140 CarbonylContact O-C 3.58Å; R137-R140 PolarHBondContact O-N 3.39Å; R140-G142 PolarHBondContact O-N 2.97Å; R140-A143 HydrophobicContact CB-CB 4.45Å; R140-A143 WeakPolarHBondContact O-CB 3.24Å; R140-A143 PolarHBondContact O-N 3.34Å; R140-A143 VanDerWaalsContact O-N 3.14Å
141R88.8Confident94Very high232 Ų23266.3 Ų66.388%0.87532%0.323SS*.THydrogen-bonded Turntrans-57.2132.7177.4-168.2174.771.7-178.62.2110.3R137R137-R141 PolarHBondContact O-N 3.33Å
142G87.5Confident94Very high56 Ų5662.5 Ų62.558%0.57730%0.303SS*.THydrogen-bonded Turntrans85.88.4-178.500000114.9R140R140-G142 PolarHBondContact O-N 2.97Å
143A91.3Very high94Very high0 Ų067.4 Ų67.40%033%0.326CS..  trans-61.8141.5170.100000111.6L111 P115 I136 R137 R140L111-A143 WeakPolarHBondContact O-CA 3.47Å; P115-A143 HydrophobicContact CB-CB 4.18Å; P115-A143 HydrophobicContact CG-CB 4.24Å; I136-A143 HydrophobicContact CG2-CB 3.88Å; R137-A143 HydrophobicContact CG-CB 4.19Å; R137-A143 PolarHBondContact NE-O 3.25Å; R137-A143 PolarHBondContact NH2-O 3.19Å; R137-A143 VanDerWaalsContact NH2-O 3.16Å; R140-A143 HydrophobicContact CB-CB 4.45Å; R140-A143 WeakPolarHBondContact O-CB 3.24Å; R140-A143 PolarHBondContact O-N 3.34Å; R140-A143 VanDerWaalsContact O-N 3.14Å
144F92.1Very high94Very high13 Ų1373.4 Ų73.46%0.05735%0.351CS..  trans69.9132178.6-42.5-70000115.8L111 P115 V116 A119 V133 I136 R137 Q148 L149 L152L111-F144 PolarHBondContact O-N 3.43Å; P115-F144 VanDerWaalsContact C-CE1 3.48Å; P115-F144 HydrophobicContact CB-CD1 4.22Å; P115-F144 HydrophobicContact CB-CE1 3.57Å; P115-F144 HydrophobicContact CB-CZ 3.78Å; P115-F144 WeakPolarHBondContact O-CE1 3.37Å; V116-F144 HydrophobicContact CG2-CD1 3.84Å; V116-F144 HydrophobicContact CG2-CE1 4.01Å; A119-F144 HydrophobicContact CB-CE1 4.1Å; A119-F144 HydrophobicContact CB-CZ 3.94Å; V133-F144 HydrophobicContact CB-CE2 4.43Å; V133-F144 HydrophobicContact CG1-CD2 4.11Å; V133-F144 HydrophobicContact CG1-CE2 4.34Å; V133-F144 HydrophobicContact CG2-CD2 4.33Å; V133-F144 HydrophobicContact CG2-CE2 4.24Å; I136-F144 HydrophobicContact CB-CE2 4.02Å; I136-F144 HydrophobicContact CB-CZ 4.15Å; I136-F144 HydrophobicContact CD1-CE2 4.42Å; I136-F144 HydrophobicContact CD1-CZ 3.75Å; I136-F144 HydrophobicContact CG2-CE2 3.88Å; I136-F144 HydrophobicContact CG2-CZ 3.89Å; R137-F144 HydrophobicContact CG-CD2 4.48Å; R137-F144 PolarHBondContact NH2-O 3.12Å; F144-Q148 HydrophobicContact CB-CB 4.4Å; F144-L149 HydrophobicContact CB-CD2 3.73Å; F144-L149 HydrophobicContact CB-CG 3.94Å; F144-L149 HydrophobicContact CD2-CD2 4.25Å; F144-L149 HydrophobicContact CG-CD2 4.16Å; F144-L152 HydrophobicContact CD1-CD1 3.89Å; F144-L152 HydrophobicContact CE1-CD1 3.74Å; F144-L152 HydrophobicContact CG-CD1 4.5Å; F144-L152 HydrophobicContact CZ-CD1 4.27Å
145N92.2Very high94Very high59 Ų5969.2 Ų69.232%0.31633%0.33SS..  trans-91.3173.9163.47540.1000111.8G76 K147 Q148 L149G76-N145 WeakPolarHBondContact CA-ND2 3.29Å; G76-N145 PolarHBondContact O-ND2 3.43Å; N145-K147 VanDerWaalsContact C-N 3.34Å; N145-K147 PolarHBondContact O-N 3.25Å; N145-K147 WeakPolarHBondContact OD1-CA 3.35Å; N145-K147 WeakPolarHBondContact OD1-CB 3.46Å; N145-K147 PolarHBondContact OD1-N 2.93Å; N145-Q148 VanDerWaalsContact N-OE1 3.08Å; N145-Q148 PolarHBondContact O-N 2.93Å; N145-Q148 VanDerWaalsContact O-N 3.17Å; N145-Q148 PolarHBondContact OD1-N 3.49Å; N145-L149 WeakPolarHBondContact O-CG 3.39Å; N145-L149 PolarHBondContact O-N 2.9Å
146S92.9Very high94Very high101 Ų10176.2 Ų76.271%0.70636%0.355SS*.Hα-helixtrans-60.2-35.6-177.8-48.90000114.6L150S146-L150 WeakPolarHBondContact O-CB 3.42Å; S146-L150 PolarHBondContact O-N 3.03Å
147K93.9Very high93.9Very high155 Ų15578.7 Ų78.767%0.67437%0.371SS*.Hα-helixtrans-66.9-39.6177.1-64-178.6179.1179.10111.3N145 L150 Y151N145-K147 VanDerWaalsContact C-N 3.34Å; N145-K147 PolarHBondContact O-N 3.25Å; N145-K147 WeakPolarHBondContact OD1-CA 3.35Å; N145-K147 WeakPolarHBondContact OD1-CB 3.46Å; N145-K147 PolarHBondContact OD1-N 2.93Å; K147-L150 PolarHBondContact O-N 3.18Å; K147-Y151 PolarHBondContact O-N 2.97Å
148Q94.4Very high93.8Very high1 Ų180.6 Ų80.61%0.00538%0.382CS..Hα-helixtrans-71.1-39.1179.4-67.8172.3-33.100111.9V116 F144 N145 Y151 L152V116-Q148 HydrophobicContact CG2-CB 3.87Å; V116-Q148 HydrophobicContact CG2-CG 3.8Å; F144-Q148 HydrophobicContact CB-CB 4.4Å; N145-Q148 VanDerWaalsContact N-OE1 3.08Å; N145-Q148 PolarHBondContact O-N 2.93Å; N145-Q148 VanDerWaalsContact O-N 3.17Å; N145-Q148 PolarHBondContact OD1-N 3.49Å; Q148-Y151 PolarHBondContact O-N 3.48Å; Q148-L152 WeakPolarHBondContact O-CB 3.49Å; Q148-L152 VanDerWaalsContact O-CG 3.31Å; Q148-L152 WeakPolarHBondContact O-CG 3.31Å; Q148-L152 PolarHBondContact O-N 3.45Å
149L95.8Very high93.6Very high32 Ų3276.4 Ų76.417%0.16836%0.364CS..Hα-helixtrans-59.7-49171.9-69.9175.6000111.2Y129 V133 F144 N145 Y151 L152 E153Y129-L149 WeakPolarHBondContact OH-CB 3.49Å; Y129-L149 PolarHBondContact OH-O 3.13Å; V133-L149 HydrophobicContact CG1-CD2 3.79Å; V133-L149 HydrophobicContact CG2-CD2 3.84Å; F144-L149 HydrophobicContact CB-CD2 3.73Å; F144-L149 HydrophobicContact CB-CG 3.94Å; F144-L149 HydrophobicContact CD2-CD2 4.25Å; F144-L149 HydrophobicContact CG-CD2 4.16Å; N145-L149 WeakPolarHBondContact O-CG 3.39Å; N145-L149 PolarHBondContact O-N 2.9Å; L149-Y151 VanDerWaalsContact C-N 3.26Å; L149-Y151 PolarHBondContact O-N 3.02Å; L149-L152 PolarHBondContact O-N 3.4Å; L149-E153 WeakPolarHBondContact O-CB 3.43Å; L149-E153 PolarHBondContact O-N 3.03Å
150L96.6Very high93.4Very high82 Ų8275.6 Ų75.643%0.42936%0.358SS..Hα-helixtrans-60.8-36.8177.9-174.867.2000112.4S146 K147 K154S146-L150 WeakPolarHBondContact O-CB 3.42Å; S146-L150 PolarHBondContact O-N 3.03Å; K147-L150 PolarHBondContact O-N 3.18Å; L150-K154 HydrophobicContact CD1-CD 4.45Å; L150-K154 HydrophobicContact CG-CD 4.4Å; L150-K154 WeakPolarHBondContact O-CG 3.4Å; L150-K154 PolarHBondContact O-N 3.21Å
151Y96.9Very high93.5Very high53 Ų5375.2 Ų75.221%0.20836%0.357CS..Hα-helixtrans-64.5-49174.6168.6-103.3000111.7P78 P79 V116 L120 K147 Q148 L149 E153 K154 Y155P78-Y151 HydrophobicContact CB-CD1 3.99Å; P78-Y151 HydrophobicContact CB-CD2 3.45Å; P78-Y151 VanDerWaalsContact CB-CD2 3.45Å; P78-Y151 HydrophobicContact CB-CE1 4.39Å; P78-Y151 HydrophobicContact CB-CE2 3.89Å; P78-Y151 HydrophobicContact CB-CG 3.51Å; P78-Y151 HydrophobicContact CG-CD2 4.35Å; P79-Y151 HydrophobicContact CG-CE1 4.01Å; V116-Y151 HydrophobicContact CG1-CD1 4.3Å; V116-Y151 HydrophobicContact CG1-CE1 4.25Å; L120-Y151 HydrophobicContact CD1-CE1 4.19Å; L120-Y151 HydrophobicContact CD2-CE1 3.98Å; L120-Y151 HydrophobicContact CG-CE1 4.41Å; K147-Y151 PolarHBondContact O-N 2.97Å; Q148-Y151 PolarHBondContact O-N 3.48Å; L149-Y151 VanDerWaalsContact C-N 3.26Å; L149-Y151 PolarHBondContact O-N 3.02Å; Y151-E153 VanDerWaalsContact C-N 3.35Å; Y151-E153 PolarHBondContact O-N 3.16Å; Y151-K154 PolarHBondContact O-N 2.96Å; Y151-Y155 PolarHBondContact O-N 3.12Å
152L97Very high93.2Very high1 Ų171.7 Ų71.71%0.00534%0.343CS..Hα-helixtrans-65.6-36.6-179.4-70.8172.1000112.3V116 A119 L120 Y129 V133 F144 Q148 L149 K154 Y155V116-L152 HydrophobicContact CG1-CD2 4.36Å; A119-L152 HydrophobicContact CB-CD1 3.83Å; A119-L152 HydrophobicContact CB-CD2 3.83Å; L120-L152 HydrophobicContact CD2-CD2 4.13Å; L120-L152 HydrophobicContact CG-CD2 4.18Å; Y129-L152 HydrophobicContact CD2-CB 3.53Å; Y129-L152 HydrophobicContact CE2-CB 3.45Å; Y129-L152 VanDerWaalsContact CE2-CB 3.45Å; V133-L152 HydrophobicContact CG2-CD1 4.3Å; F144-L152 HydrophobicContact CD1-CD1 3.89Å; F144-L152 HydrophobicContact CE1-CD1 3.74Å; F144-L152 HydrophobicContact CG-CD1 4.5Å; F144-L152 HydrophobicContact CZ-CD1 4.27Å; Q148-L152 WeakPolarHBondContact O-CB 3.49Å; Q148-L152 VanDerWaalsContact O-CG 3.31Å; Q148-L152 WeakPolarHBondContact O-CG 3.31Å; Q148-L152 PolarHBondContact O-N 3.45Å; L149-L152 PolarHBondContact O-N 3.4Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 3.4Å; L152-Y155 WeakPolarHBondContact O-CB 3.43Å; L152-Y155 PolarHBondContact O-N 2.97Å
153E97.2Very high92.7Very high103 Ų10370.8 Ų70.848%0.48132%0.323SS..Hα-helixtrans-61.6-39.7174.8-178.2-177.8-153.400112.1Y129 L149 Y151Y129-E153 HydrophobicContact CD1-CB 4.05Å; Y129-E153 HydrophobicContact CD1-CG 4.27Å; Y129-E153 HydrophobicContact CE1-CB 3.72Å; Y129-E153 HydrophobicContact CE1-CG 4.06Å; Y129-E153 HydrophobicContact CE2-CB 4.32Å; Y129-E153 HydrophobicContact CG-CB 4.46Å; L149-E153 WeakPolarHBondContact O-CB 3.43Å; L149-E153 PolarHBondContact O-N 3.03Å; Y151-E153 VanDerWaalsContact C-N 3.35Å; Y151-E153 PolarHBondContact O-N 3.16Å
154K97.1Very high91.4Very high137 Ų13780 Ų8060%0.59636%0.363SS*.Hα-helixtrans-83.3-13.7179.4-68.8179-178.7-179.10113.4L150 Y151 L152 R156L150-K154 HydrophobicContact CD1-CD 4.45Å; L150-K154 HydrophobicContact CG-CD 4.4Å; L150-K154 WeakPolarHBondContact O-CG 3.4Å; L150-K154 PolarHBondContact O-N 3.21Å; Y151-K154 PolarHBondContact O-N 2.96Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 3.4Å; K154-R156 PolarHBondContact O-N 3.46Å
155Y97.6Very high89.5Confident30 Ų3086.8 Ų86.812%0.11840%0.4CS..  trans-62.7135.6-178.4-172.5-101.2000110.7V84 L120 L123 E124 Y151 L152 P157V84-Y155 HydrophobicContact CG1-CE2 4.37Å; L120-Y155 HydrophobicContact CD2-CD1 3.77Å; L120-Y155 HydrophobicContact CD2-CD2 3.54Å; L120-Y155 HydrophobicContact CD2-CE1 3.78Å; L120-Y155 HydrophobicContact CD2-CE2 3.55Å; L120-Y155 HydrophobicContact CD2-CG 3.65Å; L123-Y155 HydrophobicContact CB-CD1 4.35Å; L123-Y155 HydrophobicContact CD2-CD1 3.85Å; L123-Y155 HydrophobicContact CD2-CG 4.49Å; E124-Y155 HydrophobicContact CG-CE1 4.21Å; E124-Y155 WeakPolarHBondContact OE1-CE1 3.36Å; E124-Y155 PolarHBondContact OE1-OH 2.85Å; Y151-Y155 PolarHBondContact O-N 3.12Å; L152-Y155 WeakPolarHBondContact O-CB 3.43Å; L152-Y155 PolarHBondContact O-N 2.97Å; Y155-P157 HydrophobicContact CD1-CB 4.46Å; Y155-P157 HydrophobicContact CE1-CB 4.06Å
156R96.3Very high87.2Confident195 Ų19591.4 Ų91.474%0.73643%0.425SS*.  trans-114.2101.8177.9-66.3-60.5-176.6-133.24.4108.7K154K154-R156 PolarHBondContact O-N 3.46Å
157P94.2Very high84.7Confident52 Ų5289.3 Ų89.334%0.33842%0.419SS..  trans-65.2142.6-176.626.2-32.9000111.1L123 E124 Y155 M159L123-P157 WeakPolarHBondContact O-CB 3.42Å; E124-P157 HydrophobicContact CG-CB 4.44Å; E124-P157 WeakPolarHBondContact OE1-CA 3.41Å; Y155-P157 HydrophobicContact CD1-CB 4.46Å; Y155-P157 HydrophobicContact CE1-CB 4.06Å; P157-M159 VanDerWaalsContact C-N 3.33Å; P157-M159 HydrophobicContact CB-SD 4.05Å; P157-M159 HydrophobicContact CG-SD 4.1Å
158K92.9Very high82.2Confident139 Ų13990.7 Ų90.760%0.60443%0.428SS*.  trans-91.90.8174.6-63179-172.2171.40112.2E124 R160E124-K158 PolarHBondContact OE1-N 3.38Å; E124-K158 PolarHBondContact OE2-N 3.29Å; E124-K158 VanDerWaalsContact OE2-N 3.14Å; K158-R160 VanDerWaalsContact C-N 3.32Å; K158-R160 HydrophobicContact CB-CG 3.94Å; K158-R160 PolarHBondContact O-N 3.48Å
159M90.3Very high79.8Confident64 Ų6497.6 Ų97.632%0.31547%0.465SS..  trans61.236.6-180-50.5-57.2-62.700113.2E124 G126 P157 L161 R162E124-M159 CarbonylContact O-C 3.5Å; E124-M159 WeakPolarHBondContact O-CA 3.25Å; E124-M159 PolarHBondContact OE2-N 3.34Å; G126-M159 VanDerWaalsContact CA-CE 3.49Å; P157-M159 VanDerWaalsContact C-N 3.33Å; P157-M159 HydrophobicContact CB-SD 4.05Å; P157-M159 HydrophobicContact CG-SD 4.1Å; M159-L161 VanDerWaalsContact C-N 3.28Å; M159-L161 PolarHBondContact O-N 3.03Å; M159-R162 HydrophobicContact CE-CG 3.96Å; M159-R162 VanDerWaalsContact CE-CZ 3.41Å
160R88.3Confident77.3Confident75 Ų75101.9 Ų101.928%0.28350%0.496SS..THydrogen-bonded Turntrans-74.2-16.6-174.9-70.5-175.9-81.6-173.8-9.5114D85 L88 E124 K158D85-R160 IonicContact OD1-CZ 3.33Å; D85-R160 IonicContact OD1-NH1 3.48Å; D85-R160 PolarHBondContact OD1-NH1 2.96Å; D85-R160 IonicContact OD1-NH2 2.94Å; D85-R160 PolarHBondContact OD1-NH2 3.12Å; L88-R160 VanDerWaalsContact CD1-CZ 3.46Å; E124-R160 PolarHBondContact OE2-N 3.24Å; K158-R160 VanDerWaalsContact C-N 3.32Å; K158-R160 HydrophobicContact CB-CG 3.94Å; K158-R160 PolarHBondContact O-N 3.48Å
161L89.9Confident75Confident0 Ų0102.2 Ų102.20%050%0.504CS..THydrogen-bonded Turntrans-113.723.3-175.3-61.1-179.7000113.2M20 L88 L91 N92 A121 E124 M159 F163M20-L161 HydrophobicContact SD-CB 4.26Å; M20-L161 HydrophobicContact SD-CD1 3.9Å; L88-L161 HydrophobicContact CD2-CD1 3.62Å; L88-L161 HydrophobicContact CD2-CG 4.25Å; L91-L161 HydrophobicContact CB-CD1 4.12Å; L91-L161 HydrophobicContact CB-CD2 3.93Å; L91-L161 HydrophobicContact CD1-CD1 3.75Å; N92-L161 HydrophobicContact CB-CD2 3.8Å; A121-L161 HydrophobicContact CB-CD1 4.01Å; E124-L161 HydrophobicContact CB-CB 4.14Å; E124-L161 HydrophobicContact CB-CD1 4.01Å; E124-L161 HydrophobicContact CB-CG 4.03Å; E124-L161 PolarHBondContact O-N 3.45Å; M159-L161 VanDerWaalsContact C-N 3.28Å; M159-L161 PolarHBondContact O-N 3.03Å; L161-F163 HydrophobicContact CB-CE2 4.11Å; L161-F163 HydrophobicContact CB-CZ 4.41Å; L161-F163 HydrophobicContact CD2-CZ 4.07Å; L161-F163 WeakPolarHBondContact O-CD2 3.46Å; L161-F163 WeakPolarHBondContact O-CE2 3.44Å; L161-F163 PolarHBondContact O-N 2.9Å; L161-F163 VanDerWaalsContact O-N 3.08Å
162R83.5Confident72.8Confident158 Ų158106.2 Ų106.260%0.59653%0.534SS*.  trans-74.996165.1-80.4-169.5165178.63.7109.7M159 K164M159-R162 HydrophobicContact CE-CG 3.96Å; M159-R162 VanDerWaalsContact CE-CZ 3.41Å; R162-K164 PolarHBondContact O-N 2.96Å
163F77.1Confident70.2Confident36 Ų36118.7 Ų118.716%0.15859%0.592CS.*  trans-73.1108.3166.6-52.4-80.9000106A19 M20 F95 R96 L161 D165A19-F163 HydrophobicContact CB-CB 4.46Å; A19-F163 HydrophobicContact CB-CD2 4.15Å; A19-F163 HydrophobicContact CB-CG 4.22Å; M20-F163 HydrophobicContact CG-CD2 4.32Å; M20-F163 HydrophobicContact CG-CE2 3.49Å; M20-F163 VanDerWaalsContact CG-CE2 3.49Å; M20-F163 HydrophobicContact CG-CZ 4.21Å; M20-F163 HydrophobicContact SD-CE2 3.86Å; F95-F163 HydrophobicContact CB-CE1 3.89Å; F95-F163 HydrophobicContact CB-CZ 3.75Å; F95-F163 HydrophobicContact CD2-CZ 4.07Å; F95-F163 HydrophobicContact CG-CZ 4.4Å; R96-F163 HydrophobicContact CG-CD1 4.08Å; R96-F163 HydrophobicContact CG-CE1 3.97Å; L161-F163 HydrophobicContact CB-CE2 4.11Å; L161-F163 HydrophobicContact CB-CZ 4.41Å; L161-F163 HydrophobicContact CD2-CZ 4.07Å; L161-F163 WeakPolarHBondContact O-CD2 3.46Å; L161-F163 WeakPolarHBondContact O-CE2 3.44Å; L161-F163 PolarHBondContact O-N 2.9Å; L161-F163 VanDerWaalsContact O-N 3.08Å; F163-D165 PolarHBondContact O-N 3.49Å
164K63Low68.9Low193 Ų193119.5 Ų119.584%0.83960%0.598SS**  trans-58125.5172.3-78-176.9175.9-178.80107R162 N166R162-K164 PolarHBondContact O-N 2.96Å; K164-N166 PolarHBondContact O-N 3.4Å
165D52.4Low67.4Low156 Ų156118.5 Ų118.583%0.83460%0.598SS**  trans-53.2115.4154.3-95.2-51.2000105.7F163 G167F163-D165 PolarHBondContact O-N 3.49Å; D165-G167 PolarHBondContact O-N 3.05Å
166N43.6Very low65.7Low157 Ų157123.4 Ų123.484%0.8462%0.624SS**  trans-6688.6157.8-116.514000103.9K164 H168K164-N166 PolarHBondContact O-N 3.4Å; N166-H168 PolarHBondContact O-N 2.91Å; N166-H168 VanDerWaalsContact O-N 3.15Å
167G40.4Very low63.9Low56 Ų56119.2 Ų119.258%0.57762%0.618SS**  trans-47.3126.6-176.400000108.5D165 N169D165-G167 PolarHBondContact O-N 3.05Å; G167-N169 PolarHBondContact O-N 3.4Å
168H41.9Very low62.1Low185 Ų185123.4 Ų123.486%0.85664%0.635SS**  trans-46.9112.1154.4-80.4-141.4000106.3N166 C170N166-H168 PolarHBondContact O-N 2.91Å; N166-H168 VanDerWaalsContact O-N 3.15Å; H168-C170 PolarHBondContact O-N 3.38Å
169N43.9Very low60Low146 Ų146122.4 Ų122.478%0.78164%0.637SS**  trans-69.876.5171.6-151.324.8000106.3G167 C171G167-N169 PolarHBondContact O-N 3.4Å; N169-C171 PolarHBondContact O-N 3.49Å; N169-C171 PolarHBondContact OD1-SG 2.56Å
170C44.1Very low57.8Low121 Ų121126.6 Ų126.682%0.81866%0.66SS**  trans-82.171166.3-154.60000106.6H168 V172H168-C170 PolarHBondContact O-N 3.38Å; C170-V172 PolarHBondContact O-N 3.06Å
171C47.8Very low55.5Low90 Ų90130.5 Ų130.561%0.60869%0.689SS**  trans-72.4118.8163.5-62.40000107.2N169 Q173N169-C171 PolarHBondContact O-N 3.49Å; N169-C171 PolarHBondContact OD1-SG 2.56Å; C171-Q173 PolarHBondContact O-N 2.95Å
172V49.3Very low52.6Low137 Ų137141.4 Ų141.483%0.8375%0.747SS**  trans-54128.4158.4-178.20000108.7C170C170-V172 PolarHBondContact O-N 3.06Å
173Q44.4Very low49.8Very low262 Ų262139.9 Ų139.9100%1.22476%0.761SS**  trans-150.60138.9-147.6171.1-17.300110.5C171C171-Q173 PolarHBondContact O-N 2.95Å

Retrieved 173 of 173 residues in 129 ms (Link to these results)

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