A0AA82N8D8_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8D8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M86.8Confident82.3Confident87 Ų8783.1 Ų83.143%0.42942%0.424SS..  0139.10-179.3176.757.800109.7R3 V157 E158M1-R3 VanDerWaalsContact CE-NE 3.27Å; M1-R3 VanDerWaalsContact CE-NH2 3.33Å; M1-R3 HydrophobicContact CG-CG 4.19Å; M1-R3 HydrophobicContact SD-CG 4.33Å; M1-R3 VanDerWaalsContact SD-CZ 3.52Å; M1-R3 PolarHBondContact SD-NE 3.31Å; M1-R3 PolarHBondContact SD-NH2 2.69Å; M1-V157 WeakPolarHBondContact O-CA 3.43Å; M1-E158 HydrophobicContact CE-CB 4.21Å; M1-E158 HydrophobicContact CE-CG 4.27Å; M1-E158 WeakPolarHBondContact CE-OE2 3.28Å; M1-E158 PolarHBondContact N-O 3.46Å; M1-E158 PolarHBondContact O-N 2.79Å
2I87.8Confident80.7Confident52 Ų5279.7 Ų79.727%0.26741%0.413SS..EExtended strand (participates in β ladder)trans-121.6127.2175.8-56.6-177.7000107.5W150 T155 L156 V157I2-W150 HydrophobicContact CD1-CB 4.37Å; I2-W150 VanDerWaalsContact CD1-CD1 3.44Å; I2-W150 HydrophobicContact CD1-CG 3.94Å; I2-W150 HydrophobicContact CG2-CB 4.29Å; I2-W150 HydrophobicContact CG2-CD2 4.37Å; I2-W150 HydrophobicContact CG2-CG 4.24Å; I2-T155 HydrophobicContact CG2-CG2 3.79Å; I2-L156 CarbonylContact C-O 3.54Å; I2-L156 WeakPolarHBondContact CA-O 3.31Å; I2-V157 HydrophobicContact CG1-CG1 4.23Å; I2-V157 HydrophobicContact CG1-CG2 4.11Å; I2-V157 HydrophobicContact CG2-CG2 4.3Å
3R87.9Confident79.8Confident118 Ų11891.9 Ų91.945%0.44545%0.451SS..EExtended strand (participates in β ladder)trans-124.7139.2177.3-62.8-178.7178.8178.5-1.2109.4M1 Q6 T155 L156M1-R3 VanDerWaalsContact CE-NE 3.27Å; M1-R3 VanDerWaalsContact CE-NH2 3.33Å; M1-R3 HydrophobicContact CG-CG 4.19Å; M1-R3 HydrophobicContact SD-CG 4.33Å; M1-R3 VanDerWaalsContact SD-CZ 3.52Å; M1-R3 PolarHBondContact SD-NE 3.31Å; M1-R3 PolarHBondContact SD-NH2 2.69Å; R3-Q6 HydrophobicContact CB-CG 3.67Å; R3-T155 CarbonylContact O-C 3.53Å; R3-T155 WeakPolarHBondContact O-CA 3.48Å; R3-L156 PolarHBondContact N-O 2.99Å; R3-L156 PolarHBondContact O-N 3.36Å
4L88.1Confident79.8Confident59 Ų5995.3 Ų95.331%0.30947%0.467SS..SBendtrans-102163.7179.4-56.1-177.1000111Q6 W150 T155L4-Q6 PolarHBondContact O-N 3.3Å; L4-Q6 VanDerWaalsContact O-N 3.11Å; L4-Q6 PolarHBondContact O-NE2 3.21Å; L4-W150 HydrophobicContact CD1-CE3 4.47Å; L4-W150 HydrophobicContact CD1-CZ3 3.95Å; L4-W150 HydrophobicContact CD2-CE3 3.98Å; L4-W150 HydrophobicContact CD2-CZ3 4.28Å; L4-T155 HydrophobicContact CD2-CG2 4Å; L4-T155 WeakPolarHBondContact CD2-OG1 3.31Å
5N86.7Confident80.6Confident147 Ų14790.9 Ų90.979%0.78645%0.445SS*.SBendtrans52.435174.6-55.5-26.1000113.4G154N5-G154 PolarHBondContact N-O 3.08Å; N5-G154 VanDerWaalsContact N-O 3.14Å
6Q87.5Confident81.4Confident66 Ų6692.1 Ų92.131%0.30845%0.449SS..PPolyproline II helixtrans-81.7146.6177.9-59.6-60.7-74.800109.9R3 L4 Y112 G154 L156R3-Q6 HydrophobicContact CB-CG 3.67Å; L4-Q6 PolarHBondContact O-N 3.3Å; L4-Q6 VanDerWaalsContact O-N 3.11Å; L4-Q6 PolarHBondContact O-NE2 3.21Å; Q6-Y112 HydrophobicContact CB-CE2 4.23Å; Q6-Y112 WeakPolarHBondContact O-CE2 3.24Å; Q6-Y112 PolarHBondContact O-OH 2.85Å; Q6-Y112 VanDerWaalsContact O-OH 3.07Å; Q6-G154 PolarHBondContact N-O 2.94Å; Q6-L156 HydrophobicContact CB-CB 4.08Å; Q6-L156 HydrophobicContact CG-CB 3.73Å; Q6-L156 HydrophobicContact CG-CD2 4.4Å
7T84.4Confident82.1Confident123 Ų12396.7 Ų96.776%0.75547%0.466SS*.PPolyproline II helixtrans-75.1155.7168.356.60000110.6
8F80.2Confident82.7Confident74 Ų7492.3 Ų92.333%0.32545%0.445SS..PPolyproline II helixtrans-49.6126.2175.8-177.6-107.3000110.6V11 T100 Y112 D114F8-V11 HydrophobicContact CE1-CB 3.71Å; F8-V11 HydrophobicContact CE1-CG2 4.2Å; F8-V11 HydrophobicContact CZ-CB 3.8Å; F8-V11 HydrophobicContact CZ-CG1 4.44Å; F8-V11 HydrophobicContact CZ-CG2 4.07Å; F8-T100 HydrophobicContact CE2-CG2 4.19Å; F8-T100 HydrophobicContact CZ-CG2 4.47Å; F8-Y112 HydrophobicContact CB-CE1 4.01Å; F8-Y112 AromaticContact CD2-CD1 3.62Å; F8-Y112 HydrophobicContact CD2-CD1 3.62Å; F8-Y112 AromaticContact CD2-CE1 3.54Å; F8-Y112 HydrophobicContact CD2-CE1 3.54Å; F8-Y112 HydrophobicContact CE2-CD1 4.23Å; F8-Y112 HydrophobicContact CG-CE1 4.26Å; F8-Y112 PolarHBondContact N-OH 3.07Å; F8-D114 WeakPolarHBondContact CD2-OD1 3.35Å; F8-D114 WeakPolarHBondContact CE2-OD1 3.25Å
9P74.7Confident83.1Confident24 Ų2493.7 Ų93.716%0.15647%0.466CS..PPolyproline II helixtrans-55.5146.7178.5-22.931.5000109.9V11 L102 Y112 L156P9-V11 VanDerWaalsContact C-N 3.27Å; P9-V11 HydrophobicContact CB-CG2 4.24Å; P9-V11 PolarHBondContact O-N 3.37Å; P9-L102 HydrophobicContact CB-CD2 4.3Å; P9-Y112 VanDerWaalsContact CD-CG 3.46Å; P9-Y112 HydrophobicContact CG-CD2 4.16Å; P9-Y112 HydrophobicContact CG-CG 3.99Å; P9-L156 HydrophobicContact CG-CD1 4.2Å
10N71.1Confident83.5Confident157 Ų15793.1 Ų93.184%0.8447%0.471SS*.  trans-64.988.4178.8-169.4-2.1000110.6
11V69.8Low84.1Confident7 Ų792.8 Ų92.84%0.04247%0.471CS..  trans-111.2136.8178.81770000108.9F8 P9 R13 F15 Q79 A81 L102F8-V11 HydrophobicContact CE1-CB 3.71Å; F8-V11 HydrophobicContact CE1-CG2 4.2Å; F8-V11 HydrophobicContact CZ-CB 3.8Å; F8-V11 HydrophobicContact CZ-CG1 4.44Å; F8-V11 HydrophobicContact CZ-CG2 4.07Å; P9-V11 VanDerWaalsContact C-N 3.27Å; P9-V11 HydrophobicContact CB-CG2 4.24Å; P9-V11 PolarHBondContact O-N 3.37Å; V11-R13 PolarHBondContact O-N 2.82Å; V11-F15 HydrophobicContact CG1-CE2 3.75Å; V11-F15 HydrophobicContact CG1-CZ 3.57Å; V11-Q79 VanDerWaalsContact CA-NE2 3.33Å; V11-A81 HydrophobicContact CG1-CB 3.76Å; V11-L102 HydrophobicContact CG2-CD1 3.96Å; V11-L102 HydrophobicContact CG2-CD2 4.22Å
12S63.4Low84.5Confident42 Ų4292 Ų9229%0.29447%0.468SS..  trans-47.5115.3169.8160.80000109.2M14 F15 K76S12-M14 PolarHBondContact O-N 2.83Å; S12-F15 WeakPolarHBondContact O-CE2 3.45Å; S12-K76 WeakPolarHBondContact OG-CE 3.38Å
13R69.2Low84.8Confident239 Ų23992.8 Ų92.890%0.90248%0.478SS*.SBendtrans-62.3-12.5-178.7-67-175.7179.4174.7-0.5113.7V11 F15V11-R13 PolarHBondContact O-N 2.82Å; R13-F15 PolarHBondContact O-N 3.5Å
14M80Confident85.2Confident139 Ų13987.9 Ų87.969%0.68546%0.461SS*.  trans-78.4101.5173.5-59.9-176.77900110.7S12 S74S12-M14 PolarHBondContact O-N 2.83Å; M14-S74 WeakPolarHBondContact O-CB 3.46Å; M14-S74 PolarHBondContact O-OG 2.85Å
15F91.3Very high85.5Confident30 Ų3091.1 Ų91.113%0.13248%0.477CS..  trans-110.2145166.5-73.1-105.1000110.1V11 S12 R13 E72 F73 A81 R83 T100V11-F15 HydrophobicContact CG1-CE2 3.75Å; V11-F15 HydrophobicContact CG1-CZ 3.57Å; S12-F15 WeakPolarHBondContact O-CE2 3.45Å; R13-F15 PolarHBondContact O-N 3.5Å; F15-E72 HydrophobicContact CB-CB 3.87Å; F15-E72 HydrophobicContact CD1-CB 4.12Å; F15-E72 HydrophobicContact CG-CB 4.37Å; F15-F73 CarbonylContact C-O 3.51Å; F15-F73 VanDerWaalsContact CA-O 3.29Å; F15-F73 WeakPolarHBondContact CA-O 3.07Å; F15-A81 HydrophobicContact CE1-CB 3.81Å; F15-A81 HydrophobicContact CZ-CB 3.88Å; F15-R83 HydrophobicContact CD1-CB 4.31Å; F15-R83 HydrophobicContact CE1-CB 3.94Å; F15-T100 HydrophobicContact CZ-CG2 4.39Å
16E93Very high85.8Confident110 Ų11084.3 Ų84.351%0.51444%0.441SS..EExtended strand (participates in β ladder)trans-101134.4173.4-68.4166.5-142.100108.7E72 F73E16-E72 CarbonylContact O-C 3.58Å; E16-E72 WeakPolarHBondContact O-CA 3.19Å; E16-F73 HydrophobicContact CB-CD1 4.35Å; E16-F73 HydrophobicContact CB-CE1 3.82Å; E16-F73 HydrophobicContact CB-CZ 4.01Å; E16-F73 PolarHBondContact N-O 3.19Å; E16-F73 PolarHBondContact O-N 3.46Å; E16-F73 WeakPolarHBondContact OE2-CZ 3.21Å
17K94Very high86.1Confident170 Ų17087.3 Ų87.374%0.73945%0.453SS*.EExtended strand (participates in β ladder)trans-72.3139.7177.5-70.6178.5-179.3172.30110.2E72K17-E72 HydrophobicContact CG-CG 4.2Å
18L92.5Very high86.3Confident17 Ų1781.5 Ų81.59%0.08942%0.417CS..EExtended strand (participates in β ladder)trans-121.7118.4176.6-166.973.7000110.5S20 N22 I42 P44 C71 F73L18-S20 VanDerWaalsContact CG-O 3.3Å; L18-S20 WeakPolarHBondContact CG-O 3.07Å; L18-N22 HydrophobicContact CD1-CB 3.54Å; L18-N22 HydrophobicContact CD2-CB 4.18Å; L18-N22 HydrophobicContact CG-CB 4.41Å; L18-I42 HydrophobicContact CD2-CB 3.73Å; L18-I42 HydrophobicContact CD2-CD1 4.49Å; L18-I42 HydrophobicContact CD2-CG2 3.43Å; L18-I42 VanDerWaalsContact CD2-CG2 3.43Å; L18-P44 HydrophobicContact CD2-CG 4.2Å; L18-P44 HydrophobicContact CG-CG 4.34Å; L18-C71 HydrophobicContact CB-CB 4.37Å; L18-C71 PolarHBondContact N-O 2.9Å; L18-F73 HydrophobicContact CB-CD1 4.22Å; L18-F73 HydrophobicContact CD1-CE1 4.21Å
19S89.9Confident86.7Confident120 Ų12084 Ų8484%0.83943%0.428SS*.  trans-104.8-15.5-176.4-61.60000114.2
20S92.3Very high87.1Confident81 Ų8183.4 Ų83.457%0.56642%0.423SS*.SBendtrans-140.8165.1178.963.50000110.2L18 N22L18-S20 VanDerWaalsContact CG-O 3.3Å; L18-S20 WeakPolarHBondContact CG-O 3.07Å; S20-N22 PolarHBondContact O-N 3.11Å
21N95.2Very high87.7Confident87 Ų8782.7 Ų82.747%0.46541%0.412SS..  trans-52.5137.2173.8-61.5-9.9000110.4I42 F43 P44N21-I42 WeakPolarHBondContact CA-O 3.21Å; N21-F43 HydrophobicContact CB-CD1 4.35Å; N21-F43 HydrophobicContact CB-CE1 4.48Å; N21-F43 VanDerWaalsContact CG-CD1 3.49Å; N21-F43 WeakPolarHBondContact ND2-CD1 3.18Å; N21-P44 VanDerWaalsContact OD1-CD 3.23Å; N21-P44 WeakPolarHBondContact OD1-CD 3.2Å
22N94.8Very high88.2Confident70 Ų7082.4 Ų82.437%0.37441%0.411SS..EExtended strand (participates in β ladder)trans-148.4141.1-177.9-167.912000111.7L18 S20 I42L18-N22 HydrophobicContact CD1-CB 3.54Å; L18-N22 HydrophobicContact CD2-CB 4.18Å; L18-N22 HydrophobicContact CG-CB 4.41Å; S20-N22 PolarHBondContact O-N 3.11Å; N22-I42 PolarHBondContact N-O 3.23Å; N22-I42 VanDerWaalsContact N-O 3.13Å; N22-I42 PolarHBondContact O-N 2.82Å
23S95.9Very high88.8Confident69 Ų6982.8 Ų82.848%0.48341%0.408SS..EExtended strand (participates in β ladder)trans-100.9117.3176.8-69.40000109.4F40 D41S23-F40 CarbonylContact C-O 3.51Å; S23-F40 WeakPolarHBondContact CA-O 3.5Å; S23-D41 WeakPolarHBondContact CB-OD1 3.32Å; S23-D41 PolarHBondContact OG-OD1 3.04Å
24I94.3Very high89.1Confident15 Ų1574.2 Ų74.28%0.07739%0.394CS..EExtended strand (participates in β ladder)trans-117.2134-177.2-72156000110.3P26 F40 I42 F73 N75I24-P26 WeakPolarHBondContact O-CD 3.17Å; I24-F40 PolarHBondContact N-O 3.39Å; I24-F40 PolarHBondContact O-N 3.14Å; I24-I42 HydrophobicContact CD1-CD1 3.49Å; I24-I42 VanDerWaalsContact CD1-CD1 3.49Å; I24-I42 HydrophobicContact CD1-CG1 4.34Å; I24-F73 HydrophobicContact CD1-CD1 4.23Å; I24-F73 HydrophobicContact CD1-CD2 3.76Å; I24-F73 HydrophobicContact CD1-CE1 3.98Å; I24-F73 HydrophobicContact CD1-CE2 3.47Å; I24-F73 VanDerWaalsContact CD1-CE2 3.47Å; I24-F73 HydrophobicContact CD1-CG 4.14Å; I24-F73 HydrophobicContact CD1-CZ 3.6Å; I24-F73 HydrophobicContact CG1-CE2 4.43Å; I24-N75 HydrophobicContact CG2-CB 4.39Å; I24-N75 WeakPolarHBondContact CG2-ND2 3.34Å
25I94.9Very high89.2Confident126 Ų12669.8 Ų69.865%0.64638%0.375SS*.  trans-81.8120.1168.2-60.1173.6000108K27 N75I25-K27 PolarHBondContact O-N 3.4Å; I25-N75 PolarHBondContact O-ND2 2.83Å
26P93.3Very high89Confident5 Ų573.1 Ų73.13%0.03239%0.39CS..  trans-63.8129179.4-17.529.6000111.1I24 L28 I37 S38 F40I24-P26 WeakPolarHBondContact O-CD 3.17Å; P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 HydrophobicContact CB-CG 4.42Å; P26-I37 HydrophobicContact CG-CG2 3.84Å; P26-S38 WeakPolarHBondContact CD-O 3.27Å; P26-F40 HydrophobicContact CB-CD2 4.27Å; P26-F40 HydrophobicContact CB-CE2 3.69Å; P26-F40 HydrophobicContact CB-CZ 4.06Å; P26-F40 HydrophobicContact CG-CD1 4.25Å; P26-F40 HydrophobicContact CG-CD2 3.69Å; P26-F40 HydrophobicContact CG-CE1 4.05Å; P26-F40 HydrophobicContact CG-CE2 3.44Å; P26-F40 VanDerWaalsContact CG-CE2 3.44Å; P26-F40 HydrophobicContact CG-CG 4.09Å; P26-F40 HydrophobicContact CG-CZ 3.64Å
27K93.3Very high88.9Confident128 Ų12868 Ų6856%0.55737%0.367SS*.SBendtrans-73-24.2172.4-70.4-172.3-166.9166.30111.9I25 N75I25-K27 PolarHBondContact O-N 3.4Å; K27-N75 WeakPolarHBondContact CD-O 3.49Å; K27-N75 PolarHBondContact N-OD1 3.04Å
28L90.2Very high88.9Confident1 Ų162.7 Ų62.71%0.00535%0.351CS..SBendtrans-80.1134.2170.476.4109.5000109.4P26 F30 K76 K77 F80 I103P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 HydrophobicContact CB-CG 4.42Å; L28-F30 HydrophobicContact CD1-CB 3.72Å; L28-F30 HydrophobicContact CD1-CD1 3.09Å; L28-F30 HydrophobicContact CD1-CE1 3.75Å; L28-F30 HydrophobicContact CD1-CG 3.56Å; L28-F30 HydrophobicContact CG-CD1 4.1Å; L28-K76 PolarHBondContact N-O 3Å; L28-K77 WeakPolarHBondContact CB-O 3.41Å; L28-F80 HydrophobicContact CD2-CB 3.26Å; L28-I103 HydrophobicContact CD1-CG2 4.37Å
29K86.8Confident89.1Confident126 Ų12664.9 Ų64.955%0.54836%0.36SS..  trans-98.3113.9172.6-64.8-58.5-163.6163.20107.9E36K29-E36 IonicContact NZ-OE1 3.81Å; K29-E36 PolarHBondContact NZ-OE1 2.86Å; K29-E36 VanDerWaalsContact NZ-OE1 3.11Å
30F84.8Confident89.4Confident12 Ų1259.1 Ų59.15%0.05332%0.32CS..  trans-143.7156.9176.180-64.9000110.3L28 F32 I37 F40 I103L28-F30 HydrophobicContact CD1-CB 3.72Å; L28-F30 HydrophobicContact CD1-CD1 3.09Å; L28-F30 HydrophobicContact CD1-CE1 3.75Å; L28-F30 HydrophobicContact CD1-CG 3.56Å; L28-F30 HydrophobicContact CG-CD1 4.1Å; F30-F32 HydrophobicContact CE2-CB 4.25Å; F30-I37 HydrophobicContact CD1-CB 4.3Å; F30-I37 HydrophobicContact CD1-CG1 4.36Å; F30-I37 HydrophobicContact CE1-CB 3.7Å; F30-I37 HydrophobicContact CE1-CD1 4.45Å; F30-I37 HydrophobicContact CE1-CG1 3.68Å; F30-I37 HydrophobicContact CE1-CG2 4.07Å; F30-I37 HydrophobicContact CE2-CG1 4.04Å; F30-I37 HydrophobicContact CZ-CB 4.07Å; F30-I37 HydrophobicContact CZ-CD1 3.93Å; F30-I37 HydrophobicContact CZ-CG1 3.5Å; F30-I37 VanDerWaalsContact CZ-CG1 3.5Å; F30-I37 HydrophobicContact CZ-CG2 4.45Å; F30-I37 PolarHBondContact O-N 3.37Å; F30-F40 HydrophobicContact CE1-CE1 4.33Å; F30-F40 AromaticContact CE1-CZ 3.87Å; F30-F40 HydrophobicContact CE1-CZ 3.87Å; F30-F40 HydrophobicContact CZ-CE1 4.36Å; F30-F40 HydrophobicContact CZ-CZ 4.17Å; F30-I103 HydrophobicContact CD2-CG2 4.14Å; F30-I103 HydrophobicContact CE1-CG2 4.15Å; F30-I103 HydrophobicContact CE2-CG2 3.7Å; F30-I103 HydrophobicContact CZ-CD1 4.12Å; F30-I103 HydrophobicContact CZ-CG2 3.68Å
31K83Confident89.6Confident142 Ų14256.2 Ų56.262%0.61730%0.297SS*.EExtended strand (participates in β ladder)trans-105.4131172.2-65.8-177.5178.4-175.90108.8T35K31-T35 CarbonylContact C-O 3.49Å; K31-T35 VanDerWaalsContact CA-O 3.31Å; K31-T35 WeakPolarHBondContact CA-O 3.34Å
32F80.2Confident89.6Confident1 Ų152.1 Ų52.10%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-97.4108.1166.6-178.4-103.6000107.9F30 G34 T35 I37 I56 I109 F129 I142 I161F30-F32 HydrophobicContact CE2-CB 4.25Å; F32-G34 PolarHBondContact O-N 3.37Å; F32-T35 PolarHBondContact N-O 2.81Å; F32-T35 WeakPolarHBondContact O-CB 3.38Å; F32-T35 PolarHBondContact O-N 3.03Å; F32-I37 HydrophobicContact CB-CD1 4.03Å; F32-I37 HydrophobicContact CB-CG1 4.04Å; F32-I56 HydrophobicContact CB-CD1 4.13Å; F32-I56 HydrophobicContact CD1-CD1 3.84Å; F32-I56 HydrophobicContact CD1-CG1 4.45Å; F32-I56 HydrophobicContact CG-CD1 4.38Å; F32-I109 HydrophobicContact CD2-CD1 4.36Å; F32-I109 HydrophobicContact CE2-CD1 4.13Å; F32-F129 HydrophobicContact CD2-CZ 4.35Å; F32-F129 AromaticContact CE2-CE1 3.89Å; F32-F129 HydrophobicContact CE2-CE1 3.89Å; F32-F129 HydrophobicContact CE2-CE2 4.46Å; F32-F129 AromaticContact CE2-CZ 3.35Å; F32-F129 HydrophobicContact CE2-CZ 3.35Å; F32-F129 AromaticContact CZ-CE1 3.87Å; F32-F129 HydrophobicContact CZ-CE1 3.87Å; F32-F129 AromaticContact CZ-CZ 3.46Å; F32-F129 HydrophobicContact CZ-CZ 3.46Å; F32-F129 VanDerWaalsContact CZ-CZ 3.46Å; F32-I142 HydrophobicContact CZ-CD1 4.27Å; F32-I161 HydrophobicContact CD2-CD1 3.78Å; F32-I161 HydrophobicContact CE2-CD1 3.56Å
33H75.2Confident89.7Confident50 Ų5050.5 Ų50.523%0.23127%0.265CS..THydrogen-bonded Turntrans46.155.1-175.2-70.3-96.9000113.6T35 I133 I161H33-T35 PolarHBondContact O-N 3.09Å; H33-T35 VanDerWaalsContact O-N 3.09Å; H33-I133 HydrophobicContact CB-CB 4.17Å; H33-I133 HydrophobicContact CB-CG2 3.91Å; H33-I133 WeakPolarHBondContact CD2-CG2 3.4Å; H33-I133 VanDerWaalsContact CE1-CG2 3.47Å; H33-I133 WeakPolarHBondContact CE1-CG2 3.23Å; H33-I133 WeakPolarHBondContact ND1-CG2 3.09Å; H33-I133 WeakPolarHBondContact NE2-CG2 3.33Å; H33-I161 WeakPolarHBondContact CE1-CG2 2.99Å; H33-I161 WeakPolarHBondContact NE2-CG1 3.23Å; H33-I161 WeakPolarHBondContact NE2-CG2 3.48Å
34G76.3Confident89.7Confident59 Ų5948 Ų4861%0.60825%0.247SC*.THydrogen-bonded Turntrans77.7-16.3-179.800000115.1F32F32-G34 PolarHBondContact O-N 3.37Å
35T82Confident89.6Confident47 Ų4751.9 Ų51.929%0.28827%0.265SS..EExtended strand (participates in β ladder)trans-88.8120.7177.8-57.70000110.7K31 F32 H33 I37 I56K31-T35 CarbonylContact C-O 3.49Å; K31-T35 VanDerWaalsContact CA-O 3.31Å; K31-T35 WeakPolarHBondContact CA-O 3.34Å; F32-T35 PolarHBondContact N-O 2.81Å; F32-T35 WeakPolarHBondContact O-CB 3.38Å; F32-T35 PolarHBondContact O-N 3.03Å; H33-T35 PolarHBondContact O-N 3.09Å; H33-T35 VanDerWaalsContact O-N 3.09Å; T35-I37 PolarHBondContact O-N 3.09Å; T35-I56 HydrophobicContact CG2-CD1 4.09Å; T35-I56 HydrophobicContact CG2-CG2 4.2Å
36E87.6Confident89.6Confident99 Ų9946.1 Ų46.146%0.46324%0.237SC..EExtended strand (participates in β ladder)trans-67.7130.6170.9-173176.7177.500110K29 G52K29-E36 IonicContact NZ-OE1 3.81Å; K29-E36 PolarHBondContact NZ-OE1 2.86Å; K29-E36 VanDerWaalsContact NZ-OE1 3.11Å; E36-G52 WeakPolarHBondContact O-CA 3.5Å
37I91.1Very high89.8Confident4 Ų449.4 Ų49.42%0.02125%0.249CC..PPolyproline II helixtrans-79.9125.2175.8-63.3-104.3000108.5P26 F30 F32 T35 F40 L50 Y51 I56P26-I37 HydrophobicContact CG-CG2 3.84Å; F30-I37 HydrophobicContact CD1-CB 4.3Å; F30-I37 HydrophobicContact CD1-CG1 4.36Å; F30-I37 HydrophobicContact CE1-CB 3.7Å; F30-I37 HydrophobicContact CE1-CD1 4.45Å; F30-I37 HydrophobicContact CE1-CG1 3.68Å; F30-I37 HydrophobicContact CE1-CG2 4.07Å; F30-I37 HydrophobicContact CE2-CG1 4.04Å; F30-I37 HydrophobicContact CZ-CB 4.07Å; F30-I37 HydrophobicContact CZ-CD1 3.93Å; F30-I37 HydrophobicContact CZ-CG1 3.5Å; F30-I37 VanDerWaalsContact CZ-CG1 3.5Å; F30-I37 HydrophobicContact CZ-CG2 4.45Å; F30-I37 PolarHBondContact O-N 3.37Å; F32-I37 HydrophobicContact CB-CD1 4.03Å; F32-I37 HydrophobicContact CB-CG1 4.04Å; T35-I37 PolarHBondContact O-N 3.09Å; I37-F40 HydrophobicContact CD1-CE1 4.42Å; I37-F40 HydrophobicContact CG2-CD1 3.94Å; I37-F40 HydrophobicContact CG2-CE1 3.43Å; I37-F40 VanDerWaalsContact CG2-CE1 3.43Å; I37-F40 HydrophobicContact CG2-CZ 4.08Å; I37-L50 HydrophobicContact CD1-CB 3.99Å; I37-L50 HydrophobicContact CD1-CD1 4.44Å; I37-L50 HydrophobicContact CD1-CD2 4.5Å; I37-Y51 CarbonylContact C-O 3.57Å; I37-Y51 WeakPolarHBondContact CA-O 3.29Å; I37-I56 HydrophobicContact CD1-CD1 3.4Å; I37-I56 HydrophobicContact CD1-CG1 4.13Å; I37-I56 HydrophobicContact CG1-CD1 4.14Å
38S93.8Very high89.9Confident57 Ų5743.3 Ų43.340%0.39922%0.222SC..  trans-97.6-33.5179.863.90000112.4P26 Y51 G52P26-S38 WeakPolarHBondContact CD-O 3.27Å; S38-Y51 PolarHBondContact N-O 2.75Å; S38-Y51 PolarHBondContact OG-O 2.77Å; S38-G52 PolarHBondContact OG-O 2.9Å
39K95.3Very high90.2Very high63 Ų6344 Ų4427%0.27423%0.226SC..EExtended strand (participates in β ladder)trans-154.3144.2-169-174.6-179.269.7133.90112.1D41 Y51K39-D41 WeakPolarHBondContact CD-OD1 3.28Å; K39-D41 VanDerWaalsContact CE-OD1 3.22Å; K39-D41 WeakPolarHBondContact CE-OD1 3.37Å; K39-D41 IonicContact NZ-OD1 2.64Å; K39-D41 PolarHBondContact NZ-OD1 3.01Å; K39-D41 IonicContact NZ-OD2 3.82Å; K39-D41 PolarHBondContact NZ-OD2 3.01Å; K39-Y51 PolarHBondContact N-O 2.87Å; K39-Y51 PolarHBondContact O-N 2.97Å
40F96Very high90.6Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-111.2123.5163.7-60.5-37000108.9S23 I24 P26 F30 I37 I42 I48 D49 L50 F80 I103S23-F40 CarbonylContact C-O 3.51Å; S23-F40 WeakPolarHBondContact CA-O 3.5Å; I24-F40 PolarHBondContact N-O 3.39Å; I24-F40 PolarHBondContact O-N 3.14Å; P26-F40 HydrophobicContact CB-CD2 4.27Å; P26-F40 HydrophobicContact CB-CE2 3.69Å; P26-F40 HydrophobicContact CB-CZ 4.06Å; P26-F40 HydrophobicContact CG-CD1 4.25Å; P26-F40 HydrophobicContact CG-CD2 3.69Å; P26-F40 HydrophobicContact CG-CE1 4.05Å; P26-F40 HydrophobicContact CG-CE2 3.44Å; P26-F40 VanDerWaalsContact CG-CE2 3.44Å; P26-F40 HydrophobicContact CG-CG 4.09Å; P26-F40 HydrophobicContact CG-CZ 3.64Å; F30-F40 HydrophobicContact CE1-CE1 4.33Å; F30-F40 AromaticContact CE1-CZ 3.87Å; F30-F40 HydrophobicContact CE1-CZ 3.87Å; F30-F40 HydrophobicContact CZ-CE1 4.36Å; F30-F40 HydrophobicContact CZ-CZ 4.17Å; I37-F40 HydrophobicContact CD1-CE1 4.42Å; I37-F40 HydrophobicContact CG2-CD1 3.94Å; I37-F40 HydrophobicContact CG2-CE1 3.43Å; I37-F40 VanDerWaalsContact CG2-CE1 3.43Å; I37-F40 HydrophobicContact CG2-CZ 4.08Å; F40-I42 HydrophobicContact CB-CG1 4.38Å; F40-I48 HydrophobicContact CB-CG2 3.88Å; F40-I48 HydrophobicContact CD1-CG2 4.44Å; F40-I48 HydrophobicContact CG-CG2 4.34Å; F40-D49 WeakPolarHBondContact CA-O 3.41Å; F40-L50 HydrophobicContact CD1-CD2 3.37Å; F40-L50 HydrophobicContact CE1-CD2 3.38Å; F40-F80 HydrophobicContact CD2-CD1 4.11Å; F40-F80 AromaticContact CD2-CD2 3.78Å; F40-F80 HydrophobicContact CD2-CD2 3.78Å; F40-F80 AromaticContact CD2-CE1 3.98Å; F40-F80 HydrophobicContact CD2-CE1 3.98Å; F40-F80 AromaticContact CD2-CE2 3.64Å; F40-F80 HydrophobicContact CD2-CE2 3.64Å; F40-F80 HydrophobicContact CD2-CG 4.01Å; F40-F80 AromaticContact CD2-CZ 3.74Å; F40-F80 HydrophobicContact CD2-CZ 3.74Å; F40-F80 HydrophobicContact CE2-CB 3.97Å; F40-F80 AromaticContact CE2-CD1 3.69Å; F40-F80 HydrophobicContact CE2-CD1 3.69Å; F40-F80 AromaticContact CE2-CD2 3.65Å; F40-F80 HydrophobicContact CE2-CD2 3.65Å; F40-F80 HydrophobicContact CE2-CE1 4.04Å; F40-F80 AromaticContact CE2-CE2 4Å; F40-F80 HydrophobicContact CE2-CE2 4Å; F40-F80 AromaticContact CE2-CG 3.49Å; F40-F80 HydrophobicContact CE2-CG 3.49Å; F40-F80 VanDerWaalsContact CE2-CG 3.49Å; F40-F80 HydrophobicContact CE2-CZ 4.18Å; F40-F80 HydrophobicContact CZ-CD1 4.39Å; F40-F80 HydrophobicContact CZ-CG 4.43Å; F40-I103 HydrophobicContact CE1-CD1 4.24Å; F40-I103 HydrophobicContact CZ-CD1 3.86Å
41D96.9Very high91Very high19 Ų1940.2 Ų40.210%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-95.8109.4166.2-70.2-16.4000107.7S23 K39 F43 I48 D49 Y51S23-D41 WeakPolarHBondContact CB-OD1 3.32Å; S23-D41 PolarHBondContact OG-OD1 3.04Å; K39-D41 WeakPolarHBondContact CD-OD1 3.28Å; K39-D41 VanDerWaalsContact CE-OD1 3.22Å; K39-D41 WeakPolarHBondContact CE-OD1 3.37Å; K39-D41 IonicContact NZ-OD1 2.64Å; K39-D41 PolarHBondContact NZ-OD1 3.01Å; K39-D41 IonicContact NZ-OD2 3.82Å; K39-D41 PolarHBondContact NZ-OD2 3.01Å; D41-F43 HydrophobicContact CB-CE2 3.79Å; D41-F43 HydrophobicContact CB-CZ 4.26Å; D41-F43 WeakPolarHBondContact O-CD2 3.35Å; D41-I48 CarbonylContact O-C 3.53Å; D41-I48 VanDerWaalsContact O-CA 3.31Å; D41-I48 WeakPolarHBondContact O-CA 3.27Å; D41-D49 HydrophobicContact CB-CB 4.33Å; D41-D49 PolarHBondContact N-O 3.49Å; D41-D49 PolarHBondContact O-N 3.05Å; D41-Y51 HydrophobicContact CB-CE2 4.01Å; D41-Y51 WeakPolarHBondContact OD2-CE2 3.21Å
42I96.8Very high91.4Very high1 Ų133.9 Ų33.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-95.1126-177-52.6-175.5000109.2L18 N21 N22 I24 F40 I48 F73 F80 I82L18-I42 HydrophobicContact CD2-CB 3.73Å; L18-I42 HydrophobicContact CD2-CD1 4.49Å; L18-I42 HydrophobicContact CD2-CG2 3.43Å; L18-I42 VanDerWaalsContact CD2-CG2 3.43Å; N21-I42 WeakPolarHBondContact CA-O 3.21Å; N22-I42 PolarHBondContact N-O 3.23Å; N22-I42 VanDerWaalsContact N-O 3.13Å; N22-I42 PolarHBondContact O-N 2.82Å; I24-I42 HydrophobicContact CD1-CD1 3.49Å; I24-I42 VanDerWaalsContact CD1-CD1 3.49Å; I24-I42 HydrophobicContact CD1-CG1 4.34Å; F40-I42 HydrophobicContact CB-CG1 4.38Å; I42-I48 HydrophobicContact CG1-CG1 4.29Å; I42-I48 HydrophobicContact CG1-CG2 4.39Å; I42-I48 HydrophobicContact CG2-CG1 4.32Å; I42-F73 HydrophobicContact CD1-CB 4.18Å; I42-F73 HydrophobicContact CD1-CG 4.23Å; I42-F80 HydrophobicContact CD1-CE2 4.16Å; I42-F80 HydrophobicContact CD1-CZ 3.71Å; I42-I82 HydrophobicContact CD1-CD1 4.32Å; I42-I82 HydrophobicContact CG2-CD1 3.37Å
43F96.5Very high91.8Very high37 Ų3744.4 Ų44.416%0.16223%0.229CC..EExtended strand (participates in β ladder)trans-110.7110.7175.5-62.6-90.1000108.3N21 D41 E45 G46 Y47 D49N21-F43 HydrophobicContact CB-CD1 4.35Å; N21-F43 HydrophobicContact CB-CE1 4.48Å; N21-F43 VanDerWaalsContact CG-CD1 3.49Å; N21-F43 WeakPolarHBondContact ND2-CD1 3.18Å; D41-F43 HydrophobicContact CB-CE2 3.79Å; D41-F43 HydrophobicContact CB-CZ 4.26Å; D41-F43 WeakPolarHBondContact O-CD2 3.35Å; F43-E45 VanDerWaalsContact C-OE2 3.32Å; F43-E45 WeakPolarHBondContact CB-OE2 3.29Å; F43-E45 PolarHBondContact O-N 3.3Å; F43-G46 PolarHBondContact O-N 2.68Å; F43-G46 VanDerWaalsContact O-N 3.1Å; F43-Y47 HydrophobicContact CB-CD1 3.93Å; F43-Y47 HydrophobicContact CB-CD2 3.95Å; F43-Y47 HydrophobicContact CB-CE1 3.63Å; F43-Y47 HydrophobicContact CB-CE2 3.69Å; F43-Y47 HydrophobicContact CB-CG 4.07Å; F43-Y47 VanDerWaalsContact CB-CZ 3.49Å; F43-Y47 WeakPolarHBondContact CB-O 3.41Å; F43-Y47 AromaticContact CD1-CE2 3.95Å; F43-Y47 HydrophobicContact CD1-CE2 3.95Å; F43-Y47 AromaticContact CD1-CZ 3.74Å; F43-Y47 WeakPolarHBondContact CD1-OH 3.21Å; F43-Y47 AromaticContact CD2-CD2 3.49Å; F43-Y47 HydrophobicContact CD2-CD2 3.49Å; F43-Y47 VanDerWaalsContact CD2-CD2 3.49Å; F43-Y47 AromaticContact CD2-CE2 3.11Å; F43-Y47 HydrophobicContact CD2-CE2 3.11Å; F43-Y47 HydrophobicContact CD2-CG 4.4Å; F43-Y47 AromaticContact CD2-CZ 3.75Å; F43-Y47 HydrophobicContact CE1-CE2 4.37Å; F43-Y47 HydrophobicContact CE2-CD2 4.21Å; F43-Y47 AromaticContact CE2-CE2 3.62Å; F43-Y47 HydrophobicContact CE2-CE2 3.62Å; F43-Y47 AromaticContact CG-CD2 3.89Å; F43-Y47 HydrophobicContact CG-CD2 3.89Å; F43-Y47 HydrophobicContact CG-CE1 4.07Å; F43-Y47 AromaticContact CG-CE2 3.29Å; F43-Y47 HydrophobicContact CG-CE2 3.29Å; F43-Y47 AromaticContact CG-CZ 3.37Å; F43-Y47 HydrophobicContact CZ-CE2 4.22Å; F43-Y47 PolarHBondContact N-O 2.76Å; F43-Y47 PolarHBondContact O-N 2.69Å; F43-Y47 VanDerWaalsContact O-O 3.11Å; F43-D49 HydrophobicContact CE2-CB 4.32Å
44P94.6Very high92.6Very high16 Ų1647.3 Ų47.310%0.10424%0.241CC..THydrogen-bonded Turntrans-53.2-21.9-178.8-27.836.2000114.3L18 N21 G46 I69 C71L18-P44 HydrophobicContact CD2-CG 4.2Å; L18-P44 HydrophobicContact CG-CG 4.34Å; N21-P44 VanDerWaalsContact OD1-CD 3.23Å; N21-P44 WeakPolarHBondContact OD1-CD 3.2Å; P44-G46 PolarHBondContact O-N 3.31Å; P44-I69 WeakPolarHBondContact O-CG2 3.46Å; P44-C71 HydrophobicContact CB-CB 3.84Å; P44-C71 HydrophobicContact CG-CB 4.5Å
45E93.8Very high93.5Very high97 Ų9747.3 Ų47.345%0.45323%0.225SC..THydrogen-bonded Turntrans-65.4-10.9178.7-60.280.3-176.500114.3F43 Y47F43-E45 VanDerWaalsContact C-OE2 3.32Å; F43-E45 WeakPolarHBondContact CB-OE2 3.29Å; F43-E45 PolarHBondContact O-N 3.3Å; E45-Y47 HydrophobicContact CB-CE1 4.36Å
46G94.9Very high93.9Very high4 Ų445.3 Ų45.34%0.04121%0.213CC..THydrogen-bonded Turntrans12918.8171.200000115.5F43 P44 G60 F61F43-G46 PolarHBondContact O-N 2.68Å; F43-G46 VanDerWaalsContact O-N 3.1Å; P44-G46 PolarHBondContact O-N 3.31Å; G46-G60 CarbonylContact O-C 3.57Å; G46-G60 VanDerWaalsContact O-CA 3.3Å; G46-G60 WeakPolarHBondContact O-CA 3.39Å; G46-F61 WeakPolarHBondContact CA-O 3.34Å; G46-F61 PolarHBondContact O-N 2.82Å; G46-F61 VanDerWaalsContact O-O 3.05Å
47Y95.7Very high94.1Very high74 Ų7440.7 Ų40.729%0.2919%0.191SC..EExtended strand (participates in β ladder)trans-146.5160.7178.363.3-81.7000113.9F43 E45 K58 I59F43-Y47 HydrophobicContact CB-CD1 3.93Å; F43-Y47 HydrophobicContact CB-CD2 3.95Å; F43-Y47 HydrophobicContact CB-CE1 3.63Å; F43-Y47 HydrophobicContact CB-CE2 3.69Å; F43-Y47 HydrophobicContact CB-CG 4.07Å; F43-Y47 VanDerWaalsContact CB-CZ 3.49Å; F43-Y47 WeakPolarHBondContact CB-O 3.41Å; F43-Y47 AromaticContact CD1-CE2 3.95Å; F43-Y47 HydrophobicContact CD1-CE2 3.95Å; F43-Y47 AromaticContact CD1-CZ 3.74Å; F43-Y47 WeakPolarHBondContact CD1-OH 3.21Å; F43-Y47 AromaticContact CD2-CD2 3.49Å; F43-Y47 HydrophobicContact CD2-CD2 3.49Å; F43-Y47 VanDerWaalsContact CD2-CD2 3.49Å; F43-Y47 AromaticContact CD2-CE2 3.11Å; F43-Y47 HydrophobicContact CD2-CE2 3.11Å; F43-Y47 HydrophobicContact CD2-CG 4.4Å; F43-Y47 AromaticContact CD2-CZ 3.75Å; F43-Y47 HydrophobicContact CE1-CE2 4.37Å; F43-Y47 HydrophobicContact CE2-CD2 4.21Å; F43-Y47 AromaticContact CE2-CE2 3.62Å; F43-Y47 HydrophobicContact CE2-CE2 3.62Å; F43-Y47 AromaticContact CG-CD2 3.89Å; F43-Y47 HydrophobicContact CG-CD2 3.89Å; F43-Y47 HydrophobicContact CG-CE1 4.07Å; F43-Y47 AromaticContact CG-CE2 3.29Å; F43-Y47 HydrophobicContact CG-CE2 3.29Å; F43-Y47 AromaticContact CG-CZ 3.37Å; F43-Y47 HydrophobicContact CZ-CE2 4.22Å; F43-Y47 PolarHBondContact N-O 2.76Å; F43-Y47 PolarHBondContact O-N 2.69Å; F43-Y47 VanDerWaalsContact O-O 3.11Å; E45-Y47 HydrophobicContact CB-CE1 4.36Å; Y47-K58 HydrophobicContact CD2-CD 4.32Å; Y47-I59 CarbonylContact C-O 3.59Å; Y47-I59 WeakPolarHBondContact CA-O 3.39Å; Y47-I59 VanDerWaalsContact CB-O 3.23Å; Y47-I59 WeakPolarHBondContact CB-O 3.36Å
48I96.5Very high94.3Very high0 Ų044.1 Ų44.10%021%0.206CC..EExtended strand (participates in β ladder)trans-128.4130.9172.9-56.6163.8000107.8F40 D41 I42 L50 K58 I59 F80 I82 W84F40-I48 HydrophobicContact CB-CG2 3.88Å; F40-I48 HydrophobicContact CD1-CG2 4.44Å; F40-I48 HydrophobicContact CG-CG2 4.34Å; D41-I48 CarbonylContact O-C 3.53Å; D41-I48 VanDerWaalsContact O-CA 3.31Å; D41-I48 WeakPolarHBondContact O-CA 3.27Å; I42-I48 HydrophobicContact CG1-CG1 4.29Å; I42-I48 HydrophobicContact CG1-CG2 4.39Å; I42-I48 HydrophobicContact CG2-CG1 4.32Å; I48-L50 HydrophobicContact CG2-CD2 4.19Å; I48-K58 CarbonylContact O-C 3.54Å; I48-K58 VanDerWaalsContact O-CA 3.31Å; I48-K58 WeakPolarHBondContact O-CA 3.45Å; I48-I59 HydrophobicContact CB-CB 4.47Å; I48-I59 PolarHBondContact N-O 3.21Å; I48-I59 PolarHBondContact O-N 3.08Å; I48-F80 HydrophobicContact CD1-CE1 3.82Å; I48-F80 HydrophobicContact CD1-CZ 4.26Å; I48-I82 HydrophobicContact CD1-CB 4.02Å; I48-I82 HydrophobicContact CD1-CD1 3.59Å; I48-I82 HydrophobicContact CD1-CG1 4.42Å; I48-I82 HydrophobicContact CD1-CG2 3.55Å; I48-I82 HydrophobicContact CG1-CD1 3.73Å; I48-W84 HydrophobicContact CD1-CH2 4.04Å; I48-W84 HydrophobicContact CD1-CZ2 4.35Å; I48-W84 HydrophobicContact CG1-CH2 4.06Å; I48-W84 HydrophobicContact CG1-CZ2 3.99Å
49D96.2Very high94.3Very high15 Ų1541.4 Ų41.48%0.0819%0.187CC..EExtended strand (participates in β ladder)trans-92.4132.5165.8-78.4-43.3000111.1F40 D41 F43 Y51 H55 K58F40-D49 WeakPolarHBondContact CA-O 3.41Å; D41-D49 HydrophobicContact CB-CB 4.33Å; D41-D49 PolarHBondContact N-O 3.49Å; D41-D49 PolarHBondContact O-N 3.05Å; F43-D49 HydrophobicContact CE2-CB 4.32Å; D49-Y51 HydrophobicContact CB-CD2 4.36Å; D49-Y51 HydrophobicContact CB-CE2 3.57Å; D49-H55 IonicContact OD1-CD2 3.11Å; D49-H55 IonicContact OD1-CE1 2.83Å; D49-H55 IonicContact OD1-NE2 2.96Å; D49-H55 PolarHBondContact OD1-NE2 2.9Å; D49-K58 WeakPolarHBondContact OD1-CE 3.4Å; D49-K58 IonicContact OD1-NZ 2.69Å
50L94.5Very high94.3Very high1 Ų138.8 Ų38.81%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-98.6128.5-178.4-58-176.5000109.8I37 F40 I48 I56 G57 I59 F129I37-L50 HydrophobicContact CD1-CB 3.99Å; I37-L50 HydrophobicContact CD1-CD1 4.44Å; I37-L50 HydrophobicContact CD1-CD2 4.5Å; F40-L50 HydrophobicContact CD1-CD2 3.37Å; F40-L50 HydrophobicContact CE1-CD2 3.38Å; I48-L50 HydrophobicContact CG2-CD2 4.19Å; L50-I56 HydrophobicContact CB-CG1 3.94Å; L50-I56 WeakPolarHBondContact O-CG1 3.3Å; L50-I56 PolarHBondContact O-N 2.8Å; L50-G57 PolarHBondContact N-O 3.02Å; L50-G57 PolarHBondContact O-N 3.48Å; L50-I59 HydrophobicContact CD1-CD1 3.77Å; L50-I59 HydrophobicContact CD1-CG1 4.38Å; L50-I59 HydrophobicContact CD2-CD1 3.63Å; L50-I59 HydrophobicContact CG-CD1 3.9Å; L50-F129 HydrophobicContact CD1-CE2 4.1Å
51Y94.8Very high94.3Very high58 Ų5839 Ų3923%0.22718%0.179CC..EExtended strand (participates in β ladder)trans-123136.2179.3-69.2-96.7000112.1I37 S38 K39 D41 D49 K54 H55I37-Y51 CarbonylContact C-O 3.57Å; I37-Y51 WeakPolarHBondContact CA-O 3.29Å; S38-Y51 PolarHBondContact N-O 2.75Å; S38-Y51 PolarHBondContact OG-O 2.77Å; K39-Y51 PolarHBondContact N-O 2.87Å; K39-Y51 PolarHBondContact O-N 2.97Å; D41-Y51 HydrophobicContact CB-CE2 4.01Å; D41-Y51 WeakPolarHBondContact OD2-CE2 3.21Å; D49-Y51 HydrophobicContact CB-CD2 4.36Å; D49-Y51 HydrophobicContact CB-CE2 3.57Å; Y51-K54 WeakPolarHBondContact CA-O 3.49Å; Y51-H55 HydrophobicContact CD1-CB 4.15Å; Y51-H55 HydrophobicContact CE1-CB 3.74Å; Y51-H55 AromaticContact CZ-CD2 3.82Å
52G90.9Very high94.3Very high9 Ų943.5 Ų43.59%0.09320%0.195CC..SBendtrans-103.7-116.8158.800000109.2E36 S38 K54E36-G52 WeakPolarHBondContact O-CA 3.5Å; S38-G52 PolarHBondContact OG-O 2.9Å; G52-K54 VanDerWaalsContact C-N 3.29Å; G52-K54 PolarHBondContact N-O 3.3Å
53K89.3Confident94.3Very high223 Ų22343.5 Ų43.597%0.9720%0.195SC*.SBendtrans-72.1-26164.8-66.4-174.8179.2-178.40112.8
54K91.8Very high94.2Very high110 Ų11044.1 Ų44.148%0.47820%0.2SC..SBendtrans-137.4175.8177.261.8-178-176.9177.10109.3Y51 G52 I56 E139Y51-K54 WeakPolarHBondContact CA-O 3.49Å; G52-K54 VanDerWaalsContact C-N 3.29Å; G52-K54 PolarHBondContact N-O 3.3Å; K54-I56 WeakPolarHBondContact O-CG2 3.39Å; K54-I56 PolarHBondContact O-N 3Å; K54-E139 WeakPolarHBondContact CE-OE2 3.41Å; K54-E139 IonicContact NZ-OE1 2.68Å; K54-E139 IonicContact NZ-OE2 2.84Å; K54-E139 PolarHBondContact NZ-OE2 3.35Å
55H93.5Very high94.2Very high59 Ų5951.3 Ų51.327%0.27323%0.225SC..EExtended strand (participates in β ladder)trans-60.2125.8169.4-178.6-87.4000109.8D49 Y51 G57 K132D49-H55 IonicContact OD1-CD2 3.11Å; D49-H55 IonicContact OD1-CE1 2.83Å; D49-H55 IonicContact OD1-NE2 2.96Å; D49-H55 PolarHBondContact OD1-NE2 2.9Å; Y51-H55 HydrophobicContact CD1-CB 4.15Å; Y51-H55 HydrophobicContact CE1-CB 3.74Å; Y51-H55 AromaticContact CZ-CD2 3.82Å; H55-G57 PolarHBondContact CE1-O 3.1Å; H55-G57 PolarHBondContact NE2-O 3.23Å; H55-K132 WeakPolarHBondContact O-CD 3.41Å
56I91.5Very high94.2Very high6 Ų648.1 Ų48.13%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-120.6-9.3-177.167.8171.6000113.9F32 T35 I37 L50 K54 G131 K132F32-I56 HydrophobicContact CB-CD1 4.13Å; F32-I56 HydrophobicContact CD1-CD1 3.84Å; F32-I56 HydrophobicContact CD1-CG1 4.45Å; F32-I56 HydrophobicContact CG-CD1 4.38Å; T35-I56 HydrophobicContact CG2-CD1 4.09Å; T35-I56 HydrophobicContact CG2-CG2 4.2Å; I37-I56 HydrophobicContact CD1-CD1 3.4Å; I37-I56 HydrophobicContact CD1-CG1 4.13Å; I37-I56 HydrophobicContact CG1-CD1 4.14Å; L50-I56 HydrophobicContact CB-CG1 3.94Å; L50-I56 WeakPolarHBondContact O-CG1 3.3Å; L50-I56 PolarHBondContact O-N 2.8Å; K54-I56 WeakPolarHBondContact O-CG2 3.39Å; K54-I56 PolarHBondContact O-N 3Å; I56-G131 CarbonylContact O-C 3.54Å; I56-G131 VanDerWaalsContact O-CA 3.28Å; I56-G131 WeakPolarHBondContact O-CA 3.44Å; I56-K132 PolarHBondContact O-N 3.09Å
57G92Very high94.3Very high1 Ų154.7 Ų54.71%0.0124%0.241CC..EExtended strand (participates in β ladder)trans175.9172-177.300000114L50 H55 S130L50-G57 PolarHBondContact N-O 3.02Å; L50-G57 PolarHBondContact O-N 3.48Å; H55-G57 PolarHBondContact CE1-O 3.1Å; H55-G57 PolarHBondContact NE2-O 3.23Å; G57-S130 CarbonylContact C-O 3.59Å; G57-S130 WeakPolarHBondContact CA-O 3.46Å
58K94.7Very high94.3Very high77 Ų7756.7 Ų56.734%0.33525%0.251SS..EExtended strand (participates in β ladder)trans-140.8139.2178.9178.9172.4-69.3-166.40110Y47 I48 D49 F129 S130Y47-K58 HydrophobicContact CD2-CD 4.32Å; I48-K58 CarbonylContact O-C 3.54Å; I48-K58 VanDerWaalsContact O-CA 3.31Å; I48-K58 WeakPolarHBondContact O-CA 3.45Å; D49-K58 WeakPolarHBondContact OD1-CE 3.4Å; D49-K58 IonicContact OD1-NZ 2.69Å; K58-F129 CarbonylContact O-C 3.47Å; K58-S130 PolarHBondContact N-O 2.71Å; K58-S130 PolarHBondContact N-OG 2Å; K58-S130 PolarHBondContact O-N 2.84Å
59I94.6Very high94.2Very high0 Ų059.3 Ų59.30%027%0.265CS..EExtended strand (participates in β ladder)trans-114.5133.4169.2-65.1137.9000106.9Y47 I48 L50 W84 F101 I103 F111 F129Y47-I59 CarbonylContact C-O 3.59Å; Y47-I59 WeakPolarHBondContact CA-O 3.39Å; Y47-I59 VanDerWaalsContact CB-O 3.23Å; Y47-I59 WeakPolarHBondContact CB-O 3.36Å; I48-I59 HydrophobicContact CB-CB 4.47Å; I48-I59 PolarHBondContact N-O 3.21Å; I48-I59 PolarHBondContact O-N 3.08Å; L50-I59 HydrophobicContact CD1-CD1 3.77Å; L50-I59 HydrophobicContact CD1-CG1 4.38Å; L50-I59 HydrophobicContact CD2-CD1 3.63Å; L50-I59 HydrophobicContact CG-CD1 3.9Å; I59-W84 HydrophobicContact CG2-CH2 4.31Å; I59-F101 HydrophobicContact CB-CE1 4.41Å; I59-F101 HydrophobicContact CB-CE2 4.3Å; I59-F101 HydrophobicContact CB-CZ 4.16Å; I59-F101 HydrophobicContact CD1-CD1 4.29Å; I59-F101 HydrophobicContact CD1-CE1 3.31Å; I59-F101 HydrophobicContact CD1-CE2 4.1Å; I59-F101 HydrophobicContact CD1-CZ 3.19Å; I59-F101 HydrophobicContact CG1-CE1 3.92Å; I59-F101 HydrophobicContact CG1-CE2 3.79Å; I59-F101 HydrophobicContact CG1-CZ 3.39Å; I59-F101 HydrophobicContact CG2-CD1 3.95Å; I59-F101 HydrophobicContact CG2-CD2 3.52Å; I59-F101 HydrophobicContact CG2-CE1 3.95Å; I59-F101 HydrophobicContact CG2-CE2 3.48Å; I59-F101 VanDerWaalsContact CG2-CE2 3.48Å; I59-F101 HydrophobicContact CG2-CG 3.74Å; I59-F101 HydrophobicContact CG2-CZ 3.73Å; I59-I103 HydrophobicContact CD1-CD1 4.3Å; I59-F111 HydrophobicContact CG2-CE1 3.95Å; I59-F111 HydrophobicContact CG2-CZ 3.81Å; I59-F129 HydrophobicContact CD1-CE2 4.48Å; I59-F129 HydrophobicContact CG1-CD2 3.59Å; I59-F129 HydrophobicContact CG1-CE2 3.9Å
60G95.2Very high94.3Very high8 Ų862.9 Ų62.98%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-136.2144.6179.400000112.6G46 S127 T128G46-G60 CarbonylContact O-C 3.57Å; G46-G60 VanDerWaalsContact O-CA 3.3Å; G46-G60 WeakPolarHBondContact O-CA 3.39Å; G60-S127 CarbonylContact O-C 3.59Å; G60-S127 VanDerWaalsContact O-CA 3.3Å; G60-S127 WeakPolarHBondContact O-CA 3.18Å; G60-T128 PolarHBondContact N-O 2.86Å; G60-T128 PolarHBondContact O-N 2.96Å
61F96.3Very high94.4Very high3 Ų363 Ų631%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-134.9131.8159.2177.5-134.2000108.8G46 V63 W84 F86 A99 Y113 I116 S126 S127 I151G46-F61 WeakPolarHBondContact CA-O 3.34Å; G46-F61 PolarHBondContact O-N 2.82Å; G46-F61 VanDerWaalsContact O-O 3.05Å; F61-V63 HydrophobicContact CE1-CG2 3.97Å; F61-V63 HydrophobicContact CE2-CG2 4.03Å; F61-V63 HydrophobicContact CZ-CG2 3.52Å; F61-W84 HydrophobicContact CB-CE3 4Å; F61-W84 HydrophobicContact CB-CZ3 4.24Å; F61-W84 HydrophobicContact CD1-CB 4.33Å; F61-F86 AromaticContact CD1-CD2 3.87Å; F61-F86 HydrophobicContact CD1-CD2 3.87Å; F61-F86 AromaticContact CD1-CE2 3.48Å; F61-F86 HydrophobicContact CD1-CE2 3.48Å; F61-F86 VanDerWaalsContact CD1-CE2 3.48Å; F61-F86 AromaticContact CE1-CD2 3.73Å; F61-F86 HydrophobicContact CE1-CD2 3.73Å; F61-F86 AromaticContact CE1-CE2 3.85Å; F61-F86 HydrophobicContact CE1-CE2 3.85Å; F61-F86 HydrophobicContact CG-CE2 4.21Å; F61-F86 WeakPolarHBondContact O-CZ 3.46Å; F61-A99 HydrophobicContact CD1-CB 3.58Å; F61-A99 HydrophobicContact CE1-CB 3.4Å; F61-A99 VanDerWaalsContact CE1-CB 3.4Å; F61-A99 HydrophobicContact CG-CB 4.31Å; F61-A99 HydrophobicContact CZ-CB 3.98Å; F61-Y113 HydrophobicContact CE2-CE1 4.21Å; F61-I116 HydrophobicContact CZ-CD1 3.97Å; F61-S126 CarbonylContact C-O 3.48Å; F61-S126 WeakPolarHBondContact CA-O 3.43Å; F61-S126 WeakPolarHBondContact CD2-O 3.38Å; F61-S127 WeakPolarHBondContact CD2-OG 3.3Å; F61-I151 HydrophobicContact CE2-CG2 4.21Å
62Y95.4Very high94.4Very high115 Ų11561.7 Ų61.745%0.45128%0.277SS..EExtended strand (participates in β ladder)trans-138.1138.4-176.7179.8-100.7000110.8D64 K125 S126Y62-D64 HydrophobicContact CE1-CB 4Å; Y62-K125 WeakPolarHBondContact O-CA 3.36Å; Y62-S126 PolarHBondContact N-O 2.8Å; Y62-S126 PolarHBondContact O-N 3.06Å
63V96.8Very high94.6Very high0 Ų062 Ų620%028%0.275CS..EExtended strand (participates in β ladder)trans-125.2119.6170.6-173.80000108.1F61 S66 F86 V88 A97 I120 K125F61-V63 HydrophobicContact CE1-CG2 3.97Å; F61-V63 HydrophobicContact CE2-CG2 4.03Å; F61-V63 HydrophobicContact CZ-CG2 3.52Å; V63-S66 PolarHBondContact O-OG 3.15Å; V63-F86 HydrophobicContact CB-CB 3.87Å; V63-F86 HydrophobicContact CB-CD1 4.16Å; V63-F86 HydrophobicContact CB-CD2 4.49Å; V63-F86 HydrophobicContact CB-CG 3.93Å; V63-F86 HydrophobicContact CG2-CB 3.87Å; V63-F86 HydrophobicContact CG2-CD1 4.43Å; V63-F86 HydrophobicContact CG2-CD2 3.9Å; V63-F86 HydrophobicContact CG2-CG 3.81Å; V63-V88 HydrophobicContact CG1-CG2 3.71Å; V63-A97 HydrophobicContact CG2-CB 4.26Å; V63-I120 HydrophobicContact CG1-CD1 3.96Å; V63-K125 HydrophobicContact CG1-CG 4.26Å; V63-K125 HydrophobicContact CG2-CG 4.33Å
64D94.7Very high94.9Very high50 Ų5051.5 Ų51.527%0.26723%0.23SC..THydrogen-bonded Turntrans-59.7149.8177.6-175.424.7000111.3Y62 S66 K124Y62-D64 HydrophobicContact CE1-CB 4Å; D64-S66 PolarHBondContact O-N 3.2Å; D64-S66 VanDerWaalsContact O-N 3.14Å; D64-K124 HydrophobicContact CB-CB 4.1Å; D64-K124 WeakPolarHBondContact CB-O 3.3Å; D64-K124 PolarHBondContact N-O 2.8Å
65R94.6Very high95Very high168 Ų16847 Ų4763%0.63421%0.211SC*.THydrogen-bonded Turntrans5918.2-179.5-54-58-173.4154.72.2116K67 V88 Y123R65-K67 PolarHBondContact O-N 2.82Å; R65-V88 HydrophobicContact CB-CG1 4.31Å; R65-Y123 HydrophobicContact CB-CD1 3.87Å; R65-Y123 HydrophobicContact CB-CE1 3.92Å; R65-Y123 HydrophobicContact CG-CD1 3.61Å; R65-Y123 HydrophobicContact CG-CE1 3.73Å
66S94.9Very high94.9Very high30 Ų3047.3 Ų47.321%0.2121%0.212CC..EExtended strand (participates in β ladder)trans-61.1128.7170.850.90000111.5V63 D64 F87V63-S66 PolarHBondContact O-OG 3.15Å; D64-S66 PolarHBondContact O-N 3.2Å; D64-S66 VanDerWaalsContact O-N 3.14Å; S66-F87 CarbonylContact C-O 3.54Å; S66-F87 WeakPolarHBondContact CA-O 3.32Å
67K95.9Very high94.9Very high141 Ų14155.1 Ų55.161%0.61325%0.246SC*.EExtended strand (participates in β ladder)trans-91.3-30178.7-62.2-64.8-171.7163.10112.2R65 F87 E89 L94R65-K67 PolarHBondContact O-N 2.82Å; K67-F87 PolarHBondContact N-O 2.85Å; K67-E89 VanDerWaalsContact CE-OE2 3.28Å; K67-E89 WeakPolarHBondContact CE-OE2 3.38Å; K67-E89 HydrophobicContact CG-CB 4.15Å; K67-E89 IonicContact NZ-OE2 3.65Å; K67-L94 HydrophobicContact CB-CD2 4.32Å; K67-L94 HydrophobicContact CG-CD2 4.4Å
68K95.3Very high94.9Very high116 Ų11663.3 Ų63.350%0.50428%0.281SS..EExtended strand (participates in β ladder)trans-144.6144.9-178.7177.4177-175169.30109F87K68-F87 HydrophobicContact CB-CB 4.09Å; K68-F87 HydrophobicContact CB-CD2 4.17Å; K68-F87 HydrophobicContact CB-CG 4.39Å; K68-F87 HydrophobicContact CD-CD2 4.41Å; K68-F87 HydrophobicContact CG-CD2 4.11Å; K68-F87 WeakPolarHBondContact O-CD2 3.27Å; K68-F87 PolarHBondContact O-N 2.85Å
69I96.4Very high94.8Very high55 Ų5561 Ų6128%0.28227%0.271SS..EExtended strand (participates in β ladder)trans-127.2135.3176.4-50.5170.2000107.6P44 S85 F86P44-I69 WeakPolarHBondContact O-CG2 3.46Å; I69-S85 CarbonylContact C-O 3.57Å; I69-S85 WeakPolarHBondContact CA-O 3.45Å; I69-F86 HydrophobicContact CD1-CD1 3.95Å; I69-F86 HydrophobicContact CD1-CE1 3.56Å; I69-F86 HydrophobicContact CD1-CZ 4.49Å; I69-F86 HydrophobicContact CG1-CD1 3.71Å; I69-F86 HydrophobicContact CG1-CE1 3.8Å; I69-F86 HydrophobicContact CG2-CD1 4.22Å; I69-F86 HydrophobicContact CG2-CE1 4.03Å; I69-F86 HydrophobicContact CG2-CZ 4.2Å
70K96.6Very high94.7Very high90 Ų9061 Ų6139%0.39127%0.271SS..EExtended strand (participates in β ladder)trans-112.9133.3166-64.4175.5-173169.10107.9W84 S85 F87K70-W84 CarbonylContact O-C 3.58Å; K70-W84 WeakPolarHBondContact O-CA 3.33Å; K70-S85 PolarHBondContact N-O 2.91Å; K70-S85 PolarHBondContact O-N 2.78Å; K70-F87 HydrophobicContact CB-CE2 4.37Å; K70-F87 HydrophobicContact CD-CE2 3.63Å; K70-F87 HydrophobicContact CD-CZ 3.83Å; K70-F87 HydrophobicContact CG-CE2 3.75Å; K70-F87 HydrophobicContact CG-CZ 4.45Å
71C96.8Very high94.7Very high4 Ų460.6 Ų60.63%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-119.3131.9176.1-178.40000108.7L18 P44L18-C71 HydrophobicContact CB-CB 4.37Å; L18-C71 PolarHBondContact N-O 2.9Å; P44-C71 HydrophobicContact CB-CB 3.84Å; P44-C71 HydrophobicContact CG-CB 4.5Å
72E95.6Very high94.7Very high31 Ų3160.5 Ų60.515%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-136.5142.3177-52.8174.5109.800108.9F15 E16 K17 I82 R83F15-E72 HydrophobicContact CB-CB 3.87Å; F15-E72 HydrophobicContact CD1-CB 4.12Å; F15-E72 HydrophobicContact CG-CB 4.37Å; E16-E72 CarbonylContact O-C 3.58Å; E16-E72 WeakPolarHBondContact O-CA 3.19Å; K17-E72 HydrophobicContact CG-CG 4.2Å; E72-I82 CarbonylContact O-C 3.55Å; E72-I82 WeakPolarHBondContact O-CA 3.46Å; E72-R83 PolarHBondContact N-O 2.94Å; E72-R83 PolarHBondContact O-N 2.97Å; E72-R83 IonicContact OE1-NH2 2.68Å; E72-R83 IonicContact OE2-CZ 2.69Å; E72-R83 IonicContact OE2-NE 3.83Å; E72-R83 PolarHBondContact OE2-NE 3.07Å; E72-R83 IonicContact OE2-NH2 3.17Å; E72-R83 PolarHBondContact OE2-NH2 2.85Å
73F95.1Very high94.7Very high14 Ų1457.6 Ų57.66%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-133.3159-179.576.8-80.7000112.4F15 E16 L18 I24 I42 N75 F80 A81 I82F15-F73 CarbonylContact C-O 3.51Å; F15-F73 VanDerWaalsContact CA-O 3.29Å; F15-F73 WeakPolarHBondContact CA-O 3.07Å; E16-F73 HydrophobicContact CB-CD1 4.35Å; E16-F73 HydrophobicContact CB-CE1 3.82Å; E16-F73 HydrophobicContact CB-CZ 4.01Å; E16-F73 PolarHBondContact N-O 3.19Å; E16-F73 PolarHBondContact O-N 3.46Å; E16-F73 WeakPolarHBondContact OE2-CZ 3.21Å; L18-F73 HydrophobicContact CB-CD1 4.22Å; L18-F73 HydrophobicContact CD1-CE1 4.21Å; I24-F73 HydrophobicContact CD1-CD1 4.23Å; I24-F73 HydrophobicContact CD1-CD2 3.76Å; I24-F73 HydrophobicContact CD1-CE1 3.98Å; I24-F73 HydrophobicContact CD1-CE2 3.47Å; I24-F73 VanDerWaalsContact CD1-CE2 3.47Å; I24-F73 HydrophobicContact CD1-CG 4.14Å; I24-F73 HydrophobicContact CD1-CZ 3.6Å; I24-F73 HydrophobicContact CG1-CE2 4.43Å; I42-F73 HydrophobicContact CD1-CB 4.18Å; I42-F73 HydrophobicContact CD1-CG 4.23Å; F73-N75 HydrophobicContact CD2-CB 4.22Å; F73-N75 HydrophobicContact CE2-CB 4.15Å; F73-F80 HydrophobicContact CD2-CE2 4.31Å; F73-A81 CarbonylContact C-O 3.49Å; F73-A81 VanDerWaalsContact CA-O 3.27Å; F73-A81 WeakPolarHBondContact CA-O 3.07Å; F73-I82 HydrophobicContact CB-CG1 4.5Å
74S94.6Very high94.7Very high3 Ų357.7 Ų57.72%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-135.2113.3174-162.20000109.4M14 F80 A81M14-S74 WeakPolarHBondContact O-CB 3.46Å; M14-S74 PolarHBondContact O-OG 2.85Å; S74-F80 CarbonylContact O-C 3.58Å; S74-F80 VanDerWaalsContact O-CA 3.32Å; S74-F80 WeakPolarHBondContact O-CA 3.16Å; S74-A81 PolarHBondContact N-O 2.69Å; S74-A81 PolarHBondContact O-N 3.34Å
75N93.8Very high94.8Very high15 Ų1555.3 Ų55.38%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-10897.2-179.4-175.314.9000110.4I24 I25 K27 F73 F80I24-N75 HydrophobicContact CG2-CB 4.39Å; I24-N75 WeakPolarHBondContact CG2-ND2 3.34Å; I25-N75 PolarHBondContact O-ND2 2.83Å; K27-N75 WeakPolarHBondContact CD-O 3.49Å; K27-N75 PolarHBondContact N-OD1 3.04Å; F73-N75 HydrophobicContact CD2-CB 4.22Å; F73-N75 HydrophobicContact CE2-CB 4.15Å; N75-F80 HydrophobicContact CB-CD2 4.19Å
76K92.8Very high94.9Very high67 Ų6747.3 Ų47.329%0.29121%0.213SC..  trans-121.6165.2-177-54.1-62.2-176.8-174.70110.9S12 L28 K78 Q79S12-K76 WeakPolarHBondContact OG-CE 3.38Å; L28-K76 PolarHBondContact N-O 3Å; K76-K78 VanDerWaalsContact C-N 3.3Å; K76-K78 PolarHBondContact O-N 3.47Å; K76-Q79 CarbonylContact C-O 3.5Å; K76-Q79 WeakPolarHBondContact CA-O 3.37Å; K76-Q79 PolarHBondContact N-O 3.22Å; K76-Q79 PolarHBondContact O-N 2.96Å
77K91.8Very high95.1Very high170 Ų17047 Ų4774%0.73921%0.208SC*.SBendtrans-64.8-28.5-177.6-69-175.4177.3-179.30114.3L28L28-K77 WeakPolarHBondContact CB-O 3.41Å
78K91.1Very high95.1Very high172 Ų17240.3 Ų40.375%0.74818%0.179SC*.SBendtrans-94.2-23.9-177.7-67.5-173.4178.2-178.20113.3K76 K105K76-K78 VanDerWaalsContact C-N 3.3Å; K76-K78 PolarHBondContact O-N 3.47Å; K78-K105 PolarHBondContact O-N 3.39Å
79Q92.1Very high95.2Very high29 Ų2939.1 Ų39.114%0.13618%0.175CC..EExtended strand (participates in β ladder)trans-162.9156.1-174.864.8-173.553.900112.1V11 K76 L102 I103V11-Q79 VanDerWaalsContact CA-NE2 3.33Å; K76-Q79 CarbonylContact C-O 3.5Å; K76-Q79 WeakPolarHBondContact CA-O 3.37Å; K76-Q79 PolarHBondContact N-O 3.22Å; K76-Q79 PolarHBondContact O-N 2.96Å; Q79-L102 HydrophobicContact CB-CD1 3.88Å; Q79-L102 HydrophobicContact CG-CD1 4.14Å; Q79-I103 CarbonylContact C-O 3.56Å; Q79-I103 WeakPolarHBondContact CA-O 3.42Å; Q79-I103 WeakPolarHBondContact CB-O 3.37Å
80F93.5Very high95.1Very high0 Ų037 Ų370%017%0.165CC..EExtended strand (participates in β ladder)trans-117.8131.5168.1171.5-92.2000107.6L28 F40 I42 I48 F73 S74 N75 I82 L102 I103L28-F80 HydrophobicContact CD2-CB 3.26Å; F40-F80 HydrophobicContact CD2-CD1 4.11Å; F40-F80 AromaticContact CD2-CD2 3.78Å; F40-F80 HydrophobicContact CD2-CD2 3.78Å; F40-F80 AromaticContact CD2-CE1 3.98Å; F40-F80 HydrophobicContact CD2-CE1 3.98Å; F40-F80 AromaticContact CD2-CE2 3.64Å; F40-F80 HydrophobicContact CD2-CE2 3.64Å; F40-F80 HydrophobicContact CD2-CG 4.01Å; F40-F80 AromaticContact CD2-CZ 3.74Å; F40-F80 HydrophobicContact CD2-CZ 3.74Å; F40-F80 HydrophobicContact CE2-CB 3.97Å; F40-F80 AromaticContact CE2-CD1 3.69Å; F40-F80 HydrophobicContact CE2-CD1 3.69Å; F40-F80 AromaticContact CE2-CD2 3.65Å; F40-F80 HydrophobicContact CE2-CD2 3.65Å; F40-F80 HydrophobicContact CE2-CE1 4.04Å; F40-F80 AromaticContact CE2-CE2 4Å; F40-F80 HydrophobicContact CE2-CE2 4Å; F40-F80 AromaticContact CE2-CG 3.49Å; F40-F80 HydrophobicContact CE2-CG 3.49Å; F40-F80 VanDerWaalsContact CE2-CG 3.49Å; F40-F80 HydrophobicContact CE2-CZ 4.18Å; F40-F80 HydrophobicContact CZ-CD1 4.39Å; F40-F80 HydrophobicContact CZ-CG 4.43Å; I42-F80 HydrophobicContact CD1-CE2 4.16Å; I42-F80 HydrophobicContact CD1-CZ 3.71Å; I48-F80 HydrophobicContact CD1-CE1 3.82Å; I48-F80 HydrophobicContact CD1-CZ 4.26Å; F73-F80 HydrophobicContact CD2-CE2 4.31Å; S74-F80 CarbonylContact O-C 3.58Å; S74-F80 VanDerWaalsContact O-CA 3.32Å; S74-F80 WeakPolarHBondContact O-CA 3.16Å; N75-F80 HydrophobicContact CB-CD2 4.19Å; F80-I82 HydrophobicContact CE1-CB 4.26Å; F80-I82 HydrophobicContact CZ-CB 4.49Å; F80-L102 WeakPolarHBondContact O-CA 3.01Å; F80-I103 HydrophobicContact CD1-CD1 4.41Å; F80-I103 PolarHBondContact N-O 3.39Å; F80-I103 PolarHBondContact O-N 3Å
81A94.9Very high94.9Very high0 Ų041.6 Ų41.60%019%0.187CC..EExtended strand (participates in β ladder)trans-126.4145.3175.500000110V11 F15 F73 S74 T100 F101 L102V11-A81 HydrophobicContact CG1-CB 3.76Å; F15-A81 HydrophobicContact CE1-CB 3.81Å; F15-A81 HydrophobicContact CZ-CB 3.88Å; F73-A81 CarbonylContact C-O 3.49Å; F73-A81 VanDerWaalsContact CA-O 3.27Å; F73-A81 WeakPolarHBondContact CA-O 3.07Å; S74-A81 PolarHBondContact N-O 2.69Å; S74-A81 PolarHBondContact O-N 3.34Å; A81-T100 HydrophobicContact CB-CG2 4.49Å; A81-F101 CarbonylContact C-O 3.52Å; A81-F101 VanDerWaalsContact CA-O 3.24Å; A81-F101 WeakPolarHBondContact CA-O 3.46Å; A81-L102 HydrophobicContact CB-CD1 3.94Å
82I95.3Very high94.7Very high0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-128.9141.9166.5-170.2164.6000108.1I42 I48 E72 F73 F80 W84 T100 F101I42-I82 HydrophobicContact CD1-CD1 4.32Å; I42-I82 HydrophobicContact CG2-CD1 3.37Å; I48-I82 HydrophobicContact CD1-CB 4.02Å; I48-I82 HydrophobicContact CD1-CD1 3.59Å; I48-I82 HydrophobicContact CD1-CG1 4.42Å; I48-I82 HydrophobicContact CD1-CG2 3.55Å; I48-I82 HydrophobicContact CG1-CD1 3.73Å; E72-I82 CarbonylContact O-C 3.55Å; E72-I82 WeakPolarHBondContact O-CA 3.46Å; F73-I82 HydrophobicContact CB-CG1 4.5Å; F80-I82 HydrophobicContact CE1-CB 4.26Å; F80-I82 HydrophobicContact CZ-CB 4.49Å; I82-W84 HydrophobicContact CD1-CD2 4.48Å; I82-W84 HydrophobicContact CD1-CH2 3.98Å; I82-W84 HydrophobicContact CD1-CZ2 3.41Å; I82-W84 VanDerWaalsContact CD1-CZ2 3.41Å; I82-W84 HydrophobicContact CG1-CD2 4.34Å; I82-W84 HydrophobicContact CG1-CH2 4.35Å; I82-W84 HydrophobicContact CG1-CZ2 4.06Å; I82-W84 HydrophobicContact CG2-CE3 4.09Å; I82-W84 HydrophobicContact CG2-CH2 3.55Å; I82-W84 HydrophobicContact CG2-CZ2 4.12Å; I82-W84 HydrophobicContact CG2-CZ3 3.52Å; I82-T100 CarbonylContact O-C 3.57Å; I82-T100 VanDerWaalsContact O-CA 3.3Å; I82-T100 WeakPolarHBondContact O-CA 3.45Å; I82-F101 HydrophobicContact CG2-CB 3.65Å; I82-F101 HydrophobicContact CG2-CD1 3.89Å; I82-F101 HydrophobicContact CG2-CG 4.22Å; I82-F101 PolarHBondContact N-O 2.82Å; I82-F101 PolarHBondContact O-N 2.76Å
83R95.6Very high94.7Very high55 Ų5546.6 Ų46.621%0.20824%0.236CC..EExtended strand (participates in β ladder)trans-126.4125.2177.9-177.1168.267.9-166.2-1108.5F15 E72 K98 A99 T100F15-R83 HydrophobicContact CD1-CB 4.31Å; F15-R83 HydrophobicContact CE1-CB 3.94Å; E72-R83 PolarHBondContact N-O 2.94Å; E72-R83 PolarHBondContact O-N 2.97Å; E72-R83 IonicContact OE1-NH2 2.68Å; E72-R83 IonicContact OE2-CZ 2.69Å; E72-R83 IonicContact OE2-NE 3.83Å; E72-R83 PolarHBondContact OE2-NE 3.07Å; E72-R83 IonicContact OE2-NH2 3.17Å; E72-R83 PolarHBondContact OE2-NH2 2.85Å; R83-K98 HydrophobicContact CG-CG 4.09Å; R83-A99 WeakPolarHBondContact CA-O 3.32Å; R83-T100 WeakPolarHBondContact CG-OG1 3.29Å
84W97Very high94.7Very high1 Ų151 Ų510%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-107.2139.6171.3-67.1-78.9000109.8I48 I59 F61 K70 I82 F86 K98 A99 F101I48-W84 HydrophobicContact CD1-CH2 4.04Å; I48-W84 HydrophobicContact CD1-CZ2 4.35Å; I48-W84 HydrophobicContact CG1-CH2 4.06Å; I48-W84 HydrophobicContact CG1-CZ2 3.99Å; I59-W84 HydrophobicContact CG2-CH2 4.31Å; F61-W84 HydrophobicContact CB-CE3 4Å; F61-W84 HydrophobicContact CB-CZ3 4.24Å; F61-W84 HydrophobicContact CD1-CB 4.33Å; K70-W84 CarbonylContact O-C 3.58Å; K70-W84 WeakPolarHBondContact O-CA 3.33Å; I82-W84 HydrophobicContact CD1-CD2 4.48Å; I82-W84 HydrophobicContact CD1-CH2 3.98Å; I82-W84 HydrophobicContact CD1-CZ2 3.41Å; I82-W84 VanDerWaalsContact CD1-CZ2 3.41Å; I82-W84 HydrophobicContact CG1-CD2 4.34Å; I82-W84 HydrophobicContact CG1-CH2 4.35Å; I82-W84 HydrophobicContact CG1-CZ2 4.06Å; I82-W84 HydrophobicContact CG2-CE3 4.09Å; I82-W84 HydrophobicContact CG2-CH2 3.55Å; I82-W84 HydrophobicContact CG2-CZ2 4.12Å; I82-W84 HydrophobicContact CG2-CZ3 3.52Å; W84-F86 HydrophobicContact CB-CD2 4.03Å; W84-F86 HydrophobicContact CB-CE2 3.49Å; W84-F86 VanDerWaalsContact CB-CE2 3.49Å; W84-F86 HydrophobicContact CB-CZ 4.34Å; W84-F86 HydrophobicContact CG-CE2 4.09Å; W84-K98 WeakPolarHBondContact O-CA 3.32Å; W84-A99 PolarHBondContact N-O 3.28Å; W84-A99 PolarHBondContact O-N 2.68Å; W84-F101 HydrophobicContact CZ3-CB 4.06Å
85S97.1Very high94.8Very high1 Ų152.3 Ų52.31%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-124.9110.1169.5-50.20000108.9I69 K70 E96 A97 K98I69-S85 CarbonylContact C-O 3.57Å; I69-S85 WeakPolarHBondContact CA-O 3.45Å; K70-S85 PolarHBondContact N-O 2.91Å; K70-S85 PolarHBondContact O-N 2.78Å; S85-E96 WeakPolarHBondContact CB-OE1 3.18Å; S85-E96 PolarHBondContact OG-OE1 2.84Å; S85-A97 CarbonylContact C-O 3.44Å; S85-A97 WeakPolarHBondContact CA-O 3.4Å; S85-K98 WeakPolarHBondContact OG-CE 3.15Å
86F97.6Very high95Very high0 Ų054 Ų540%028%0.275CS..EExtended strand (participates in β ladder)trans-95.5124.8178.3-70.4-94.2000109.2F61 V63 I69 W84 E96 A97F61-F86 AromaticContact CD1-CD2 3.87Å; F61-F86 HydrophobicContact CD1-CD2 3.87Å; F61-F86 AromaticContact CD1-CE2 3.48Å; F61-F86 HydrophobicContact CD1-CE2 3.48Å; F61-F86 VanDerWaalsContact CD1-CE2 3.48Å; F61-F86 AromaticContact CE1-CD2 3.73Å; F61-F86 HydrophobicContact CE1-CD2 3.73Å; F61-F86 AromaticContact CE1-CE2 3.85Å; F61-F86 HydrophobicContact CE1-CE2 3.85Å; F61-F86 HydrophobicContact CG-CE2 4.21Å; F61-F86 WeakPolarHBondContact O-CZ 3.46Å; V63-F86 HydrophobicContact CB-CB 3.87Å; V63-F86 HydrophobicContact CB-CD1 4.16Å; V63-F86 HydrophobicContact CB-CD2 4.49Å; V63-F86 HydrophobicContact CB-CG 3.93Å; V63-F86 HydrophobicContact CG2-CB 3.87Å; V63-F86 HydrophobicContact CG2-CD1 4.43Å; V63-F86 HydrophobicContact CG2-CD2 3.9Å; V63-F86 HydrophobicContact CG2-CG 3.81Å; I69-F86 HydrophobicContact CD1-CD1 3.95Å; I69-F86 HydrophobicContact CD1-CE1 3.56Å; I69-F86 HydrophobicContact CD1-CZ 4.49Å; I69-F86 HydrophobicContact CG1-CD1 3.71Å; I69-F86 HydrophobicContact CG1-CE1 3.8Å; I69-F86 HydrophobicContact CG2-CD1 4.22Å; I69-F86 HydrophobicContact CG2-CE1 4.03Å; I69-F86 HydrophobicContact CG2-CZ 4.2Å; W84-F86 HydrophobicContact CB-CD2 4.03Å; W84-F86 HydrophobicContact CB-CE2 3.49Å; W84-F86 VanDerWaalsContact CB-CE2 3.49Å; W84-F86 HydrophobicContact CB-CZ 4.34Å; W84-F86 HydrophobicContact CG-CE2 4.09Å; F86-E96 CarbonylContact O-C 3.55Å; F86-A97 HydrophobicContact CB-CB 4.48Å; F86-A97 PolarHBondContact N-O 2.79Å; F86-A97 PolarHBondContact O-N 2.8Å
87F97.5Very high95.2Very high24 Ų2450.8 Ų50.811%0.10526%0.261CS..EExtended strand (participates in β ladder)trans-101.7115.9178.3-63.4-96.4000109S66 K67 K68 K70 L94 V95 E96S66-F87 CarbonylContact C-O 3.54Å; S66-F87 WeakPolarHBondContact CA-O 3.32Å; K67-F87 PolarHBondContact N-O 2.85Å; K68-F87 HydrophobicContact CB-CB 4.09Å; K68-F87 HydrophobicContact CB-CD2 4.17Å; K68-F87 HydrophobicContact CB-CG 4.39Å; K68-F87 HydrophobicContact CD-CD2 4.41Å; K68-F87 HydrophobicContact CG-CD2 4.11Å; K68-F87 WeakPolarHBondContact O-CD2 3.27Å; K68-F87 PolarHBondContact O-N 2.85Å; K70-F87 HydrophobicContact CB-CE2 4.37Å; K70-F87 HydrophobicContact CD-CE2 3.63Å; K70-F87 HydrophobicContact CD-CZ 3.83Å; K70-F87 HydrophobicContact CG-CE2 3.75Å; K70-F87 HydrophobicContact CG-CZ 4.45Å; F87-L94 HydrophobicContact CB-CD2 4.36Å; F87-V95 CarbonylContact C-O 3.58Å; F87-V95 WeakPolarHBondContact CA-O 3.49Å; F87-E96 HydrophobicContact CD1-CB 4.08Å; F87-E96 HydrophobicContact CD1-CG 4.36Å; F87-E96 HydrophobicContact CE1-CB 3.76Å; F87-E96 HydrophobicContact CE1-CG 3.78Å; F87-E96 HydrophobicContact CE2-CG 4.37Å; F87-E96 HydrophobicContact CZ-CB 4.28Å; F87-E96 HydrophobicContact CZ-CG 3.76Å; F87-E96 VanDerWaalsContact CZ-OE1 3.27Å; F87-E96 WeakPolarHBondContact CZ-OE1 3.47Å
88V97Very high95.4Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-110.1135.7179.4-175.30000108.7V63 R65 V90 V95 I120 Y123V63-V88 HydrophobicContact CG1-CG2 3.71Å; R65-V88 HydrophobicContact CB-CG1 4.31Å; V88-V90 HydrophobicContact CG1-CG2 4.34Å; V88-V95 PolarHBondContact N-O 2.68Å; V88-V95 PolarHBondContact O-N 3.14Å; V88-I120 HydrophobicContact CB-CG2 4.01Å; V88-I120 HydrophobicContact CG1-CG2 4.37Å; V88-I120 HydrophobicContact CG2-CG2 4.38Å; V88-Y123 HydrophobicContact CG1-CD2 3.73Å; V88-Y123 HydrophobicContact CG1-CE1 4.46Å; V88-Y123 HydrophobicContact CG1-CE2 3.54Å; V88-Y123 HydrophobicContact CG1-CG 4.28Å
89E96.4Very high95.7Very high91 Ų9137 Ų3743%0.42520%0.201SC..EExtended strand (participates in β ladder)trans-80.6119.9175.8-172.3177.8-173.300110.2K67 S93 L94 Y123K67-E89 VanDerWaalsContact CE-OE2 3.28Å; K67-E89 WeakPolarHBondContact CE-OE2 3.38Å; K67-E89 HydrophobicContact CG-CB 4.15Å; K67-E89 IonicContact NZ-OE2 3.65Å; E89-S93 WeakPolarHBondContact CA-O 3.41Å; E89-L94 HydrophobicContact CB-CD2 4.2Å; E89-Y123 PolarHBondContact O-OH 3.01Å
90V94.6Very high95.9Very high11 Ų1135.8 Ų35.87%0.06720%0.196CC..EExtended strand (participates in β ladder)trans-129.6118.7177.4-170.90000107.8V88 G92 S93 V95 A119 I120 Y123V88-V90 HydrophobicContact CG1-CG2 4.34Å; V90-G92 PolarHBondContact O-N 3.36Å; V90-S93 PolarHBondContact N-O 3.01Å; V90-S93 PolarHBondContact O-N 2.78Å; V90-S93 VanDerWaalsContact O-O 3.13Å; V90-V95 HydrophobicContact CB-CG2 3.97Å; V90-V95 HydrophobicContact CG2-CB 4.28Å; V90-V95 HydrophobicContact CG2-CG2 3.94Å; V90-A119 HydrophobicContact CG1-CB 4.3Å; V90-I120 HydrophobicContact CG2-CG2 3.98Å; V90-Y123 HydrophobicContact CG2-CE2 3.98Å
91E93.2Very high95.9Very high186 Ų18635.8 Ų35.887%0.86920%0.196SC*.THydrogen-bonded Turntrans53.340.8177.3-63.3171.2-166.400112.9S93E91-S93 PolarHBondContact O-N 2.8Å
92G92.5Very high95.8Very high64 Ų6436 Ų3666%0.6620%0.197SC*.THydrogen-bonded Turntrans77.8-1.9-179.700000115.1V90V90-G92 PolarHBondContact O-N 3.36Å
93S94.3Very high95.7Very high76 Ų7636 Ų3653%0.53120%0.197SC..EExtended strand (participates in β ladder)trans-109.6142.3177.9-64.40000111.7E89 V90 E91 V95E89-S93 WeakPolarHBondContact CA-O 3.41Å; V90-S93 PolarHBondContact N-O 3.01Å; V90-S93 PolarHBondContact O-N 2.78Å; V90-S93 VanDerWaalsContact O-O 3.13Å; E91-S93 PolarHBondContact O-N 2.8Å; S93-V95 PolarHBondContact O-N 3.36Å
94L95.9Very high95.4Very high106 Ų10636.8 Ų36.856%0.55520%0.202SC*.EExtended strand (participates in β ladder)trans-82.7116.4173.6-72.6176.2000110.6K67 F87 E89K67-L94 HydrophobicContact CB-CD2 4.32Å; K67-L94 HydrophobicContact CG-CD2 4.4Å; F87-L94 HydrophobicContact CB-CD2 4.36Å; E89-L94 HydrophobicContact CB-CD2 4.2Å
95V97Very high95Very high30 Ų3043.1 Ų43.118%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-101.5130.4176.7179.80000109.5F87 V88 V90 S93 P117 I120F87-V95 CarbonylContact C-O 3.58Å; F87-V95 WeakPolarHBondContact CA-O 3.49Å; V88-V95 PolarHBondContact N-O 2.68Å; V88-V95 PolarHBondContact O-N 3.14Å; V90-V95 HydrophobicContact CB-CG2 3.97Å; V90-V95 HydrophobicContact CG2-CB 4.28Å; V90-V95 HydrophobicContact CG2-CG2 3.94Å; S93-V95 PolarHBondContact O-N 3.36Å; V95-P117 HydrophobicContact CG1-CB 3.63Å; V95-P117 HydrophobicContact CG1-CG 3.59Å; V95-I120 HydrophobicContact CB-CG2 4.25Å; V95-I120 HydrophobicContact CG1-CG2 4Å
96E97.6Very high94.3Very high51 Ų5149 Ų4924%0.23826%0.261CS..EExtended strand (participates in β ladder)trans-91.7127.1-179.2-173.2179.4-144.700111.1S85 F86 F87 K98 P117S85-E96 WeakPolarHBondContact CB-OE1 3.18Å; S85-E96 PolarHBondContact OG-OE1 2.84Å; F86-E96 CarbonylContact O-C 3.55Å; F87-E96 HydrophobicContact CD1-CB 4.08Å; F87-E96 HydrophobicContact CD1-CG 4.36Å; F87-E96 HydrophobicContact CE1-CB 3.76Å; F87-E96 HydrophobicContact CE1-CG 3.78Å; F87-E96 HydrophobicContact CE2-CG 4.37Å; F87-E96 HydrophobicContact CZ-CB 4.28Å; F87-E96 HydrophobicContact CZ-CG 3.76Å; F87-E96 VanDerWaalsContact CZ-OE1 3.27Å; F87-E96 WeakPolarHBondContact CZ-OE1 3.47Å; E96-K98 WeakPolarHBondContact OE1-CE 3.2Å; E96-K98 IonicContact OE1-NZ 3.56Å; E96-K98 PolarHBondContact OE1-NZ 3.01Å; E96-K98 WeakPolarHBondContact OE2-CE 3.24Å; E96-K98 IonicContact OE2-NZ 2.79Å; E96-K98 PolarHBondContact OE2-NZ 2.8Å; E96-P117 VanDerWaalsContact O-CD 3.24Å; E96-P117 WeakPolarHBondContact O-CD 3.39Å; E96-P117 VanDerWaalsContact O-CG 3.25Å; E96-P117 WeakPolarHBondContact O-CG 3.03Å
97A97.4Very high93.6Very high0 Ų049.6 Ų49.60%027%0.267CS..EExtended strand (participates in β ladder)trans-110.6119.4167.300000109.4V63 S85 F86 D115 I116 I120V63-A97 HydrophobicContact CG2-CB 4.26Å; S85-A97 CarbonylContact C-O 3.44Å; S85-A97 WeakPolarHBondContact CA-O 3.4Å; F86-A97 HydrophobicContact CB-CB 4.48Å; F86-A97 PolarHBondContact N-O 2.79Å; F86-A97 PolarHBondContact O-N 2.8Å; A97-D115 CarbonylContact C-O 3.51Å; A97-D115 WeakPolarHBondContact CA-O 3.31Å; A97-I116 HydrophobicContact CB-CD1 4.23Å; A97-I120 HydrophobicContact CB-CD1 3.5Å
98K96.6Very high93.1Very high48 Ų4850.1 Ų50.121%0.20927%0.269CS..EExtended strand (participates in β ladder)trans-121.6129.5-168.9-170.1175.6-71.9141.40110.6R83 W84 S85 E96 D114 D115R83-K98 HydrophobicContact CG-CG 4.09Å; W84-K98 WeakPolarHBondContact O-CA 3.32Å; S85-K98 WeakPolarHBondContact OG-CE 3.15Å; E96-K98 WeakPolarHBondContact OE1-CE 3.2Å; E96-K98 IonicContact OE1-NZ 3.56Å; E96-K98 PolarHBondContact OE1-NZ 3.01Å; E96-K98 WeakPolarHBondContact OE2-CE 3.24Å; E96-K98 IonicContact OE2-NZ 2.79Å; E96-K98 PolarHBondContact OE2-NZ 2.8Å; K98-D114 HydrophobicContact CB-CB 4.03Å; K98-D114 HydrophobicContact CD-CB 4.08Å; K98-D114 HydrophobicContact CG-CB 3.82Å; K98-D114 PolarHBondContact O-N 3Å; K98-D115 HydrophobicContact CB-CB 4.47Å; K98-D115 PolarHBondContact N-O 3.12Å; K98-D115 PolarHBondContact O-N 2.88Å; K98-D115 VanDerWaalsContact O-N 3.08Å
99A96.4Very high92.8Very high4 Ų450.2 Ų50.23%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-141.8145.9174.300000111.1F61 R83 W84 Y112 Y113 D114F61-A99 HydrophobicContact CD1-CB 3.58Å; F61-A99 HydrophobicContact CE1-CB 3.4Å; F61-A99 VanDerWaalsContact CE1-CB 3.4Å; F61-A99 HydrophobicContact CG-CB 4.31Å; F61-A99 HydrophobicContact CZ-CB 3.98Å; R83-A99 WeakPolarHBondContact CA-O 3.32Å; W84-A99 PolarHBondContact N-O 3.28Å; W84-A99 PolarHBondContact O-N 2.68Å; A99-Y112 CarbonylContact C-O 3.53Å; A99-Y112 WeakPolarHBondContact CA-O 3.48Å; A99-Y113 HydrophobicContact CB-CD1 3.91Å; A99-Y113 HydrophobicContact CB-CE1 4.42Å; A99-D114 VanDerWaalsContact CA-OD2 3.23Å; A99-D114 WeakPolarHBondContact CA-OD2 2.87Å
100T95.6Very high92.6Very high3 Ų346 Ų462%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-119.8124.1-178.5-59.50000109.6F8 F15 A81 I82 R83 Y112 D114F8-T100 HydrophobicContact CE2-CG2 4.19Å; F8-T100 HydrophobicContact CZ-CG2 4.47Å; F15-T100 HydrophobicContact CZ-CG2 4.39Å; A81-T100 HydrophobicContact CB-CG2 4.49Å; I82-T100 CarbonylContact O-C 3.57Å; I82-T100 VanDerWaalsContact O-CA 3.3Å; I82-T100 WeakPolarHBondContact O-CA 3.45Å; R83-T100 WeakPolarHBondContact CG-OG1 3.29Å; T100-Y112 PolarHBondContact N-O 2.91Å; T100-Y112 PolarHBondContact O-N 2.97Å; T100-D114 WeakPolarHBondContact CB-OD2 3.46Å; T100-D114 PolarHBondContact N-OD2 2.88Å; T100-D114 PolarHBondContact OG1-OD1 2.93Å; T100-D114 PolarHBondContact OG1-OD2 2.86Å
101F94.6Very high92.6Very high1 Ų145.6 Ų45.60%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-101.3138.3171.3171.6-90.3000110.3I59 A81 I82 W84 I103 I109 S110 F111I59-F101 HydrophobicContact CB-CE1 4.41Å; I59-F101 HydrophobicContact CB-CE2 4.3Å; I59-F101 HydrophobicContact CB-CZ 4.16Å; I59-F101 HydrophobicContact CD1-CD1 4.29Å; I59-F101 HydrophobicContact CD1-CE1 3.31Å; I59-F101 HydrophobicContact CD1-CE2 4.1Å; I59-F101 HydrophobicContact CD1-CZ 3.19Å; I59-F101 HydrophobicContact CG1-CE1 3.92Å; I59-F101 HydrophobicContact CG1-CE2 3.79Å; I59-F101 HydrophobicContact CG1-CZ 3.39Å; I59-F101 HydrophobicContact CG2-CD1 3.95Å; I59-F101 HydrophobicContact CG2-CD2 3.52Å; I59-F101 HydrophobicContact CG2-CE1 3.95Å; I59-F101 HydrophobicContact CG2-CE2 3.48Å; I59-F101 VanDerWaalsContact CG2-CE2 3.48Å; I59-F101 HydrophobicContact CG2-CG 3.74Å; I59-F101 HydrophobicContact CG2-CZ 3.73Å; A81-F101 CarbonylContact C-O 3.52Å; A81-F101 VanDerWaalsContact CA-O 3.24Å; A81-F101 WeakPolarHBondContact CA-O 3.46Å; I82-F101 HydrophobicContact CG2-CB 3.65Å; I82-F101 HydrophobicContact CG2-CD1 3.89Å; I82-F101 HydrophobicContact CG2-CG 4.22Å; I82-F101 PolarHBondContact N-O 2.82Å; I82-F101 PolarHBondContact O-N 2.76Å; W84-F101 HydrophobicContact CZ3-CB 4.06Å; F101-I103 HydrophobicContact CD1-CG1 4.36Å; F101-I103 HydrophobicContact CE1-CD1 3.61Å; F101-I103 HydrophobicContact CE1-CG1 3.35Å; F101-I103 HydrophobicContact CZ-CD1 4.03Å; F101-I103 HydrophobicContact CZ-CG1 3.67Å; F101-I109 HydrophobicContact CD2-CG2 4.25Å; F101-I109 HydrophobicContact CE2-CG2 3.14Å; F101-I109 HydrophobicContact CZ-CG2 3.38Å; F101-S110 CarbonylContact C-O 3.58Å; F101-S110 WeakPolarHBondContact CA-O 3.46Å; F101-S110 WeakPolarHBondContact CD2-O 3.48Å; F101-F111 HydrophobicContact CB-CD1 4.43Å; F101-F111 AromaticContact CD2-CD1 3.8Å; F101-F111 HydrophobicContact CD2-CD1 3.8Å; F101-F111 AromaticContact CD2-CD2 3.9Å; F101-F111 HydrophobicContact CD2-CD2 3.9Å; F101-F111 AromaticContact CD2-CE1 3.57Å; F101-F111 HydrophobicContact CD2-CE1 3.57Å; F101-F111 AromaticContact CD2-CE2 3.66Å; F101-F111 HydrophobicContact CD2-CE2 3.66Å; F101-F111 AromaticContact CD2-CG 3.98Å; F101-F111 HydrophobicContact CD2-CG 3.98Å; F101-F111 AromaticContact CD2-CZ 3.51Å; F101-F111 HydrophobicContact CD2-CZ 3.51Å; F101-F111 HydrophobicContact CE2-CD2 4.16Å; F101-F111 HydrophobicContact CE2-CE1 4.17Å; F101-F111 AromaticContact CE2-CE2 3.6Å; F101-F111 HydrophobicContact CE2-CE2 3.6Å; F101-F111 AromaticContact CE2-CZ 3.63Å; F101-F111 HydrophobicContact CE2-CZ 3.63Å; F101-F111 HydrophobicContact CG-CE1 4.45Å
102L93.4Very high92.8Very high4 Ų437.7 Ų37.72%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-133.3132.1-172.7-178.270.1000110.9P9 V11 Q79 F80 A81 K104 I109 S110P9-L102 HydrophobicContact CB-CD2 4.3Å; V11-L102 HydrophobicContact CG2-CD1 3.96Å; V11-L102 HydrophobicContact CG2-CD2 4.22Å; Q79-L102 HydrophobicContact CB-CD1 3.88Å; Q79-L102 HydrophobicContact CG-CD1 4.14Å; F80-L102 WeakPolarHBondContact O-CA 3.01Å; A81-L102 HydrophobicContact CB-CD1 3.94Å; L102-K104 HydrophobicContact CD2-CD 4.46Å; L102-K104 HydrophobicContact CD2-CG 4.14Å; L102-K104 HydrophobicContact CG-CG 4.27Å; L102-I109 CarbonylContact O-C 3.46Å; L102-I109 WeakPolarHBondContact O-CA 3.38Å; L102-S110 PolarHBondContact N-O 2.87Å; L102-S110 PolarHBondContact O-N 3.48Å
103I91.5Very high93Very high1 Ų134.6 Ų34.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-115.7123.3166.8-56.1174.1000107.9L28 F30 F40 I59 Q79 F80 F101 I109L28-I103 HydrophobicContact CD1-CG2 4.37Å; F30-I103 HydrophobicContact CD2-CG2 4.14Å; F30-I103 HydrophobicContact CE1-CG2 4.15Å; F30-I103 HydrophobicContact CE2-CG2 3.7Å; F30-I103 HydrophobicContact CZ-CD1 4.12Å; F30-I103 HydrophobicContact CZ-CG2 3.68Å; F40-I103 HydrophobicContact CE1-CD1 4.24Å; F40-I103 HydrophobicContact CZ-CD1 3.86Å; I59-I103 HydrophobicContact CD1-CD1 4.3Å; Q79-I103 CarbonylContact C-O 3.56Å; Q79-I103 WeakPolarHBondContact CA-O 3.42Å; Q79-I103 WeakPolarHBondContact CB-O 3.37Å; F80-I103 HydrophobicContact CD1-CD1 4.41Å; F80-I103 PolarHBondContact N-O 3.39Å; F80-I103 PolarHBondContact O-N 3Å; F101-I103 HydrophobicContact CD1-CG1 4.36Å; F101-I103 HydrophobicContact CE1-CD1 3.61Å; F101-I103 HydrophobicContact CE1-CG1 3.35Å; F101-I103 HydrophobicContact CZ-CD1 4.03Å; F101-I103 HydrophobicContact CZ-CG1 3.67Å; I103-I109 HydrophobicContact CG1-CG1 4.41Å
104K89.7Confident93Very high70 Ų7032.4 Ų32.430%0.30416%0.161SC..EExtended strand (participates in β ladder)trans-94.7158.1174.7-68.9178.6-179.51720110.7L102 N106 G107 K108L102-K104 HydrophobicContact CD2-CD 4.46Å; L102-K104 HydrophobicContact CD2-CG 4.14Å; L102-K104 HydrophobicContact CG-CG 4.27Å; K104-N106 WeakPolarHBondContact CB-OD1 3.15Å; K104-N106 PolarHBondContact O-N 2.54Å; K104-N106 VanDerWaalsContact O-N 3.09Å; K104-G107 PolarHBondContact O-N 3.37Å; K104-K108 PolarHBondContact N-O 3.05Å
105K88.1Confident93Very high134 Ų13430.5 Ų30.558%0.58315%0.151SC*.THydrogen-bonded Turntrans-53.9-30178.8-174.5180176.7-172.60114K78 G107K78-K105 PolarHBondContact O-N 3.39Å; K105-G107 PolarHBondContact O-N 3.06Å
106N84Confident93Very high124 Ų12429.2 Ų29.266%0.66314%0.143SC*.THydrogen-bonded Turntrans-76.72.8176.867.4-14.3000113.9K104 K108K104-N106 WeakPolarHBondContact CB-OD1 3.15Å; K104-N106 PolarHBondContact O-N 2.54Å; K104-N106 VanDerWaalsContact O-N 3.09Å; N106-K108 VanDerWaalsContact C-N 3.29Å; N106-K108 PolarHBondContact O-N 3.42Å; N106-K108 VanDerWaalsContact OD1-CB 3.29Å; N106-K108 WeakPolarHBondContact OD1-CB 3.4Å; N106-K108 PolarHBondContact OD1-N 3.05Å; N106-K108 VanDerWaalsContact OD1-N 3.12Å
107G83.4Confident92.9Very high13 Ų1328 Ų2813%0.13414%0.14CC..SBendtrans83.4-1-178.200000114.4K104 K105 I109K104-G107 PolarHBondContact O-N 3.37Å; K105-G107 PolarHBondContact O-N 3.06Å; G107-I109 PolarHBondContact O-N 2.91Å
108K87Confident92.8Very high36 Ų3635.4 Ų35.416%0.15717%0.174CC..  trans-64.3128.5172.9177.4171.9-82.8-156.30109.7K104 N106 E158 E160K104-K108 PolarHBondContact N-O 3.05Å; N106-K108 VanDerWaalsContact C-N 3.29Å; N106-K108 PolarHBondContact O-N 3.42Å; N106-K108 VanDerWaalsContact OD1-CB 3.29Å; N106-K108 WeakPolarHBondContact OD1-CB 3.4Å; N106-K108 PolarHBondContact OD1-N 3.05Å; N106-K108 VanDerWaalsContact OD1-N 3.12Å; K108-E158 WeakPolarHBondContact CD-OE1 3.31Å; K108-E158 IonicContact NZ-OE1 3.84Å; K108-E158 IonicContact NZ-OE2 3.67Å; K108-E158 PolarHBondContact NZ-OE2 3.32Å; K108-E160 WeakPolarHBondContact CE-OE1 3.3Å; K108-E160 IonicContact NZ-OE1 3.31Å; K108-E160 PolarHBondContact NZ-OE1 3.03Å
109I89.9Confident92.7Very high1 Ų135.5 Ų35.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-110.2129.5179.1-64.4178.1000108.3F32 F101 L102 I103 G107 F111 F129 E158 Y159F32-I109 HydrophobicContact CD2-CD1 4.36Å; F32-I109 HydrophobicContact CE2-CD1 4.13Å; F101-I109 HydrophobicContact CD2-CG2 4.25Å; F101-I109 HydrophobicContact CE2-CG2 3.14Å; F101-I109 HydrophobicContact CZ-CG2 3.38Å; L102-I109 CarbonylContact O-C 3.46Å; L102-I109 WeakPolarHBondContact O-CA 3.38Å; I103-I109 HydrophobicContact CG1-CG1 4.41Å; G107-I109 PolarHBondContact O-N 2.91Å; I109-F111 HydrophobicContact CG2-CE2 4.43Å; I109-F129 HydrophobicContact CD1-CD2 4.21Å; I109-F129 HydrophobicContact CD1-CE1 4.07Å; I109-F129 HydrophobicContact CD1-CE2 3.47Å; I109-F129 VanDerWaalsContact CD1-CE2 3.47Å; I109-F129 HydrophobicContact CD1-CZ 3.4Å; I109-F129 VanDerWaalsContact CD1-CZ 3.4Å; I109-E158 WeakPolarHBondContact O-CA 2.85Å; I109-Y159 HydrophobicContact CG2-CD2 4.25Å; I109-Y159 PolarHBondContact N-O 2.77Å; I109-Y159 PolarHBondContact O-N 2.91Å
110S92.5Very high92.7Very high2 Ų235.3 Ų35.31%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-133.2139-177.6-49.60000112.1F101 L102 V157 E158F101-S110 CarbonylContact C-O 3.58Å; F101-S110 WeakPolarHBondContact CA-O 3.46Å; F101-S110 WeakPolarHBondContact CD2-O 3.48Å; L102-S110 PolarHBondContact N-O 2.87Å; L102-S110 PolarHBondContact O-N 3.48Å; S110-V157 CarbonylContact C-O 3.5Å; S110-V157 WeakPolarHBondContact CA-O 2.87Å; S110-E158 PolarHBondContact OG-OE1 3.1Å
111F94.9Very high92.5Very high4 Ų439.6 Ų39.62%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-109123165.1-67.4-101.9000108.5I59 F101 I109 Y113 F129 L156 V157 Y159I59-F111 HydrophobicContact CG2-CE1 3.95Å; I59-F111 HydrophobicContact CG2-CZ 3.81Å; F101-F111 HydrophobicContact CB-CD1 4.43Å; F101-F111 AromaticContact CD2-CD1 3.8Å; F101-F111 HydrophobicContact CD2-CD1 3.8Å; F101-F111 AromaticContact CD2-CD2 3.9Å; F101-F111 HydrophobicContact CD2-CD2 3.9Å; F101-F111 AromaticContact CD2-CE1 3.57Å; F101-F111 HydrophobicContact CD2-CE1 3.57Å; F101-F111 AromaticContact CD2-CE2 3.66Å; F101-F111 HydrophobicContact CD2-CE2 3.66Å; F101-F111 AromaticContact CD2-CG 3.98Å; F101-F111 HydrophobicContact CD2-CG 3.98Å; F101-F111 AromaticContact CD2-CZ 3.51Å; F101-F111 HydrophobicContact CD2-CZ 3.51Å; F101-F111 HydrophobicContact CE2-CD2 4.16Å; F101-F111 HydrophobicContact CE2-CE1 4.17Å; F101-F111 AromaticContact CE2-CE2 3.6Å; F101-F111 HydrophobicContact CE2-CE2 3.6Å; F101-F111 AromaticContact CE2-CZ 3.63Å; F101-F111 HydrophobicContact CE2-CZ 3.63Å; F101-F111 HydrophobicContact CG-CE1 4.45Å; I109-F111 HydrophobicContact CG2-CE2 4.43Å; F111-Y113 HydrophobicContact CB-CE2 4.47Å; F111-F129 HydrophobicContact CE2-CB 4.15Å; F111-F129 HydrophobicContact CZ-CB 4.27Å; F111-L156 CarbonylContact O-C 3.57Å; F111-L156 WeakPolarHBondContact O-CA 3.37Å; F111-V157 HydrophobicContact CB-CB 4.33Å; F111-V157 PolarHBondContact N-O 2.87Å; F111-V157 PolarHBondContact O-N 2.74Å; F111-Y159 AromaticContact CD2-CD2 4Å; F111-Y159 HydrophobicContact CD2-CD2 4Å; F111-Y159 AromaticContact CD2-CE2 3.5Å; F111-Y159 HydrophobicContact CD2-CE2 3.5Å; F111-Y159 AromaticContact CE2-CD2 3.91Å; F111-Y159 HydrophobicContact CE2-CD2 3.91Å; F111-Y159 AromaticContact CE2-CE2 3.43Å; F111-Y159 HydrophobicContact CE2-CE2 3.43Å; F111-Y159 VanDerWaalsContact CE2-CE2 3.43Å
112Y95.9Very high92.5Very high19 Ų1946.3 Ų46.38%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-115.6129.8173.3179.8-103000109.4Q6 F8 P9 A99 T100 D114 T155 L156Q6-Y112 HydrophobicContact CB-CE2 4.23Å; Q6-Y112 WeakPolarHBondContact O-CE2 3.24Å; Q6-Y112 PolarHBondContact O-OH 2.85Å; Q6-Y112 VanDerWaalsContact O-OH 3.07Å; F8-Y112 HydrophobicContact CB-CE1 4.01Å; F8-Y112 AromaticContact CD2-CD1 3.62Å; F8-Y112 HydrophobicContact CD2-CD1 3.62Å; F8-Y112 AromaticContact CD2-CE1 3.54Å; F8-Y112 HydrophobicContact CD2-CE1 3.54Å; F8-Y112 HydrophobicContact CE2-CD1 4.23Å; F8-Y112 HydrophobicContact CG-CE1 4.26Å; F8-Y112 PolarHBondContact N-OH 3.07Å; P9-Y112 VanDerWaalsContact CD-CG 3.46Å; P9-Y112 HydrophobicContact CG-CD2 4.16Å; P9-Y112 HydrophobicContact CG-CG 3.99Å; A99-Y112 CarbonylContact C-O 3.53Å; A99-Y112 WeakPolarHBondContact CA-O 3.48Å; T100-Y112 PolarHBondContact N-O 2.91Å; T100-Y112 PolarHBondContact O-N 2.97Å; Y112-D114 HydrophobicContact CD1-CB 4.38Å; Y112-D114 HydrophobicContact CE1-CB 4.16Å; Y112-D114 PolarHBondContact O-N 2.82Å; Y112-T155 WeakPolarHBondContact CA-O 3.33Å; Y112-L156 HydrophobicContact CD2-CB 4.34Å; Y112-L156 HydrophobicContact CD2-CD1 4.27Å
113Y96.6Very high92.6Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-97.992.7179.9-61.1-76000109F61 A99 F111 D115 I116 S127 V146 I151 K152 G154 T155 V157F61-Y113 HydrophobicContact CE2-CE1 4.21Å; A99-Y113 HydrophobicContact CB-CD1 3.91Å; A99-Y113 HydrophobicContact CB-CE1 4.42Å; F111-Y113 HydrophobicContact CB-CE2 4.47Å; Y113-D115 PolarHBondContact O-N 3.18Å; Y113-I116 HydrophobicContact CD1-CD1 4.16Å; Y113-I116 HydrophobicContact CD1-CG1 4.19Å; Y113-I116 HydrophobicContact CG-CG1 4.35Å; Y113-S127 WeakPolarHBondContact CE1-OG 3.23Å; Y113-S127 WeakPolarHBondContact OH-CB 3.3Å; Y113-S127 PolarHBondContact OH-OG 3.08Å; Y113-V146 HydrophobicContact CE2-CG1 4.32Å; Y113-V146 WeakPolarHBondContact OH-CB 3.36Å; Y113-V146 WeakPolarHBondContact OH-CG1 3.28Å; Y113-V146 WeakPolarHBondContact OH-CG2 3.5Å; Y113-I151 HydrophobicContact CD1-CG2 3.73Å; Y113-I151 HydrophobicContact CE1-CB 4.17Å; Y113-I151 HydrophobicContact CE1-CG1 4.08Å; Y113-I151 HydrophobicContact CE1-CG2 3.53Å; Y113-I151 HydrophobicContact CE2-CG1 4.5Å; Y113-I151 HydrophobicContact CG-CG2 4.48Å; Y113-K152 VanDerWaalsContact CB-O 3.27Å; Y113-K152 WeakPolarHBondContact CB-O 3.45Å; Y113-G154 PolarHBondContact O-N 2.83Å; Y113-T155 HydrophobicContact CD2-CG2 4.03Å; Y113-T155 WeakPolarHBondContact CD2-O 3.43Å; Y113-T155 HydrophobicContact CE2-CG2 4.21Å; Y113-T155 PolarHBondContact N-O 2.98Å; Y113-V157 HydrophobicContact CE2-CG2 4.07Å
114D95.2Very high92.8Very high30 Ų3054.4 Ų54.416%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-58-48.5-175-58.6-100.5000112.9F8 K98 A99 T100 Y112F8-D114 WeakPolarHBondContact CD2-OD1 3.35Å; F8-D114 WeakPolarHBondContact CE2-OD1 3.25Å; K98-D114 HydrophobicContact CB-CB 4.03Å; K98-D114 HydrophobicContact CD-CB 4.08Å; K98-D114 HydrophobicContact CG-CB 3.82Å; K98-D114 PolarHBondContact O-N 3Å; A99-D114 VanDerWaalsContact CA-OD2 3.23Å; A99-D114 WeakPolarHBondContact CA-OD2 2.87Å; T100-D114 WeakPolarHBondContact CB-OD2 3.46Å; T100-D114 PolarHBondContact N-OD2 2.88Å; T100-D114 PolarHBondContact OG1-OD1 2.93Å; T100-D114 PolarHBondContact OG1-OD2 2.86Å; Y112-D114 HydrophobicContact CD1-CB 4.38Å; Y112-D114 HydrophobicContact CE1-CB 4.16Å; Y112-D114 PolarHBondContact O-N 2.82Å
115D95.6Very high93.1Very high66 Ų6651.5 Ų51.535%0.35326%0.256SS..EExtended strand (participates in β ladder)trans-157.3116.7177.8-173.313.3000109.7A97 K98 Y113 T153A97-D115 CarbonylContact C-O 3.51Å; A97-D115 WeakPolarHBondContact CA-O 3.31Å; K98-D115 HydrophobicContact CB-CB 4.47Å; K98-D115 PolarHBondContact N-O 3.12Å; K98-D115 PolarHBondContact O-N 2.88Å; K98-D115 VanDerWaalsContact O-N 3.08Å; Y113-D115 PolarHBondContact O-N 3.18Å; D115-T153 PolarHBondContact OD1-OG1 2.98Å
116I96.6Very high93.4Very high3 Ų347.1 Ų47.12%0.01524%0.242CC..  trans-124.990.3176.1-53.6-65.1000106.9F61 A97 Y113 I120 K125 I151 T153F61-I116 HydrophobicContact CZ-CD1 3.97Å; A97-I116 HydrophobicContact CB-CD1 4.23Å; Y113-I116 HydrophobicContact CD1-CD1 4.16Å; Y113-I116 HydrophobicContact CD1-CG1 4.19Å; Y113-I116 HydrophobicContact CG-CG1 4.35Å; I116-I120 HydrophobicContact CG2-CD1 4.21Å; I116-I120 HydrophobicContact CG2-CG1 4.5Å; I116-K125 HydrophobicContact CG2-CD 3.84Å; I116-I151 HydrophobicContact CD1-CG2 4.42Å; I116-I151 HydrophobicContact CG1-CG2 4.4Å; I116-T153 PolarHBondContact N-OG1 3.29Å; I116-T153 PolarHBondContact O-OG1 2.73Å
117P96.2Very high94Very high26 Ų2641.2 Ų41.217%0.16921%0.21CC..  trans-62.9140.7-173.8-28.438.2000112.9V95 E96 A119 I120V95-P117 HydrophobicContact CG1-CB 3.63Å; V95-P117 HydrophobicContact CG1-CG 3.59Å; E96-P117 VanDerWaalsContact O-CD 3.24Å; E96-P117 WeakPolarHBondContact O-CD 3.39Å; E96-P117 VanDerWaalsContact O-CG 3.25Å; E96-P117 WeakPolarHBondContact O-CG 3.03Å; P117-A119 PolarHBondContact O-N 2.83Å; P117-A119 VanDerWaalsContact O-N 3.09Å; P117-I120 WeakPolarHBondContact O-CG1 3.44Å; P117-I120 PolarHBondContact O-N 2.83Å
118H94.9Very high94.5Very high154 Ų15442.5 Ų42.571%0.71322%0.216SC*.G310 helixtrans-56.4-29.7177.1-70.1-63.1000113.4I120 N121H118-I120 PolarHBondContact O-N 2.83Å; H118-I120 VanDerWaalsContact O-N 3.09Å; H118-N121 WeakPolarHBondContact O-CB 3.09Å; H118-N121 VanDerWaalsContact O-CG 3.23Å; H118-N121 PolarHBondContact O-N 2.93Å
119A95Very high94.7Very high51 Ų5141 Ų4142%0.42121%0.209SC..G310 helixtrans-56-25.6177.100000113.5V90 P117V90-A119 HydrophobicContact CG1-CB 4.3Å; P117-A119 PolarHBondContact O-N 2.83Å; P117-A119 VanDerWaalsContact O-N 3.09Å
120I95.2Very high94.8Very high0 Ų042 Ų420%022%0.217CC..G310 helixtrans-9910.5178.868.4148.6000113.7V63 V88 V90 V95 A97 I116 P117 H118 K122 Y123 K125V63-I120 HydrophobicContact CG1-CD1 3.96Å; V88-I120 HydrophobicContact CB-CG2 4.01Å; V88-I120 HydrophobicContact CG1-CG2 4.37Å; V88-I120 HydrophobicContact CG2-CG2 4.38Å; V90-I120 HydrophobicContact CG2-CG2 3.98Å; V95-I120 HydrophobicContact CB-CG2 4.25Å; V95-I120 HydrophobicContact CG1-CG2 4Å; A97-I120 HydrophobicContact CB-CD1 3.5Å; I116-I120 HydrophobicContact CG2-CD1 4.21Å; I116-I120 HydrophobicContact CG2-CG1 4.5Å; P117-I120 WeakPolarHBondContact O-CG1 3.44Å; P117-I120 PolarHBondContact O-N 2.83Å; H118-I120 PolarHBondContact O-N 2.83Å; H118-I120 VanDerWaalsContact O-N 3.09Å; I120-K122 PolarHBondContact O-N 2.8Å; I120-Y123 HydrophobicContact CB-CD2 3.92Å; I120-Y123 HydrophobicContact CG2-CD2 4.27Å; I120-Y123 PolarHBondContact O-N 3.31Å; I120-K125 HydrophobicContact CD1-CD 4.04Å; I120-K125 PolarHBondContact O-NZ 3.36Å
121N93.4Very high94.6Very high92 Ų9242 Ų4249%0.49222%0.216SC..THydrogen-bonded Turntrans-58.3-33.3-178.8-83.2-4000113.1H118 Y123 K125H118-N121 WeakPolarHBondContact O-CB 3.09Å; H118-N121 VanDerWaalsContact O-CG 3.23Å; H118-N121 PolarHBondContact O-N 2.93Å; N121-Y123 VanDerWaalsContact C-N 3.25Å; N121-Y123 PolarHBondContact O-N 2.82Å; N121-K125 PolarHBondContact O-NZ 2.89Å
122K93.1Very high94.1Very high143 Ų14344.7 Ų44.762%0.62223%0.228SC*.THydrogen-bonded Turntrans-67.6-19.2177.768.6-172.9-179-172.10114.6I120I120-K122 PolarHBondContact O-N 2.8Å
123Y95Very high93.4Very high40 Ų4044.4 Ų44.416%0.15723%0.228CC..SBendtrans-93.7139.4-179.7-56.9-71.4000110.8R65 V88 E89 V90 I120 N121 K125R65-Y123 HydrophobicContact CB-CD1 3.87Å; R65-Y123 HydrophobicContact CB-CE1 3.92Å; R65-Y123 HydrophobicContact CG-CD1 3.61Å; R65-Y123 HydrophobicContact CG-CE1 3.73Å; V88-Y123 HydrophobicContact CG1-CD2 3.73Å; V88-Y123 HydrophobicContact CG1-CE1 4.46Å; V88-Y123 HydrophobicContact CG1-CE2 3.54Å; V88-Y123 HydrophobicContact CG1-CG 4.28Å; E89-Y123 PolarHBondContact O-OH 3.01Å; V90-Y123 HydrophobicContact CG2-CE2 3.98Å; I120-Y123 HydrophobicContact CB-CD2 3.92Å; I120-Y123 HydrophobicContact CG2-CD2 4.27Å; I120-Y123 PolarHBondContact O-N 3.31Å; N121-Y123 VanDerWaalsContact C-N 3.25Å; N121-Y123 PolarHBondContact O-N 2.82Å; Y123-K125 PolarHBondContact O-N 3.28Å; Y123-K125 PolarHBondContact O-NZ 2.71Å
124K95.9Very high92.5Very high135 Ų13549.4 Ų49.459%0.58725%0.251SS*.  trans-64.8134.7-178.6-172.2176.5-179.7-179.50111.4D64 E148D64-K124 HydrophobicContact CB-CB 4.1Å; D64-K124 WeakPolarHBondContact CB-O 3.3Å; D64-K124 PolarHBondContact N-O 2.8Å; K124-E148 WeakPolarHBondContact CA-OE1 3.08Å
125K96Very high91.5Very high9 Ų949 Ų494%0.03925%0.25CS..EExtended strand (participates in β ladder)trans-122.1142.4175.1-67.9164-76.1-66.50110.6Y62 V63 I116 I120 N121 Y123 E148 I151Y62-K125 WeakPolarHBondContact O-CA 3.36Å; V63-K125 HydrophobicContact CG1-CG 4.26Å; V63-K125 HydrophobicContact CG2-CG 4.33Å; I116-K125 HydrophobicContact CG2-CD 3.84Å; I120-K125 HydrophobicContact CD1-CD 4.04Å; I120-K125 PolarHBondContact O-NZ 3.36Å; N121-K125 PolarHBondContact O-NZ 2.89Å; Y123-K125 PolarHBondContact O-N 3.28Å; Y123-K125 PolarHBondContact O-NZ 2.71Å; K125-E148 HydrophobicContact CB-CG 4.42Å; K125-E148 PolarHBondContact N-OE1 2.89Å; K125-I151 HydrophobicContact CB-CD1 4.06Å; K125-I151 HydrophobicContact CB-CG2 4.04Å; K125-I151 HydrophobicContact CD-CG2 4.02Å
126S95.5Very high90.1Very high41 Ų4150.3 Ų50.329%0.28728%0.279SS..EExtended strand (participates in β ladder)trans-145.2129.4177.5-175.90000110.9F61 Y62 T128F61-S126 CarbonylContact C-O 3.48Å; F61-S126 WeakPolarHBondContact CA-O 3.43Å; F61-S126 WeakPolarHBondContact CD2-O 3.38Å; Y62-S126 PolarHBondContact N-O 2.8Å; Y62-S126 PolarHBondContact O-N 3.06Å; S126-T128 WeakPolarHBondContact OG-CG2 3.35Å
127S96.1Very high88.9Confident0 Ų053 Ų530%031%0.308CS..EExtended strand (participates in β ladder)trans-120.5126166.9-68.60000108.4G60 F61 Y113 D145 V146G60-S127 CarbonylContact O-C 3.59Å; G60-S127 VanDerWaalsContact O-CA 3.3Å; G60-S127 WeakPolarHBondContact O-CA 3.18Å; F61-S127 WeakPolarHBondContact CD2-OG 3.3Å; Y113-S127 WeakPolarHBondContact CE1-OG 3.23Å; Y113-S127 WeakPolarHBondContact OH-CB 3.3Å; Y113-S127 PolarHBondContact OH-OG 3.08Å; S127-D145 WeakPolarHBondContact O-CA 3.32Å; S127-V146 PolarHBondContact O-N 3.28Å
128T94Very high87.9Confident40 Ų4057.8 Ų57.825%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-132.2145.1-173.367.40000110.5G60 S126 D145G60-T128 PolarHBondContact N-O 2.86Å; G60-T128 PolarHBondContact O-N 2.96Å; S126-T128 WeakPolarHBondContact OG-CG2 3.35Å; T128-D145 WeakPolarHBondContact CB-OD1 3.43Å; T128-D145 WeakPolarHBondContact CG2-OD1 3.33Å
129F92.1Very high87.1Confident6 Ų654.1 Ų54.13%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-130.7125.4170.8176-104.9000108.4F32 L50 K58 I59 I109 F111 I142 N143 A144 Y159F32-F129 HydrophobicContact CD2-CZ 4.35Å; F32-F129 AromaticContact CE2-CE1 3.89Å; F32-F129 HydrophobicContact CE2-CE1 3.89Å; F32-F129 HydrophobicContact CE2-CE2 4.46Å; F32-F129 AromaticContact CE2-CZ 3.35Å; F32-F129 HydrophobicContact CE2-CZ 3.35Å; F32-F129 AromaticContact CZ-CE1 3.87Å; F32-F129 HydrophobicContact CZ-CE1 3.87Å; F32-F129 AromaticContact CZ-CZ 3.46Å; F32-F129 HydrophobicContact CZ-CZ 3.46Å; F32-F129 VanDerWaalsContact CZ-CZ 3.46Å; L50-F129 HydrophobicContact CD1-CE2 4.1Å; K58-F129 CarbonylContact O-C 3.47Å; I59-F129 HydrophobicContact CD1-CE2 4.48Å; I59-F129 HydrophobicContact CG1-CD2 3.59Å; I59-F129 HydrophobicContact CG1-CE2 3.9Å; I109-F129 HydrophobicContact CD1-CD2 4.21Å; I109-F129 HydrophobicContact CD1-CE1 4.07Å; I109-F129 HydrophobicContact CD1-CE2 3.47Å; I109-F129 VanDerWaalsContact CD1-CE2 3.47Å; I109-F129 HydrophobicContact CD1-CZ 3.4Å; I109-F129 VanDerWaalsContact CD1-CZ 3.4Å; F111-F129 HydrophobicContact CE2-CB 4.15Å; F111-F129 HydrophobicContact CZ-CB 4.27Å; F129-I142 HydrophobicContact CE1-CD1 4.23Å; F129-N143 CarbonylContact O-C 3.51Å; F129-N143 WeakPolarHBondContact O-CA 3.36Å; F129-A144 HydrophobicContact CB-CB 4.41Å; F129-A144 PolarHBondContact N-O 2.97Å; F129-A144 PolarHBondContact O-N 2.9Å; F129-Y159 HydrophobicContact CB-CE2 4.39Å
130S90.2Very high86.4Confident22 Ų2255.8 Ų55.815%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-127.3146.9172.169.90000111.7G57 K58 I142 N143G57-S130 CarbonylContact C-O 3.59Å; G57-S130 WeakPolarHBondContact CA-O 3.46Å; K58-S130 PolarHBondContact N-O 2.71Å; K58-S130 PolarHBondContact N-OG 2Å; K58-S130 PolarHBondContact O-N 2.84Å; S130-I142 CarbonylContact C-O 3.55Å; S130-I142 WeakPolarHBondContact CA-O 3.31Å; S130-N143 WeakPolarHBondContact CB-OD1 2.94Å
131G88.4Confident85.8Confident0 Ų060.2 Ų60.20%034%0.336CS..EExtended strand (participates in β ladder)trans-152.9146.1-176.900000112I56 L141 I142I56-G131 CarbonylContact O-C 3.54Å; I56-G131 VanDerWaalsContact O-CA 3.28Å; I56-G131 WeakPolarHBondContact O-CA 3.44Å; G131-L141 CarbonylContact O-C 3.58Å; G131-L141 WeakPolarHBondContact O-CA 3.32Å; G131-I142 PolarHBondContact N-O 3.41Å; G131-I142 WeakPolarHBondContact O-CG1 2.98Å; G131-I142 PolarHBondContact O-N 3.13Å
132K86.2Confident85.3Confident61 Ų6157.8 Ų57.827%0.26532%0.323SS..EExtended strand (participates in β ladder)trans-97.8127.7173.6-72.3168.7163.3-149.50108.6H55 I56 E139 K140 L141H55-K132 WeakPolarHBondContact O-CD 3.41Å; I56-K132 PolarHBondContact O-N 3.09Å; K132-E139 HydrophobicContact CB-CG 3.98Å; K132-E139 HydrophobicContact CD-CG 4.43Å; K132-E139 WeakPolarHBondContact CD-OE1 3.23Å; K132-E139 WeakPolarHBondContact CE-OE1 3.09Å; K132-E139 HydrophobicContact CG-CG 4.17Å; K132-E139 IonicContact NZ-OE1 2.84Å; K132-E139 PolarHBondContact NZ-OE1 2.93Å; K132-K140 WeakPolarHBondContact CA-O 3.09Å; K132-L141 HydrophobicContact CG-CD1 4.07Å
133I80.9Confident85Confident14 Ų1456 Ų567%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-125142.7-177.271170.2000108.8H33 C135 E139 K140 I142H33-I133 HydrophobicContact CB-CB 4.17Å; H33-I133 HydrophobicContact CB-CG2 3.91Å; H33-I133 WeakPolarHBondContact CD2-CG2 3.4Å; H33-I133 VanDerWaalsContact CE1-CG2 3.47Å; H33-I133 WeakPolarHBondContact CE1-CG2 3.23Å; H33-I133 WeakPolarHBondContact ND1-CG2 3.09Å; H33-I133 WeakPolarHBondContact NE2-CG2 3.33Å; I133-C135 VanDerWaalsContact CD1-SG 3.51Å; I133-E139 CarbonylContact O-C 3.59Å; I133-E139 WeakPolarHBondContact O-CA 3.41Å; I133-K140 HydrophobicContact CG1-CB 3.96Å; I133-K140 WeakPolarHBondContact CG1-O 3.39Å; I133-K140 PolarHBondContact N-O 2.83Å; I133-K140 PolarHBondContact O-N 3.12Å; I133-I142 HydrophobicContact CD1-CG2 3.69Å; I133-I142 HydrophobicContact CG1-CG2 4.17Å; I133-I142 HydrophobicContact CG2-CD1 4Å; I133-I142 HydrophobicContact CG2-CG1 4.1Å; I133-I142 HydrophobicContact CG2-CG2 4.39Å
134Q77Confident84.7Confident104 Ų10455.3 Ų55.349%0.48632%0.322SS..EExtended strand (participates in β ladder)trans-92.1116.6176.9-77.6-73-28.900109C165Q134-C165 PolarHBondContact O-SG 3.44Å
135C73.4Confident84.4Confident23 Ų2353.8 Ų53.816%0.15532%0.321CS..EExtended strand (participates in β ladder)trans-123.2102.5-178.8-65.80000109.9I133 G137 D138 C165I133-C135 VanDerWaalsContact CD1-SG 3.51Å; C135-G137 PolarHBondContact O-N 3.5Å; C135-G137 VanDerWaalsContact O-N 3.16Å; C135-D138 PolarHBondContact N-O 2.86Å; C135-D138 PolarHBondContact O-N 2.8Å; C135-C165 WeakPolarHBondContact CA-SG 3.33Å; C135-C165 HydrophobicContact CB-CB 3.38Å; C135-C165 WeakPolarHBondContact CB-SG 3.18Å; C135-C165 WeakPolarHBondContact SG-CB 3.47Å; C135-C165 CovalentContact SG-SG 2.04Å; C135-C165 PolarHBondContact SG-SG 3.3Å
136G67.9Low84.3Confident92 Ų9253.7 Ų53.795%0.94832%0.321SS*.THydrogen-bonded Turntrans60.825.2175.600000114.9
137G71.5Confident84.1Confident61 Ų6154.7 Ų54.763%0.62933%0.326SS*.THydrogen-bonded Turntrans101.6-18.8-175.600000114.4C135C135-G137 PolarHBondContact O-N 3.5Å; C135-G137 VanDerWaalsContact O-N 3.16Å
138D73.8Confident83.9Confident126 Ų12658.6 Ų58.667%0.67435%0.345SS*.EExtended strand (participates in β ladder)trans-92.5136.9177.6-67.9-36.6000111.7C135C135-D138 PolarHBondContact N-O 2.86Å; C135-D138 PolarHBondContact O-N 2.8Å
139E78.7Confident83.9Confident76 Ų7663 Ų6336%0.35536%0.36SS..EExtended strand (participates in β ladder)trans-81.3118.1169.5-178.4168.7105.500109.9K54 K132 I133K54-E139 WeakPolarHBondContact CE-OE2 3.41Å; K54-E139 IonicContact NZ-OE1 2.68Å; K54-E139 IonicContact NZ-OE2 2.84Å; K54-E139 PolarHBondContact NZ-OE2 3.35Å; K132-E139 HydrophobicContact CB-CG 3.98Å; K132-E139 HydrophobicContact CD-CG 4.43Å; K132-E139 WeakPolarHBondContact CD-OE1 3.23Å; K132-E139 WeakPolarHBondContact CE-OE1 3.09Å; K132-E139 HydrophobicContact CG-CG 4.17Å; K132-E139 IonicContact NZ-OE1 2.84Å; K132-E139 PolarHBondContact NZ-OE1 2.93Å; I133-E139 CarbonylContact O-C 3.59Å; I133-E139 WeakPolarHBondContact O-CA 3.41Å
140K80.6Confident83.9Confident86 Ų8665.5 Ų65.537%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-108.9134.1175-171.9168.8-174.2166.40110.8K132 I133 R167K132-K140 WeakPolarHBondContact CA-O 3.09Å; I133-K140 HydrophobicContact CG1-CB 3.96Å; I133-K140 WeakPolarHBondContact CG1-O 3.39Å; I133-K140 PolarHBondContact N-O 2.83Å; I133-K140 PolarHBondContact O-N 3.12Å; K140-R167 VanDerWaalsContact NZ-CZ 3.35Å
141L82.2Confident84.2Confident93 Ų9364.7 Ų64.749%0.48736%0.364SS..EExtended strand (participates in β ladder)trans-84.3123169.3-172.470.1000109.4G131 K132G131-L141 CarbonylContact O-C 3.58Å; G131-L141 WeakPolarHBondContact O-CA 3.32Å; K132-L141 HydrophobicContact CG-CD1 4.07Å
142I84Confident84.5Confident41 Ų4168.6 Ų68.621%0.2138%0.381CS..EExtended strand (participates in β ladder)trans-97.3135.2164.760.1168000108.4F32 F129 S130 G131 I133F32-I142 HydrophobicContact CZ-CD1 4.27Å; F129-I142 HydrophobicContact CE1-CD1 4.23Å; S130-I142 CarbonylContact C-O 3.55Å; S130-I142 WeakPolarHBondContact CA-O 3.31Å; G131-I142 PolarHBondContact N-O 3.41Å; G131-I142 WeakPolarHBondContact O-CG1 2.98Å; G131-I142 PolarHBondContact O-N 3.13Å; I133-I142 HydrophobicContact CD1-CG2 3.69Å; I133-I142 HydrophobicContact CG1-CG2 4.17Å; I133-I142 HydrophobicContact CG2-CD1 4Å; I133-I142 HydrophobicContact CG2-CG1 4.1Å; I133-I142 HydrophobicContact CG2-CG2 4.39Å
143N86.4Confident85Confident105 Ų10568.9 Ų68.956%0.56139%0.387SS*.EExtended strand (participates in β ladder)trans-125.4135.9171.1-63.6-45.9000107.3F129 S130F129-N143 CarbonylContact O-C 3.51Å; F129-N143 WeakPolarHBondContact O-CA 3.36Å; S130-N143 WeakPolarHBondContact CB-OD1 2.94Å
144A87.2Confident85.6Confident26 Ų2668.5 Ų68.522%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-135.2111.6177.400000108.2F129 Y159F129-A144 HydrophobicContact CB-CB 4.41Å; F129-A144 PolarHBondContact N-O 2.97Å; F129-A144 PolarHBondContact O-N 2.9Å; A144-Y159 HydrophobicContact CB-CD1 3.94Å; A144-Y159 HydrophobicContact CB-CE1 3.35Å
145D91Very high86.4Confident104 Ų10463.6 Ų63.656%0.55637%0.365SS*.EExtended strand (participates in β ladder)trans-102.2138.7177.8-58.5-39.1000108.8S127 T128 P147S127-D145 WeakPolarHBondContact O-CA 3.32Å; T128-D145 WeakPolarHBondContact CB-OD1 3.43Å; T128-D145 WeakPolarHBondContact CG2-OD1 3.33Å; D145-P147 WeakPolarHBondContact O-CD 3.27Å
146V92.8Very high87.3Confident6 Ų663.2 Ų63.24%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-79.7120168.6-1760000107.7Y113 S127 E148 W150 I151 V157 Y159Y113-V146 HydrophobicContact CE2-CG1 4.32Å; Y113-V146 WeakPolarHBondContact OH-CB 3.36Å; Y113-V146 WeakPolarHBondContact OH-CG1 3.28Å; Y113-V146 WeakPolarHBondContact OH-CG2 3.5Å; S127-V146 PolarHBondContact O-N 3.28Å; V146-E148 PolarHBondContact O-N 3.1Å; V146-W150 HydrophobicContact CG1-CB 4.14Å; V146-I151 HydrophobicContact CB-CD1 4.49Å; V146-I151 HydrophobicContact CB-CG1 4.31Å; V146-I151 HydrophobicContact CG1-CG1 3.89Å; V146-V157 HydrophobicContact CG1-CG2 3.8Å; V146-V157 HydrophobicContact CG2-CB 4.25Å; V146-V157 HydrophobicContact CG2-CG1 4.08Å; V146-V157 HydrophobicContact CG2-CG2 3.96Å; V146-Y159 VanDerWaalsContact CG2-OH 3.28Å; V146-Y159 WeakPolarHBondContact CG2-OH 3.03Å
147P91.7Very high88.5Confident62 Ų6259 Ų5940%0.40332%0.317SS..PPolyproline II helixtrans-56.4131.7174.7-2331.7000110.3D145 K149 W150D145-P147 WeakPolarHBondContact O-CD 3.27Å; P147-K149 HydrophobicContact CB-CG 4.27Å; P147-K149 PolarHBondContact O-N 3.09Å; P147-W150 WeakPolarHBondContact O-CB 3.21Å; P147-W150 PolarHBondContact O-N 2.82Å
148E93Very high89.5Confident83 Ų8356.8 Ų56.839%0.38829%0.29SS..G310 helixtrans-53.9-35-171.7-177.2167.3-162.100113.6K124 K125 V146 W150 I151K124-E148 WeakPolarHBondContact CA-OE1 3.08Å; K125-E148 HydrophobicContact CB-CG 4.42Å; K125-E148 PolarHBondContact N-OE1 2.89Å; V146-E148 PolarHBondContact O-N 3.1Å; E148-W150 PolarHBondContact O-N 3.3Å; E148-W150 VanDerWaalsContact O-N 3.07Å; E148-I151 WeakPolarHBondContact O-CB 3.43Å; E148-I151 PolarHBondContact O-N 3.47Å
149K92.3Very high90Very high131 Ų13152.8 Ų52.857%0.5727%0.266SS*.G310 helixtrans-59.2-19.6175.867172.8-173.4158.10115P147P147-K149 HydrophobicContact CB-CG 4.27Å; P147-K149 PolarHBondContact O-N 3.09Å
150W93.2Very high89.8Confident59 Ų5955.7 Ų55.722%0.22328%0.279CS..G310 helixtrans-96.8-10.4177.9-59129.5000112.7I2 L4 V146 P147 E148 K152 T155I2-W150 HydrophobicContact CD1-CB 4.37Å; I2-W150 VanDerWaalsContact CD1-CD1 3.44Å; I2-W150 HydrophobicContact CD1-CG 3.94Å; I2-W150 HydrophobicContact CG2-CB 4.29Å; I2-W150 HydrophobicContact CG2-CD2 4.37Å; I2-W150 HydrophobicContact CG2-CG 4.24Å; L4-W150 HydrophobicContact CD1-CE3 4.47Å; L4-W150 HydrophobicContact CD1-CZ3 3.95Å; L4-W150 HydrophobicContact CD2-CE3 3.98Å; L4-W150 HydrophobicContact CD2-CZ3 4.28Å; V146-W150 HydrophobicContact CG1-CB 4.14Å; P147-W150 WeakPolarHBondContact O-CB 3.21Å; P147-W150 PolarHBondContact O-N 2.82Å; E148-W150 PolarHBondContact O-N 3.3Å; E148-W150 VanDerWaalsContact O-N 3.07Å; W150-K152 VanDerWaalsContact C-N 3.27Å; W150-K152 PolarHBondContact O-N 2.86Å; W150-T155 WeakPolarHBondContact O-CB 3.39Å; W150-T155 WeakPolarHBondContact O-CG2 3.48Å; W150-T155 PolarHBondContact O-OG1 2.02Å
151I95.4Very high89Confident5 Ų554.5 Ų54.53%0.02628%0.276CS..  trans-7880.1174.8-55.4-177.1000108.4F61 Y113 I116 K125 V146 E148F61-I151 HydrophobicContact CE2-CG2 4.21Å; Y113-I151 HydrophobicContact CD1-CG2 3.73Å; Y113-I151 HydrophobicContact CE1-CB 4.17Å; Y113-I151 HydrophobicContact CE1-CG1 4.08Å; Y113-I151 HydrophobicContact CE1-CG2 3.53Å; Y113-I151 HydrophobicContact CE2-CG1 4.5Å; Y113-I151 HydrophobicContact CG-CG2 4.48Å; I116-I151 HydrophobicContact CD1-CG2 4.42Å; I116-I151 HydrophobicContact CG1-CG2 4.4Å; K125-I151 HydrophobicContact CB-CD1 4.06Å; K125-I151 HydrophobicContact CB-CG2 4.04Å; K125-I151 HydrophobicContact CD-CG2 4.02Å; V146-I151 HydrophobicContact CB-CD1 4.49Å; V146-I151 HydrophobicContact CB-CG1 4.31Å; V146-I151 HydrophobicContact CG1-CG1 3.89Å; E148-I151 WeakPolarHBondContact O-CB 3.43Å; E148-I151 PolarHBondContact O-N 3.47Å
152K95Very high87.9Confident83 Ų8354.7 Ų54.736%0.36129%0.286SS..SBendtrans-143.6156.6-179.654.7178.4174.4171.50110.2Y113 W150 G154 T155Y113-K152 VanDerWaalsContact CB-O 3.27Å; Y113-K152 WeakPolarHBondContact CB-O 3.45Å; W150-K152 VanDerWaalsContact C-N 3.27Å; W150-K152 PolarHBondContact O-N 2.86Å; K152-G154 PolarHBondContact O-N 3.35Å; K152-T155 VanDerWaalsContact CG-OG1 3.29Å; K152-T155 WeakPolarHBondContact CG-OG1 3.4Å; K152-T155 WeakPolarHBondContact O-CB 3.44Å; K152-T155 PolarHBondContact O-N 3.42Å; K152-T155 VanDerWaalsContact O-N 3.1Å; K152-T155 PolarHBondContact O-OG1 2.78Å
153T96.3Very high86.4Confident66 Ų6656 Ų5641%0.40531%0.309SS..THydrogen-bonded Turntrans-48.6133-179.3-57.30000111.9D115 I116 T155D115-T153 PolarHBondContact OD1-OG1 2.98Å; I116-T153 PolarHBondContact N-OG1 3.29Å; I116-T153 PolarHBondContact O-OG1 2.73Å; T153-T155 VanDerWaalsContact C-N 3.27Å; T153-T155 PolarHBondContact O-N 3.45Å
154G93.8Very high84.9Confident7 Ų756 Ų567%0.07231%0.309CS..THydrogen-bonded Turntrans77.23.7177.700000114.8N5 Q6 Y113 K152N5-G154 PolarHBondContact N-O 3.08Å; N5-G154 VanDerWaalsContact N-O 3.14Å; Q6-G154 PolarHBondContact N-O 2.94Å; Y113-G154 PolarHBondContact O-N 2.83Å; K152-G154 PolarHBondContact O-N 3.35Å
155T93.9Very high83.4Confident1 Ų157.2 Ų57.21%0.00632%0.315CS..  trans-75.8135.1171.1-61.70000110.6I2 R3 L4 Y112 Y113 W150 K152 T153 V157I2-T155 HydrophobicContact CG2-CG2 3.79Å; R3-T155 CarbonylContact O-C 3.53Å; R3-T155 WeakPolarHBondContact O-CA 3.48Å; L4-T155 HydrophobicContact CD2-CG2 4Å; L4-T155 WeakPolarHBondContact CD2-OG1 3.31Å; Y112-T155 WeakPolarHBondContact CA-O 3.33Å; Y113-T155 HydrophobicContact CD2-CG2 4.03Å; Y113-T155 WeakPolarHBondContact CD2-O 3.43Å; Y113-T155 HydrophobicContact CE2-CG2 4.21Å; Y113-T155 PolarHBondContact N-O 2.98Å; W150-T155 WeakPolarHBondContact O-CB 3.39Å; W150-T155 WeakPolarHBondContact O-CG2 3.48Å; W150-T155 PolarHBondContact O-OG1 2.02Å; K152-T155 VanDerWaalsContact CG-OG1 3.29Å; K152-T155 WeakPolarHBondContact CG-OG1 3.4Å; K152-T155 WeakPolarHBondContact O-CB 3.44Å; K152-T155 PolarHBondContact O-N 3.42Å; K152-T155 VanDerWaalsContact O-N 3.1Å; K152-T155 PolarHBondContact O-OG1 2.78Å; T153-T155 VanDerWaalsContact C-N 3.27Å; T153-T155 PolarHBondContact O-N 3.45Å; T155-V157 HydrophobicContact CG2-CG2 4.09Å
156L93.7Very high81.5Confident15 Ų1556.5 Ų56.58%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-115.1122.9168-179.366.8000109.3I2 R3 Q6 P9 F111 Y112 E158I2-L156 CarbonylContact C-O 3.54Å; I2-L156 WeakPolarHBondContact CA-O 3.31Å; R3-L156 PolarHBondContact N-O 2.99Å; R3-L156 PolarHBondContact O-N 3.36Å; Q6-L156 HydrophobicContact CB-CB 4.08Å; Q6-L156 HydrophobicContact CG-CB 3.73Å; Q6-L156 HydrophobicContact CG-CD2 4.4Å; P9-L156 HydrophobicContact CG-CD1 4.2Å; F111-L156 CarbonylContact O-C 3.57Å; F111-L156 WeakPolarHBondContact O-CA 3.37Å; Y112-L156 HydrophobicContact CD2-CB 4.34Å; Y112-L156 HydrophobicContact CD2-CD1 4.27Å; L156-E158 HydrophobicContact CD1-CG 4.35Å; L156-E158 HydrophobicContact CD2-CG 3.98Å; L156-E158 HydrophobicContact CG-CG 3.87Å
157V93Very high79.7Confident3 Ų362 Ų622%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-108.4122.9170.2-176.70000108.2M1 I2 S110 F111 Y113 V146 T155 Y159M1-V157 WeakPolarHBondContact O-CA 3.43Å; I2-V157 HydrophobicContact CG1-CG1 4.23Å; I2-V157 HydrophobicContact CG1-CG2 4.11Å; I2-V157 HydrophobicContact CG2-CG2 4.3Å; S110-V157 CarbonylContact C-O 3.5Å; S110-V157 WeakPolarHBondContact CA-O 2.87Å; F111-V157 HydrophobicContact CB-CB 4.33Å; F111-V157 PolarHBondContact N-O 2.87Å; F111-V157 PolarHBondContact O-N 2.74Å; Y113-V157 HydrophobicContact CE2-CG2 4.07Å; V146-V157 HydrophobicContact CG1-CG2 3.8Å; V146-V157 HydrophobicContact CG2-CB 4.25Å; V146-V157 HydrophobicContact CG2-CG1 4.08Å; V146-V157 HydrophobicContact CG2-CG2 3.96Å; T155-V157 HydrophobicContact CG2-CG2 4.09Å; V157-Y159 HydrophobicContact CG1-CD2 4.42Å; V157-Y159 HydrophobicContact CG1-CE1 4.31Å; V157-Y159 HydrophobicContact CG1-CE2 3.8Å
158E90.8Very high78Confident14 Ų1460.1 Ų60.17%0.06532%0.323CS..EExtended strand (participates in β ladder)trans-113.9126.9175.2-56.6-162.1126.300109.9M1 K108 I109 S110 L156M1-E158 HydrophobicContact CE-CB 4.21Å; M1-E158 HydrophobicContact CE-CG 4.27Å; M1-E158 WeakPolarHBondContact CE-OE2 3.28Å; M1-E158 PolarHBondContact N-O 3.46Å; M1-E158 PolarHBondContact O-N 2.79Å; K108-E158 WeakPolarHBondContact CD-OE1 3.31Å; K108-E158 IonicContact NZ-OE1 3.84Å; K108-E158 IonicContact NZ-OE2 3.67Å; K108-E158 PolarHBondContact NZ-OE2 3.32Å; I109-E158 WeakPolarHBondContact O-CA 2.85Å; S110-E158 PolarHBondContact OG-OE1 3.1Å; L156-E158 HydrophobicContact CD1-CG 4.35Å; L156-E158 HydrophobicContact CD2-CG 3.98Å; L156-E158 HydrophobicContact CG-CG 3.87Å
159Y85.4Confident76.3Confident43 Ų4365.4 Ų65.417%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-97.8116.4169.3-62.3-74.4000108.2I109 F111 F129 A144 V146 V157I109-Y159 HydrophobicContact CG2-CD2 4.25Å; I109-Y159 PolarHBondContact N-O 2.77Å; I109-Y159 PolarHBondContact O-N 2.91Å; F111-Y159 AromaticContact CD2-CD2 4Å; F111-Y159 HydrophobicContact CD2-CD2 4Å; F111-Y159 AromaticContact CD2-CE2 3.5Å; F111-Y159 HydrophobicContact CD2-CE2 3.5Å; F111-Y159 AromaticContact CE2-CD2 3.91Å; F111-Y159 HydrophobicContact CE2-CD2 3.91Å; F111-Y159 AromaticContact CE2-CE2 3.43Å; F111-Y159 HydrophobicContact CE2-CE2 3.43Å; F111-Y159 VanDerWaalsContact CE2-CE2 3.43Å; F129-Y159 HydrophobicContact CB-CE2 4.39Å; A144-Y159 HydrophobicContact CB-CD1 3.94Å; A144-Y159 HydrophobicContact CB-CE1 3.35Å; V146-Y159 VanDerWaalsContact CG2-OH 3.28Å; V146-Y159 WeakPolarHBondContact CG2-OH 3.03Å; V157-Y159 HydrophobicContact CG1-CD2 4.42Å; V157-Y159 HydrophobicContact CG1-CE1 4.31Å; V157-Y159 HydrophobicContact CG1-CE2 3.8Å
160E74.2Confident74.8Confident136 Ų13661.7 Ų61.764%0.63634%0.335SS*.  trans-105.6129.2165.2-70.1-176.1-177.100107.4K108 S162K108-E160 WeakPolarHBondContact CE-OE1 3.3Å; K108-E160 IonicContact NZ-OE1 3.31Å; K108-E160 PolarHBondContact NZ-OE1 3.03Å; E160-S162 PolarHBondContact O-N 2.81Å
161I64Low73.7Confident61 Ų6163.1 Ų63.131%0.31334%0.343SS..  trans-80.3107.8176.8-70.7161.7000106.1F32 H33 G163F32-I161 HydrophobicContact CD2-CD1 3.78Å; F32-I161 HydrophobicContact CE2-CD1 3.56Å; H33-I161 WeakPolarHBondContact CE1-CG2 2.99Å; H33-I161 WeakPolarHBondContact NE2-CG1 3.23Å; H33-I161 WeakPolarHBondContact NE2-CG2 3.48Å; I161-G163 PolarHBondContact O-N 3.28Å
162S57.9Low72.5Confident98 Ų9865.9 Ų65.969%0.68537%0.367SS*.  trans-67.8128166.7-174.40000108.4E160 D164E160-S162 PolarHBondContact O-N 2.81Å; S162-D164 PolarHBondContact O-N 2.92Å; S162-D164 VanDerWaalsContact O-N 3.09Å
163G53.1Low71.4Confident69 Ų6965.2 Ų65.271%0.71137%0.369SS*.SBendtrans-67.1-7.9-163.500000116.1I161I161-G163 PolarHBondContact O-N 3.28Å
164D54.5Low70.2Confident105 Ų10562 Ų6256%0.56135%0.35SS*.  trans-111109.4-169.6-76.1-32.7000113.2S162 T166S162-D164 PolarHBondContact O-N 2.92Å; S162-D164 VanDerWaalsContact O-N 3.09Å; D164-T166 WeakPolarHBondContact CB-OG1 3.41Å; D164-T166 PolarHBondContact O-N 2.98Å
165C55.8Low69.2Low50 Ų5066.6 Ų66.634%0.33837%0.369SS..SBendtrans-58.1-18.3159.9-89.50000112.7Q134 C135 R167Q134-C165 PolarHBondContact O-SG 3.44Å; C135-C165 WeakPolarHBondContact CA-SG 3.33Å; C135-C165 HydrophobicContact CB-CB 3.38Å; C135-C165 WeakPolarHBondContact CB-SG 3.18Å; C135-C165 WeakPolarHBondContact SG-CB 3.47Å; C135-C165 CovalentContact SG-SG 2.04Å; C135-C165 PolarHBondContact SG-SG 3.3Å; C165-R167 PolarHBondContact O-N 2.83Å; C165-R167 VanDerWaalsContact O-N 3.14Å
166T51.4Low68Low90 Ų9070.2 Ų70.255%0.55241%0.406SS*.  trans-78.781.1169.522.20000110.1D164 P168D164-T166 WeakPolarHBondContact CB-OG1 3.41Å; D164-T166 PolarHBondContact O-N 2.98Å; T166-P168 WeakPolarHBondContact O-CD 3.15Å
167R55.2Low66.6Low122 Ų12272 Ų7246%0.4642%0.424SS..  trans-63126.1161.3-61.2-179.6-169.6-172.4-3.4107.5K140 C165 K169K140-R167 VanDerWaalsContact NZ-CZ 3.35Å; C165-R167 PolarHBondContact O-N 2.83Å; C165-R167 VanDerWaalsContact O-N 3.14Å; R167-K169 PolarHBondContact O-N 2.87Å
168P55.6Low65.2Low22 Ų2275.9 Ų75.914%0.14344%0.443CS..  trans-63102.6177.822.5-30.4000109.6T166 V173 C174 W193T166-P168 WeakPolarHBondContact O-CD 3.15Å; P168-V173 HydrophobicContact CB-CB 3.73Å; P168-V173 HydrophobicContact CB-CG1 3.75Å; P168-C174 HydrophobicContact CB-CB 3.79Å; P168-C174 HydrophobicContact CG-CB 4.02Å; P168-W193 HydrophobicContact CB-CB 4.24Å; P168-W193 HydrophobicContact CG-CB 4.13Å; P168-W193 PolarHBondContact O-N 3.14Å
169K57.3Low63.8Low193 Ų19379 Ų7984%0.83946%0.463SS*.SBendtrans-75.3-17.3171.3-71.8-174.5179.5177.80111.5R167R167-K169 PolarHBondContact O-N 2.87Å
170S61.7Low62.6Low53 Ų5383.3 Ų83.337%0.37150%0.496SS..SBendtrans-127154.3177.459.80000110.2A172 V173 C174 W193S170-A172 PolarHBondContact O-N 2.85Å; S170-V173 PolarHBondContact O-N 2.97Å; S170-V173 WeakPolarHBondContact OG-CG2 3.01Å; S170-C174 PolarHBondContact O-N 2.87Å; S170-W193 VanDerWaalsContact C-CD1 3.44Å
171F69.4Low61.8Low89 Ų8982.7 Ų82.739%0.3950%0.497SS..Hα-helixtrans-53.8-43.7173.1-179-103.9000111.4V173 C174 E175 C184 W193F171-V173 VanDerWaalsContact C-N 3.27Å; F171-V173 PolarHBondContact O-N 2.96Å; F171-C174 CarbonylContact O-C 3.41Å; F171-C174 WeakPolarHBondContact O-CA 3.48Å; F171-C174 WeakPolarHBondContact O-CB 3.22Å; F171-C174 PolarHBondContact O-N 2.8Å; F171-E175 HydrophobicContact CE1-CB 4.35Å; F171-E175 HydrophobicContact CE1-CG 4.46Å; F171-E175 WeakPolarHBondContact CE1-OE2 3.48Å; F171-E175 WeakPolarHBondContact O-CB 3.15Å; F171-E175 PolarHBondContact O-N 3.47Å; F171-C184 HydrophobicContact CD2-CB 4.17Å; F171-C184 HydrophobicContact CE2-CB 3.79Å; F171-W193 HydrophobicContact CB-CD2 4.25Å; F171-W193 HydrophobicContact CB-CH2 4.23Å; F171-W193 HydrophobicContact CB-CZ2 3.84Å; F171-W193 HydrophobicContact CD2-CD2 4.14Å; F171-W193 AromaticContact CD2-CE3 3.68Å; F171-W193 HydrophobicContact CD2-CE3 3.68Å; F171-W193 AromaticContact CD2-CH2 3.63Å; F171-W193 HydrophobicContact CD2-CH2 3.63Å; F171-W193 HydrophobicContact CD2-CZ2 4.11Å; F171-W193 AromaticContact CD2-CZ3 3.41Å; F171-W193 HydrophobicContact CD2-CZ3 3.41Å; F171-W193 VanDerWaalsContact CD2-CZ3 3.41Å; F171-W193 HydrophobicContact CE2-CE3 4.44Å; F171-W193 HydrophobicContact CE2-CH2 4.43Å; F171-W193 HydrophobicContact CE2-CZ3 4.01Å; F171-W193 HydrophobicContact CG-CH2 4.3Å; F171-W193 HydrophobicContact CG-CZ2 4.41Å; F171-W193 HydrophobicContact CG-CZ3 4.43Å
172A71.4Confident61.9Low64 Ų6480.1 Ų80.153%0.52948%0.484SS..Hα-helixtrans-58.4-33.7-179.900000114.3S170 G176S170-A172 PolarHBondContact O-N 2.85Å; A172-G176 PolarHBondContact O-N 2.85Å
173V70.9Confident62.6Low68 Ų6878 Ų7841%0.41247%0.47SS..Hα-helixtrans-75.4-31.5176.3179.40000110.8P168 S170 F171P168-V173 HydrophobicContact CB-CB 3.73Å; P168-V173 HydrophobicContact CB-CG1 3.75Å; S170-V173 PolarHBondContact O-N 2.97Å; S170-V173 WeakPolarHBondContact OG-CG2 3.01Å; F171-V173 VanDerWaalsContact C-N 3.27Å; F171-V173 PolarHBondContact O-N 2.96Å
174C70.9Confident63.6Low0 Ų075.8 Ų75.80%044%0.443CS..Hα-helixtrans-68.3-46.8173.7-169.50000109.9P168 S170 F171 G176 A177 M178 C184 W193 N195P168-C174 HydrophobicContact CB-CB 3.79Å; P168-C174 HydrophobicContact CG-CB 4.02Å; S170-C174 PolarHBondContact O-N 2.87Å; F171-C174 CarbonylContact O-C 3.41Å; F171-C174 WeakPolarHBondContact O-CA 3.48Å; F171-C174 WeakPolarHBondContact O-CB 3.22Å; F171-C174 PolarHBondContact O-N 2.8Å; C174-G176 PolarHBondContact O-N 3.05Å; C174-A177 PolarHBondContact O-N 3.32Å; C174-A177 VanDerWaalsContact O-N 3.09Å; C174-M178 PolarHBondContact O-N 2.9Å; C174-C184 VanDerWaalsContact CA-SG 3.58Å; C174-C184 HydrophobicContact CB-CB 3.84Å; C174-C184 WeakPolarHBondContact CB-SG 3.44Å; C174-C184 PolarHBondContact O-SG 3.13Å; C174-C184 VanDerWaalsContact O-SG 3.36Å; C174-C184 WeakPolarHBondContact SG-CB 3.39Å; C174-C184 CovalentContact SG-SG 2.02Å; C174-C184 PolarHBondContact SG-SG 3.09Å; C174-W193 HydrophobicContact CB-CB 3.77Å; C174-W193 HydrophobicContact CB-CG 4.43Å; C174-N195 PolarHBondContact SG-OD1 3.38Å
175E73.8Confident64.9Low103 Ų10373.3 Ų73.348%0.48143%0.427SS..Hα-helixtrans-63.2-43.1-179.8-167.4178.1-162.500112F171 A177 M178F171-E175 HydrophobicContact CE1-CB 4.35Å; F171-E175 HydrophobicContact CE1-CG 4.46Å; F171-E175 WeakPolarHBondContact CE1-OE2 3.48Å; F171-E175 WeakPolarHBondContact O-CB 3.15Å; F171-E175 PolarHBondContact O-N 3.47Å; E175-A177 PolarHBondContact O-N 2.79Å; E175-A177 VanDerWaalsContact O-N 3.13Å; E175-M178 VanDerWaalsContact CA-SD 3.55Å; E175-M178 HydrophobicContact CB-SD 4.07Å; E175-M178 HydrophobicContact CG-SD 3.62Å; E175-M178 VanDerWaalsContact O-CB 3.31Å; E175-M178 WeakPolarHBondContact O-CB 3.48Å; E175-M178 VanDerWaalsContact O-CG 3.32Å; E175-M178 WeakPolarHBondContact O-CG 2.96Å; E175-M178 PolarHBondContact O-N 3.3Å; E175-M178 VanDerWaalsContact O-N 3.08Å
176G68.3Low66Low76 Ų7675.9 Ų75.978%0.78443%0.43SS*.THydrogen-bonded Turntrans-64.5-15.6175.500000114.6A172 C174A172-G176 PolarHBondContact O-N 2.85Å; C174-G176 PolarHBondContact O-N 3.05Å
177A63.9Low66.9Low54 Ų5471.6 Ų71.645%0.44640%0.404SS..THydrogen-bonded Turntrans-103.18.7176.800000113C174 E175 N195C174-A177 PolarHBondContact O-N 3.32Å; C174-A177 VanDerWaalsContact O-N 3.09Å; E175-A177 PolarHBondContact O-N 2.79Å; E175-A177 VanDerWaalsContact O-N 3.13Å; A177-N195 PolarHBondContact O-ND2 2.89Å
178M64.2Low67.5Low83 Ų8370.4 Ų70.441%0.40941%0.406SS..  trans-68.3139.6-179.3-73.8168102.100112.1C174 E175 T182C174-M178 PolarHBondContact O-N 2.9Å; E175-M178 VanDerWaalsContact CA-SD 3.55Å; E175-M178 HydrophobicContact CB-SD 4.07Å; E175-M178 HydrophobicContact CG-SD 3.62Å; E175-M178 VanDerWaalsContact O-CB 3.31Å; E175-M178 WeakPolarHBondContact O-CB 3.48Å; E175-M178 VanDerWaalsContact O-CG 3.32Å; E175-M178 WeakPolarHBondContact O-CG 2.96Å; E175-M178 PolarHBondContact O-N 3.3Å; E175-M178 VanDerWaalsContact O-N 3.08Å; M178-T182 WeakPolarHBondContact CE-O 3.29Å
179T61.6Low68Low81 Ų8176.6 Ų76.650%0.49743%0.431SS..  trans-92.6160.5151.944.60000109.2D181 T182T179-D181 PolarHBondContact O-N 2.9Å; T179-T182 WeakPolarHBondContact O-CB 3.32Å; T179-T182 PolarHBondContact O-N 2.77Å; T179-T182 VanDerWaalsContact O-N 3.08Å; T179-T182 PolarHBondContact OG1-OG1 3.21Å
180P58.9Low68.2Low132 Ų13268.3 Ų68.386%0.85740%0.399SS*.THydrogen-bonded Turntrans-52.2-27.2-175.3-27.734.9000114.9
181D58.2Low68.4Low123 Ų12372.4 Ų72.466%0.65841%0.41SS*.THydrogen-bonded Turntrans-100.919.7-174.5-50.6-42.4000113.5T179T179-D181 PolarHBondContact O-N 2.9Å
182T65.7Low68.2Low8 Ų869.4 Ų69.45%0.04940%0.397CS..EExtended strand (participates in β ladder)trans-126127.6-169.7-52.40000111.7M178 T179 N195 G196 N197M178-T182 WeakPolarHBondContact CE-O 3.29Å; T179-T182 WeakPolarHBondContact O-CB 3.32Å; T179-T182 PolarHBondContact O-N 2.77Å; T179-T182 VanDerWaalsContact O-N 3.08Å; T179-T182 PolarHBondContact OG1-OG1 3.21Å; T182-N195 HydrophobicContact CG2-CB 3.42Å; T182-N195 VanDerWaalsContact CG2-CB 3.42Å; T182-G196 CarbonylContact C-O 3.44Å; T182-G196 VanDerWaalsContact CA-O 3.31Å; T182-G196 WeakPolarHBondContact CA-O 3.17Å; T182-N197 PolarHBondContact OG1-OD1 3.09Å
183S73.3Confident68.2Low54 Ų5469.4 Ų69.438%0.37838%0.384SS..EExtended strand (participates in β ladder)trans-104.2148.1175.361.30000112N195 G196S183-N195 CarbonylContact O-C 3.52Å; S183-N195 WeakPolarHBondContact O-CA 3.47Å; S183-G196 PolarHBondContact N-O 3.02Å; S183-G196 PolarHBondContact O-N 3.41Å
184C73.7Confident68.1Low21 Ų2167.2 Ų67.214%0.14237%0.369CS..EExtended strand (participates in β ladder)trans-100.9126.8179.8-84.90000111.8F171 C174 W193 I194F171-C184 HydrophobicContact CD2-CB 4.17Å; F171-C184 HydrophobicContact CE2-CB 3.79Å; C174-C184 VanDerWaalsContact CA-SG 3.58Å; C174-C184 HydrophobicContact CB-CB 3.84Å; C174-C184 WeakPolarHBondContact CB-SG 3.44Å; C174-C184 PolarHBondContact O-SG 3.13Å; C174-C184 VanDerWaalsContact O-SG 3.36Å; C174-C184 WeakPolarHBondContact SG-CB 3.39Å; C174-C184 CovalentContact SG-SG 2.02Å; C174-C184 PolarHBondContact SG-SG 3.09Å; C184-W193 HydrophobicContact CB-CE3 4.46Å; C184-I194 WeakPolarHBondContact CA-O 3.39Å
185F81.5Confident67.9Low53 Ų5370 Ų7023%0.23239%0.385CS..EExtended strand (participates in β ladder)trans-133.1148.6179.360.8-91.7000112.7W193 I194 G196 I211F185-W193 CarbonylContact O-C 3.57Å; F185-W193 WeakPolarHBondContact O-CA 3.22Å; F185-I194 VanDerWaalsContact CD1-O 3.32Å; F185-I194 WeakPolarHBondContact CD1-O 3.11Å; F185-I194 HydrophobicContact CD2-CB 4.19Å; F185-I194 HydrophobicContact CE1-CB 4.17Å; F185-I194 HydrophobicContact CE1-CG2 4.15Å; F185-I194 HydrophobicContact CE2-CB 3.67Å; F185-I194 HydrophobicContact CE2-CD1 4.14Å; F185-I194 HydrophobicContact CE2-CG1 4.27Å; F185-I194 HydrophobicContact CE2-CG2 4.08Å; F185-I194 HydrophobicContact CZ-CB 3.66Å; F185-I194 HydrophobicContact CZ-CG2 3.6Å; F185-I194 PolarHBondContact N-O 3.17Å; F185-I194 PolarHBondContact O-N 3.49Å; F185-G196 VanDerWaalsContact CE1-CA 3.46Å; F185-I211 HydrophobicContact CE1-CD1 3.9Å; F185-I211 HydrophobicContact CE1-CG1 4.24Å; F185-I211 HydrophobicContact CE2-CG1 4.36Å; F185-I211 HydrophobicContact CZ-CD1 3.79Å; F185-I211 HydrophobicContact CZ-CG1 3.89Å
186W78.4Confident67.2Low104 Ų10465.3 Ų65.339%0.39436%0.363SS..EExtended strand (participates in β ladder)trans-79.5128.7175.9-179.7-105.7000110.9D188 K191 M192 W193W186-D188 PolarHBondContact NE1-OD1 2.95Å; W186-K191 WeakPolarHBondContact CH2-O 3.45Å; W186-K191 HydrophobicContact CZ2-CB 4.41Å; W186-K191 HydrophobicContact CZ2-CD 4.17Å; W186-M192 VanDerWaalsContact CZ3-CA 3.45Å; W186-W193 HydrophobicContact CB-CD2 4.37Å; W186-W193 HydrophobicContact CB-CE3 4.24Å; W186-W193 HydrophobicContact CB-CH2 4.25Å; W186-W193 HydrophobicContact CB-CZ2 4.37Å; W186-W193 HydrophobicContact CB-CZ3 4.17Å; W186-W193 AromaticContact CE3-CD1 3.53Å; W186-W193 HydrophobicContact CE3-CD2 4.04Å; W186-W193 AromaticContact CE3-CE2 3.77Å; W186-W193 AromaticContact CE3-CG 3.9Å; W186-W193 HydrophobicContact CE3-CG 3.9Å; W186-W193 HydrophobicContact CE3-CZ2 4.49Å; W186-W193 AromaticContact CE3-NE1 3.42Å; W186-W193 AromaticContact CZ3-CD1 3.67Å; W186-W193 HydrophobicContact CZ3-CG 4.4Å; W186-W193 AromaticContact CZ3-NE1 3.7Å
187C71.8Confident66.6Low1 Ų166.2 Ų66.21%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-107.5102.9175.7173.30000110.4K189 A190 K191 M192 I194 C209C187-K189 VanDerWaalsContact C-N 3.29Å; C187-K189 PolarHBondContact O-N 3.5Å; C187-A190 HydrophobicContact CB-CB 4.06Å; C187-A190 CarbonylContact O-C 3.6Å; C187-A190 PolarHBondContact O-N 2.93Å; C187-A190 VanDerWaalsContact O-N 3.1Å; C187-A190 WeakPolarHBondContact SG-CB 3.19Å; C187-A190 PolarHBondContact SG-N 2.81Å; C187-K191 WeakPolarHBondContact O-CA 3.48Å; C187-K191 PolarHBondContact O-N 3.36Å; C187-M192 PolarHBondContact N-O 2.76Å; C187-M192 PolarHBondContact O-N 3.43Å; C187-I194 HydrophobicContact CB-CD1 3.22Å; C187-I194 HydrophobicContact CB-CG1 3.69Å; C187-I194 VanDerWaalsContact SG-CD1 3.52Å; C187-C209 WeakPolarHBondContact CA-SG 3.5Å; C187-C209 HydrophobicContact CB-CB 3.93Å; C187-C209 WeakPolarHBondContact CB-SG 3.21Å; C187-C209 WeakPolarHBondContact SG-CB 3.45Å; C187-C209 CovalentContact SG-SG 2Å; C187-C209 PolarHBondContact SG-SG 3.05Å
188D67.4Low65.6Low97 Ų9768.6 Ų68.652%0.51936%0.356SS..THydrogen-bonded Turntrans-63.4-32.3-175.1-101.4-40.3000114.3W186 K191W186-D188 PolarHBondContact NE1-OD1 2.95Å; D188-K191 WeakPolarHBondContact O-CD 3.25Å; D188-K191 WeakPolarHBondContact O-CE 3.35Å; D188-K191 WeakPolarHBondContact O-CG 3.44Å; D188-K191 IonicContact OD1-NZ 2.85Å; D188-K191 PolarHBondContact OD1-NZ 3.35Å
189K65Low64.8Low151 Ų15171 Ų7166%0.65737%0.37SS*.THydrogen-bonded Turntrans-71.7-34.2175.8-72.1-170.8-168.7157.10112.5C187 G208C187-K189 VanDerWaalsContact C-N 3.29Å; C187-K189 PolarHBondContact O-N 3.5Å; K189-G208 VanDerWaalsContact CD-O 3.3Å; K189-G208 WeakPolarHBondContact CD-O 3.38Å; K189-G208 WeakPolarHBondContact CE-O 3.42Å; K189-G208 PolarHBondContact NZ-O 3.49Å
190A61.4Low63.9Low20 Ų2073 Ų7317%0.16538%0.377CS..THydrogen-bonded Turntrans-90.8-10.1178.800000112.4C187 M192 N207C187-A190 HydrophobicContact CB-CB 4.06Å; C187-A190 CarbonylContact O-C 3.6Å; C187-A190 PolarHBondContact O-N 2.93Å; C187-A190 VanDerWaalsContact O-N 3.1Å; C187-A190 WeakPolarHBondContact SG-CB 3.19Å; C187-A190 PolarHBondContact SG-N 2.81Å; A190-M192 VanDerWaalsContact C-N 3.27Å; A190-M192 HydrophobicContact CB-CE 3.89Å; A190-M192 HydrophobicContact CB-CG 3.75Å; A190-M192 HydrophobicContact CB-SD 4.14Å; A190-M192 WeakPolarHBondContact O-CE 3.36Å; A190-M192 PolarHBondContact O-N 3.36Å; A190-N207 HydrophobicContact CB-CB 4.31Å
191K65.8Low62.6Low139 Ų13972.4 Ų72.460%0.60437%0.372SS*.THydrogen-bonded Turntrans47.848.5-174.7-64.3-65.2177.3-167.20112.2W186 C187 D188W186-K191 WeakPolarHBondContact CH2-O 3.45Å; W186-K191 HydrophobicContact CZ2-CB 4.41Å; W186-K191 HydrophobicContact CZ2-CD 4.17Å; C187-K191 WeakPolarHBondContact O-CA 3.48Å; C187-K191 PolarHBondContact O-N 3.36Å; D188-K191 WeakPolarHBondContact O-CD 3.25Å; D188-K191 WeakPolarHBondContact O-CE 3.35Å; D188-K191 WeakPolarHBondContact O-CG 3.44Å; D188-K191 IonicContact OD1-NZ 2.85Å; D188-K191 PolarHBondContact OD1-NZ 3.35Å
192M66.2Low61.4Low25 Ų2571.5 Ų71.512%0.12338%0.375CS..EExtended strand (participates in β ladder)trans-157.4164.6-178.567-17774.500111.5W186 C187 A190 I194W186-M192 VanDerWaalsContact CZ3-CA 3.45Å; C187-M192 PolarHBondContact N-O 2.76Å; C187-M192 PolarHBondContact O-N 3.43Å; A190-M192 VanDerWaalsContact C-N 3.27Å; A190-M192 HydrophobicContact CB-CE 3.89Å; A190-M192 HydrophobicContact CB-CG 3.75Å; A190-M192 HydrophobicContact CB-SD 4.14Å; A190-M192 WeakPolarHBondContact O-CE 3.36Å; A190-M192 PolarHBondContact O-N 3.36Å; M192-I194 HydrophobicContact CG-CG1 4.24Å
193W70.7Confident60.2Low65 Ų6579.6 Ų79.625%0.24641%0.412CS..EExtended strand (participates in β ladder)trans-79.1147.7167.2-66.689.2000111P168 S170 F171 C174 C184 F185 W186P168-W193 HydrophobicContact CB-CB 4.24Å; P168-W193 HydrophobicContact CG-CB 4.13Å; P168-W193 PolarHBondContact O-N 3.14Å; S170-W193 VanDerWaalsContact C-CD1 3.44Å; F171-W193 HydrophobicContact CB-CD2 4.25Å; F171-W193 HydrophobicContact CB-CH2 4.23Å; F171-W193 HydrophobicContact CB-CZ2 3.84Å; F171-W193 HydrophobicContact CD2-CD2 4.14Å; F171-W193 AromaticContact CD2-CE3 3.68Å; F171-W193 HydrophobicContact CD2-CE3 3.68Å; F171-W193 AromaticContact CD2-CH2 3.63Å; F171-W193 HydrophobicContact CD2-CH2 3.63Å; F171-W193 HydrophobicContact CD2-CZ2 4.11Å; F171-W193 AromaticContact CD2-CZ3 3.41Å; F171-W193 HydrophobicContact CD2-CZ3 3.41Å; F171-W193 VanDerWaalsContact CD2-CZ3 3.41Å; F171-W193 HydrophobicContact CE2-CE3 4.44Å; F171-W193 HydrophobicContact CE2-CH2 4.43Å; F171-W193 HydrophobicContact CE2-CZ3 4.01Å; F171-W193 HydrophobicContact CG-CH2 4.3Å; F171-W193 HydrophobicContact CG-CZ2 4.41Å; F171-W193 HydrophobicContact CG-CZ3 4.43Å; C174-W193 HydrophobicContact CB-CB 3.77Å; C174-W193 HydrophobicContact CB-CG 4.43Å; C184-W193 HydrophobicContact CB-CE3 4.46Å; F185-W193 CarbonylContact O-C 3.57Å; F185-W193 WeakPolarHBondContact O-CA 3.22Å; W186-W193 HydrophobicContact CB-CD2 4.37Å; W186-W193 HydrophobicContact CB-CE3 4.24Å; W186-W193 HydrophobicContact CB-CH2 4.25Å; W186-W193 HydrophobicContact CB-CZ2 4.37Å; W186-W193 HydrophobicContact CB-CZ3 4.17Å; W186-W193 AromaticContact CE3-CD1 3.53Å; W186-W193 HydrophobicContact CE3-CD2 4.04Å; W186-W193 AromaticContact CE3-CE2 3.77Å; W186-W193 AromaticContact CE3-CG 3.9Å; W186-W193 HydrophobicContact CE3-CG 3.9Å; W186-W193 HydrophobicContact CE3-CZ2 4.49Å; W186-W193 AromaticContact CE3-NE1 3.42Å; W186-W193 AromaticContact CZ3-CD1 3.67Å; W186-W193 HydrophobicContact CZ3-CG 4.4Å; W186-W193 AromaticContact CZ3-NE1 3.7Å
194I69.1Low58.8Low21 Ų2181.3 Ų81.311%0.10842%0.417CS..EExtended strand (participates in β ladder)trans-134.9140.5-179.4-52.5-172.7000108.9C184 F185 C187 M192 Y206C184-I194 WeakPolarHBondContact CA-O 3.39Å; F185-I194 VanDerWaalsContact CD1-O 3.32Å; F185-I194 WeakPolarHBondContact CD1-O 3.11Å; F185-I194 HydrophobicContact CD2-CB 4.19Å; F185-I194 HydrophobicContact CE1-CB 4.17Å; F185-I194 HydrophobicContact CE1-CG2 4.15Å; F185-I194 HydrophobicContact CE2-CB 3.67Å; F185-I194 HydrophobicContact CE2-CD1 4.14Å; F185-I194 HydrophobicContact CE2-CG1 4.27Å; F185-I194 HydrophobicContact CE2-CG2 4.08Å; F185-I194 HydrophobicContact CZ-CB 3.66Å; F185-I194 HydrophobicContact CZ-CG2 3.6Å; F185-I194 PolarHBondContact N-O 3.17Å; F185-I194 PolarHBondContact O-N 3.49Å; C187-I194 HydrophobicContact CB-CD1 3.22Å; C187-I194 HydrophobicContact CB-CG1 3.69Å; C187-I194 VanDerWaalsContact SG-CD1 3.52Å; M192-I194 HydrophobicContact CG-CG1 4.24Å; I194-Y206 HydrophobicContact CD1-CD1 4Å; I194-Y206 HydrophobicContact CD1-CE1 4.43Å
195N67.2Low57.5Low60 Ų6087 Ų8732%0.32144%0.439SS..EExtended strand (participates in β ladder)trans-80.2120.2170.8-75.235000109.5C174 A177 T182 S183C174-N195 PolarHBondContact SG-OD1 3.38Å; A177-N195 PolarHBondContact O-ND2 2.89Å; T182-N195 HydrophobicContact CG2-CB 3.42Å; T182-N195 VanDerWaalsContact CG2-CB 3.42Å; S183-N195 CarbonylContact O-C 3.52Å; S183-N195 WeakPolarHBondContact O-CA 3.47Å
196G60Low55.9Low3 Ų391.4 Ų91.43%0.03146%0.455CS..EExtended strand (participates in β ladder)trans-101.2121.9173.200000110.7T182 S183 F185T182-G196 CarbonylContact C-O 3.44Å; T182-G196 VanDerWaalsContact CA-O 3.31Å; T182-G196 WeakPolarHBondContact CA-O 3.17Å; S183-G196 PolarHBondContact N-O 3.02Å; S183-G196 PolarHBondContact O-N 3.41Å; F185-G196 VanDerWaalsContact CE1-CA 3.46Å
197N54.6Low54.3Low95 Ų9591.2 Ų91.251%0.50846%0.462SS..EExtended strand (participates in β ladder)trans-87.5129.5165.3-83.310.4000109.2T182 D199T182-N197 PolarHBondContact OG1-OD1 3.09Å; N197-D199 VanDerWaalsContact C-N 3.28Å; N197-D199 PolarHBondContact O-N 3.36Å
198D42.3Very low53.1Low105 Ų10592 Ų9256%0.56147%0.47SS*.THydrogen-bonded Turntrans-70.280.9163.2-82-30.3000108.9Y213D198-Y213 WeakPolarHBondContact OD1-CE1 3.34Å; D198-Y213 VanDerWaalsContact OD1-CZ 3.31Å; D198-Y213 PolarHBondContact OD1-OH 3.35Å
199D48.6Very low52.4Low134 Ų13488.3 Ų88.372%0.71745%0.452SS*.THydrogen-bonded Turntrans-172.8-0.5151-145.33.5000115.2N197 T201N197-D199 VanDerWaalsContact C-N 3.28Å; N197-D199 PolarHBondContact O-N 3.36Å; D199-T201 PolarHBondContact O-N 3.41Å; D199-T201 PolarHBondContact O-OG1 2.96Å
200D41.5Very low51.7Low121 Ų12187.2 Ų87.265%0.64745%0.452SS*.  trans-82.470.9179.3-87.1-23.4000111.2S202 L204D200-S202 PolarHBondContact O-N 3.36Å; D200-L204 HydrophobicContact CB-CD1 3.87Å; D200-L204 VanDerWaalsContact OD2-CD1 3.32Å; D200-L204 WeakPolarHBondContact OD2-CD1 3.41Å
201T32.8Very low51.1Low120 Ų12090.4 Ų90.474%0.73647%0.466SS*.  trans-37.9117.316424.20000111.4D199D199-T201 PolarHBondContact O-N 3.41Å; D199-T201 PolarHBondContact O-OG1 2.96Å
202S33Very low49.7Very low105 Ų10591.9 Ų91.973%0.73448%0.475SS*.SBendtrans61.5110.3165.656.10000118.1D200D200-S202 PolarHBondContact O-N 3.36Å
203E39.7Very low48.2Very low178 Ų17897.2 Ų97.283%0.83249%0.494SS*.  trans82.316.6156.3-57-161.4148.400121.8K205E203-K205 PolarHBondContact O-N 3.46Å
204L44.2Very low46.2Very low89 Ų8999 Ų9947%0.46652%0.517SS..  trans-79.293.4174.3-77.7173000113.7D200 Y206D200-L204 HydrophobicContact CB-CD1 3.87Å; D200-L204 VanDerWaalsContact OD2-CD1 3.32Å; D200-L204 WeakPolarHBondContact OD2-CD1 3.41Å; L204-Y206 PolarHBondContact O-N 3.35Å
205K47.2Very low44.2Very low140 Ų140105 Ų10561%0.60955%0.548SS*.  trans-6892.7163.3-90179.5174.8171.80110.6E203E203-K205 PolarHBondContact O-N 3.46Å
206Y46.5Very low42.4Very low147 Ų147109.4 Ų109.458%0.57657%0.572SS**BIsolated β-bridgetrans-84.2112.7157.2-166-98.7000108.9I194 L204 G208 C209I194-Y206 HydrophobicContact CD1-CD1 4Å; I194-Y206 HydrophobicContact CD1-CE1 4.43Å; L204-Y206 PolarHBondContact O-N 3.35Å; Y206-G208 PolarHBondContact O-N 3.26Å; Y206-C209 PolarHBondContact O-N 3.17Å; Y206-C209 VanDerWaalsContact O-N 3.09Å
207N46.1Very low41Very low100 Ų100115.1 Ų115.154%0.53561%0.606SS.*THydrogen-bonded Turntrans50.725.3178.2-68.9-22.6000116.4A190A190-N207 HydrophobicContact CB-CB 4.31Å
208G45.9Very low40Very low16 Ų16117.7 Ų117.717%0.16562%0.62CS.*THydrogen-bonded Turntrans80.810.1177.400000115.4K189 Y206K189-G208 VanDerWaalsContact CD-O 3.3Å; K189-G208 WeakPolarHBondContact CD-O 3.38Å; K189-G208 WeakPolarHBondContact CE-O 3.42Å; K189-G208 PolarHBondContact NZ-O 3.49Å; Y206-G208 PolarHBondContact O-N 3.26Å
209C52.4Low39.6Very low21 Ų21120.5 Ų120.514%0.14264%0.635CS.*BIsolated β-bridgetrans-83.2128.8167.6-76.30000109.9C187 Y206C187-C209 WeakPolarHBondContact CA-SG 3.5Å; C187-C209 HydrophobicContact CB-CB 3.93Å; C187-C209 WeakPolarHBondContact CB-SG 3.21Å; C187-C209 WeakPolarHBondContact SG-CB 3.45Å; C187-C209 CovalentContact SG-SG 2Å; C187-C209 PolarHBondContact SG-SG 3.05Å; Y206-C209 PolarHBondContact O-N 3.17Å; Y206-C209 VanDerWaalsContact O-N 3.09Å
210L51.4Low38.7Very low128 Ų128119.2 Ų119.267%0.6764%0.636SS**  trans-96123.6174.8-80.1160.9000106.7E212L210-E212 PolarHBondContact O-N 3.11Å
211I49.1Very low38.2Very low87 Ų87118.7 Ų118.745%0.44664%0.642SS.*  trans-85.895.7162.6-55.3173.7000104.5F185 Y213F185-I211 HydrophobicContact CE1-CD1 3.9Å; F185-I211 HydrophobicContact CE1-CG1 4.24Å; F185-I211 HydrophobicContact CE2-CG1 4.36Å; F185-I211 HydrophobicContact CZ-CD1 3.79Å; F185-I211 HydrophobicContact CZ-CG1 3.89Å; I211-Y213 HydrophobicContact CB-CE2 4.46Å; I211-Y213 HydrophobicContact CG2-CD2 3.85Å; I211-Y213 HydrophobicContact CG2-CE2 3.4Å; I211-Y213 PolarHBondContact O-N 2.57Å
212E35Very low38.1Very low170 Ų170121 Ų12179%0.79465%0.645SS**  trans-83.5105.1168.5-85.4-175.917400107.9L210 S214L210-E212 PolarHBondContact O-N 3.11Å; E212-S214 PolarHBondContact O-N 3.16Å
213Y35.9Very low37.9Very low136 Ų136125 Ų12553%0.53366%0.657SS.*  trans-76110.4157.6-68.2-88.5000106.7D198 I211 L215D198-Y213 WeakPolarHBondContact OD1-CE1 3.34Å; D198-Y213 VanDerWaalsContact OD1-CZ 3.31Å; D198-Y213 PolarHBondContact OD1-OH 3.35Å; I211-Y213 HydrophobicContact CB-CE2 4.46Å; I211-Y213 HydrophobicContact CG2-CD2 3.85Å; I211-Y213 HydrophobicContact CG2-CE2 3.4Å; I211-Y213 PolarHBondContact O-N 2.57Å; Y213-L215 VanDerWaalsContact C-N 3.26Å; Y213-L215 PolarHBondContact O-N 2.83Å
214S28.4Very low37.4Very low103 Ų103122.2 Ų122.272%0.7265%0.652SS**  trans-71.390165.257.60000107.8E212 N216E212-S214 PolarHBondContact O-N 3.16Å; S214-N216 VanDerWaalsContact C-N 3.3Å; S214-N216 PolarHBondContact O-N 2.81Å
215L26.7Very low36.9Very low147 Ų147125.4 Ų125.477%0.7767%0.669SS**  trans-70.293.6163-74.1168000107.2Y213 V217Y213-L215 VanDerWaalsContact C-N 3.26Å; Y213-L215 PolarHBondContact O-N 2.83Å; L215-V217 HydrophobicContact CB-CG2 4.44Å; L215-V217 PolarHBondContact O-N 2.69Å
216N29.1Very low36.2Very low152 Ų152124.7 Ų124.781%0.81368%0.676SS**  trans-71.291.5158.4-77.5-11.3000106.5S214 D218S214-N216 VanDerWaalsContact C-N 3.3Å; S214-N216 PolarHBondContact O-N 2.81Å; N216-D218 PolarHBondContact O-N 2.68Å
217V29.9Very low35.6Very low124 Ų124126.5 Ų126.575%0.75269%0.687SS**  trans-71.886.2160.7179.60000105.5L215L215-V217 HydrophobicContact CB-CG2 4.44Å; L215-V217 PolarHBondContact O-N 2.69Å
218D33.5Very low35.1Very low149 Ų149129.5 Ų129.580%0.79770%0.698SS**  trans-169.4122.7142.8-92.3-27.1000108.4N216N216-D218 PolarHBondContact O-N 2.68Å
219D34.2Very low34.9Very low163 Ų163138 Ų13887%0.87273%0.73SS**  trans87.3130.1164.4-131.4-6.5000119.8S221D219-S221 PolarHBondContact O-N 3.45Å
220S31Very low34.7Very low108 Ų108145.2 Ų145.276%0.75576%0.762SS**  trans-75.3102.8-177153.10000109.7
221S30.3Very low34.3Very low110 Ų110144.5 Ų144.577%0.76976%0.763SS**SBendtrans167.2134.3140.742.40000111.4D219D219-S221 PolarHBondContact O-N 3.45Å
222E31Very low33.9Very low169 Ų169146.4 Ų146.479%0.7977%0.774SS**  trans61.294.6152-150.3164.4-167.600118.4T224E222-T224 PolarHBondContact O-N 2.84Å; E222-T224 PolarHBondContact O-OG1 2.94Å
223L29.2Very low34.6Very low189 Ų189144.3 Ų144.399%0.9977%0.767SS**  trans-64.199.2171.9-121.5124.8000110.5
224T28.2Very low35.2Very low119 Ų119145.1 Ų145.173%0.7378%0.776SS**  trans-109.9118171.819.10000111.4E222 T226E222-T224 PolarHBondContact O-N 2.84Å; E222-T224 PolarHBondContact O-OG1 2.94Å; T224-T226 PolarHBondContact O-N 3.34Å
225L34.7Very low36.2Very low156 Ų156147.3 Ų147.382%0.81777%0.773SS**  trans-68.9115.5175.6-173.281.7000110.6K227L225-K227 PolarHBondContact O-N 3.43Å
226T32.6Very low37.1Very low124 Ų124147.6 Ų147.676%0.76177%0.768SS**  trans-76.195.5175.8-17.60000110.5T224 Q228T224-T226 PolarHBondContact O-N 3.34Å; T226-Q228 PolarHBondContact O-N 3.09Å; T226-Q228 VanDerWaalsContact O-N 3.12Å
227K34Very low37.8Very low186 Ų186146.4 Ų146.481%0.80976%0.761SS**  trans-68.392.3166.9-74.6-175.1175-1770110.2L225L225-K227 PolarHBondContact O-N 3.43Å
228Q35.6Very low38.4Very low162 Ų162150 Ų15076%0.75776%0.761SS**  trans-153.715.5173.7-131.3168.3-14.700118.8T226T226-Q228 PolarHBondContact O-N 3.09Å; T226-Q228 VanDerWaalsContact O-N 3.12Å
229K40.3Very low39Very low195 Ų195149.9 Ų149.985%0.84875%0.753SS**SBendtrans-115.91.8178.9-84-176.7176.1174.80116.4
230E48.1Very low39.4Very low172 Ų172146.2 Ų146.280%0.80474%0.737SS**Hα-helixtrans-85.2-28.7-169.6-134.6168.717800114
231T43Very low39.8Very low113 Ų113146.6 Ų146.669%0.69374%0.735SS**Hα-helixtrans-83.8-17.7-174.428.50000115.2
232D41.9Very low40.5Very low128 Ų128149 Ų14968%0.68473%0.734SS**Hα-helixtrans-87.7-25.8-178.9-95.8-19.2000113.5K236D232-K236 WeakPolarHBondContact O-CB 3.48Å; D232-K236 PolarHBondContact O-N 2.81Å; D232-K236 VanDerWaalsContact O-N 3.17Å
233L49.1Very low41Very low125 Ų125146.9 Ų146.965%0.65473%0.728SS**Hα-helixtrans-80.8-39.9-175.5-156.274.3000112.4K235 K236 L237L233-K235 VanDerWaalsContact C-N 3.35Å; L233-K236 PolarHBondContact O-N 2.86Å; L233-L237 PolarHBondContact O-N 2.95Å
234E48.8Very low41.5Very low154 Ų154144.2 Ų144.272%0.7272%0.715SS**Hα-helixtrans-66-36.2173.1-80.2-165.9135.200112.3K236 L237 R238E234-K236 VanDerWaalsContact C-N 3.33Å; E234-K236 PolarHBondContact O-N 2.04Å; E234-L237 PolarHBondContact O-N 3.32Å; E234-R238 PolarHBondContact O-N 2.7Å; E234-R238 VanDerWaalsContact O-N 3.09Å
235K48.5Very low41.8Very low148 Ų148147.3 Ų147.364%0.64372%0.721SS**Hα-helixtrans-66.5-33.8173.8-108.5178.1178.7174.90112.5L233 K239L233-K235 VanDerWaalsContact C-N 3.35Å; K235-K239 PolarHBondContact O-N 3.48Å
236K47Very low41.6Very low153 Ų153144.4 Ų144.467%0.66571%0.713SS**Hα-helixtrans-72.7-36.6176.9-133.6172.1-177.5176.50112.1D232 L233 E234 T240D232-K236 WeakPolarHBondContact O-CB 3.48Å; D232-K236 PolarHBondContact O-N 2.81Å; D232-K236 VanDerWaalsContact O-N 3.17Å; L233-K236 PolarHBondContact O-N 2.86Å; E234-K236 VanDerWaalsContact C-N 3.33Å; E234-K236 PolarHBondContact O-N 2.04Å; K236-T240 PolarHBondContact O-N 3.14Å; K236-T240 PolarHBondContact O-OG1 3.05Å
237L43.2Very low41.7Very low128 Ų128147 Ų14767%0.6772%0.717SS**Hα-helixtrans-70.5-44178.2-128.780.6000112.1L233 E234 K239 T240 T241L233-L237 PolarHBondContact O-N 2.95Å; E234-L237 PolarHBondContact O-N 3.32Å; L237-K239 PolarHBondContact O-N 3.46Å; L237-T240 PolarHBondContact O-N 3.31Å; L237-T241 PolarHBondContact O-N 3.4Å; L237-T241 PolarHBondContact O-OG1 3.36Å
238R42.8Very low41.4Very low199 Ų199142.8 Ų142.875%0.75171%0.71SS**Hα-helixtrans-63.7-40.2176.5-86.8-173176.6-157.10.7113.3E234 T240 T241E234-R238 PolarHBondContact O-N 2.7Å; E234-R238 VanDerWaalsContact O-N 3.09Å; R238-T240 PolarHBondContact O-N 3.02Å; R238-T241 PolarHBondContact O-N 2.92Å
239K46.4Very low41.1Very low147 Ų147141.6 Ų141.664%0.63971%0.709SS**Hα-helixtrans-67.4-20.5177.5-80.4-175.7174.9-175.10114.4K235 L237K235-K239 PolarHBondContact O-N 3.48Å; L237-K239 PolarHBondContact O-N 3.46Å
240T41.1Very low40.9Very low86 Ų86141.1 Ų141.153%0.52871%0.71SS.*Hα-helixtrans-89.7-17.6-179-51.60000111.9K236 L237 R238 N244K236-T240 PolarHBondContact O-N 3.14Å; K236-T240 PolarHBondContact O-OG1 3.05Å; L237-T240 PolarHBondContact O-N 3.31Å; R238-T240 PolarHBondContact O-N 3.02Å; T240-N244 PolarHBondContact O-ND2 3.23Å
241T39.9Very low40.1Very low116 Ų116139.1 Ų139.171%0.71271%0.71SS**Hα-helixtrans-90.1-26.4178.9-500000113.1L237 R238L237-T241 PolarHBondContact O-N 3.4Å; L237-T241 PolarHBondContact O-OG1 3.36Å; R238-T241 PolarHBondContact O-N 2.92Å
242E45.5Very low39.7Very low160 Ų160137.8 Ų137.875%0.74871%0.711SS**Hα-helixtrans-87.9-17.3179.2-75.3175.216600114.5
243N41.6Very low39.3Very low125 Ų125141.2 Ų141.267%0.66872%0.722SS**SBendtrans-96.35.1-173-76.72.3000115.3
244N39.8Very low38.7Very low133 Ų133141.5 Ų141.571%0.71173%0.73SS**SBendtrans-10310.2-173.6-71.9-16.3000114.8T240T240-N244 PolarHBondContact O-ND2 3.23Å
245E34.2Very low37.9Very low184 Ų184144.3 Ų144.386%0.8674%0.739SS**SBendtrans-113.171.8170.2-73.9-173161.300110.9
246S30.6Very low37.2Very low94 Ų94141 Ų14166%0.65775%0.748SS**SBendtrans168.3150.6146.254.80000110.4
247H34.2Very low36.9Very low180 Ų180142.5 Ų142.583%0.83375%0.754SS**  trans84.879.9169.7-62.8-77.6000118.7
248S28Very low37Very low96 Ų96140.2 Ų140.267%0.67175%0.747SS**  trans-27.2140.8137.9-162.90000117.4
249N29.5Very low37.5Very low137 Ų137141.7 Ų141.773%0.73375%0.752SS**  trans90.6127.3149-62.7-23.5000122.2
250Q34.9Very low38Very low185 Ų185141 Ų14186%0.86476%0.756SS**  trans70.4135.3152.9-74-178.514.400115.8
251T32.5Very low38.9Very low130 Ų130142 Ų14280%0.79876%0.757SS**  cis-156.6159.320.9-48.40000108.8
252A33.5Very low40.1Very low86 Ų86141.2 Ų141.271%0.71175%0.748SS**  trans-58.3136.8-177.900000115.7
253E34.9Very low41.6Very low199 Ų199142.8 Ų142.893%0.9375%0.749SS**  trans-134.7130.4146.2-82.1-158.7150.600110.8
254T35.2Very low43.2Very low132 Ų132142.1 Ų142.181%0.8174%0.744SS**  trans-88.3123.6-170.9-45.60000109.8
255K33.2Very low45.2Very low213 Ų213140.4 Ų140.493%0.92673%0.734SS**  trans-173.7120.1150.7-106.5157.2-173.9178.30113.1
256G33.8Very low47.5Very low79 Ų79135.7 Ų135.781%0.81471%0.713SS**  trans106.262.6155.900000117.9
257K40.5Very low50.1Low183 Ų183134.5 Ų134.580%0.79670%0.703SS**  trans-72131.8173-153.2175.6-165.1177.10110.8R259K257-R259 PolarHBondContact O-N 3.2Å
258P45.5Very low52.7Low81 Ų81130.5 Ų130.553%0.52669%0.687SS.*  trans-76.3116.5-17730.1-32000110.4N260 L261P258-N260 PolarHBondContact O-N 3.21Å; P258-L261 HydrophobicContact CG-CD1 4.06Å; P258-L261 PolarHBondContact O-N 2.85Å
259R52.3Low55.5Low229 Ų229128.4 Ų128.486%0.86468%0.676SS**Hα-helixtrans-53.7-18.5177.3-86.9178.2162.7170.9-5.3114.4K257K257-R259 PolarHBondContact O-N 3.2Å
260N58.2Low58.4Low133 Ų133126.6 Ų126.671%0.71167%0.665SS**Hα-helixtrans-76.8-26.4-176.5-77.3-4.7000115.1P258P258-N260 PolarHBondContact O-N 3.21Å
261L58.2Low61Low107 Ų107121 Ų12156%0.5665%0.646SS**Hα-helixtrans-75.5-30.6177.9-101.1139.2000112P258 Y263 I264 I265P258-L261 HydrophobicContact CG-CD1 4.06Å; P258-L261 PolarHBondContact O-N 2.85Å; L261-Y263 VanDerWaalsContact C-N 3.35Å; L261-Y263 PolarHBondContact O-N 3.41Å; L261-I264 PolarHBondContact O-N 3.01Å; L261-I265 HydrophobicContact CB-CD1 4.48Å; L261-I265 HydrophobicContact CD2-CD1 3.96Å; L261-I265 WeakPolarHBondContact O-CD1 3.46Å; L261-I265 VanDerWaalsContact O-CG1 3.25Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.41Å; L261-I265 VanDerWaalsContact O-N 3.17Å
262L67Low63.8Low99 Ų99121.7 Ų121.752%0.51864%0.638SS.*Hα-helixtrans-65.5-38.6-179.3-137.390.6000111.9I264 I265 I266L262-I264 VanDerWaalsContact C-N 3.28Å; L262-I264 PolarHBondContact O-N 3.09Å; L262-I265 PolarHBondContact O-N 3.5Å; L262-I266 HydrophobicContact CD2-CD1 3.83Å; L262-I266 HydrophobicContact CG-CD1 3.93Å; L262-I266 WeakPolarHBondContact O-CB 3.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.42Å; L262-I266 PolarHBondContact O-N 3.22Å; L262-I266 VanDerWaalsContact O-N 3.14Å
263Y75.4Confident66.6Low194 Ų194121.7 Ų121.776%0.76163%0.629SS**Hα-helixtrans-72.4-20.3-177.1-158.3-93.3000113.5L261 P267L261-Y263 VanDerWaalsContact C-N 3.35Å; L261-Y263 PolarHBondContact O-N 3.41Å; Y263-P267 WeakPolarHBondContact O-CD 3.37Å; Y263-P267 WeakPolarHBondContact O-CG 3.29Å
264I75.9Confident69.3Low110 Ų110116.7 Ų116.756%0.56461%0.612SS**Hα-helixtrans-90.4-38.4176.6-60.8173.1000110.6L261 L262 P267 I268L261-I264 PolarHBondContact O-N 3.01Å; L262-I264 VanDerWaalsContact C-N 3.28Å; L262-I264 PolarHBondContact O-N 3.09Å; I264-P267 WeakPolarHBondContact O-CD 3.38Å; I264-I268 HydrophobicContact CG2-CD1 3.93Å; I264-I268 WeakPolarHBondContact O-CD1 3.05Å; I264-I268 VanDerWaalsContact O-CG1 3.29Å; I264-I268 WeakPolarHBondContact O-CG1 3.32Å
265I81Confident72Confident98 Ų98115.8 Ų115.850%0.50360%0.602SS.*Hα-helixtrans-72.3-38.3-177.3-64.9168000111.5L261 L262 I268 A269L261-I265 HydrophobicContact CB-CD1 4.48Å; L261-I265 HydrophobicContact CD2-CD1 3.96Å; L261-I265 WeakPolarHBondContact O-CD1 3.46Å; L261-I265 VanDerWaalsContact O-CG1 3.25Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.41Å; L261-I265 VanDerWaalsContact O-N 3.17Å; L262-I265 PolarHBondContact O-N 3.5Å; I265-I268 PolarHBondContact O-N 3.29Å; I265-A269 WeakPolarHBondContact O-CB 2.96Å; I265-A269 PolarHBondContact O-N 3.32Å
266I82.5Confident74.8Confident84 Ų84108.7 Ų108.743%0.43158%0.579SS.*Hα-helixtrans-62.7-49.8-176.6-68.4166.1000112.5L262 I268 A269 I270L262-I266 HydrophobicContact CD2-CD1 3.83Å; L262-I266 HydrophobicContact CG-CD1 3.93Å; L262-I266 WeakPolarHBondContact O-CB 3.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.42Å; L262-I266 PolarHBondContact O-N 3.22Å; L262-I266 VanDerWaalsContact O-N 3.14Å; I266-I268 VanDerWaalsContact C-N 3.33Å; I266-I268 PolarHBondContact O-N 3.45Å; I266-A269 PolarHBondContact O-N 3.27Å; I266-I270 HydrophobicContact CG2-CD1 3.68Å; I266-I270 HydrophobicContact CG2-CG1 4.45Å; I266-I270 VanDerWaalsContact O-CG1 3.29Å; I266-I270 WeakPolarHBondContact O-CG1 3.39Å; I266-I270 PolarHBondContact O-N 2.79Å
267P86.5Confident77.5Confident69 Ų69109.3 Ų109.345%0.44856%0.563SS.*Hα-helixtrans-63.7-36.6178.4-22.132.8000113.3Y263 I264 I270 S271Y263-P267 WeakPolarHBondContact O-CD 3.37Å; Y263-P267 WeakPolarHBondContact O-CG 3.29Å; I264-P267 WeakPolarHBondContact O-CD 3.38Å; P267-I270 PolarHBondContact O-N 3.41Å; P267-S271 WeakPolarHBondContact O-CB 3.1Å; P267-S271 PolarHBondContact O-N 2.84Å
268I87.7Confident79.9Confident97 Ų97102.6 Ų102.650%0.49755%0.546SS..Hα-helixtrans-65.1-45.8178.4-66171.8000110.2I264 I265 I266 S271 F272I264-I268 HydrophobicContact CG2-CD1 3.93Å; I264-I268 WeakPolarHBondContact O-CD1 3.05Å; I264-I268 VanDerWaalsContact O-CG1 3.29Å; I264-I268 WeakPolarHBondContact O-CG1 3.32Å; I265-I268 PolarHBondContact O-N 3.29Å; I266-I268 VanDerWaalsContact C-N 3.33Å; I266-I268 PolarHBondContact O-N 3.45Å; I268-S271 PolarHBondContact O-N 3.17Å; I268-F272 HydrophobicContact CG2-CD2 4.23Å; I268-F272 PolarHBondContact O-N 3.02Å
269A88.5Confident82.2Confident51 Ų51102.3 Ų102.342%0.42155%0.545SS..Hα-helixtrans-62.8-44177.400000111.9I265 I266 S271 F272 V273I265-A269 WeakPolarHBondContact O-CB 2.96Å; I265-A269 PolarHBondContact O-N 3.32Å; I266-A269 PolarHBondContact O-N 3.27Å; A269-S271 PolarHBondContact O-N 2.82Å; A269-F272 PolarHBondContact O-N 3.16Å; A269-V273 WeakPolarHBondContact O-CG2 3.46Å; A269-V273 PolarHBondContact O-N 2.94Å; A269-V273 VanDerWaalsContact O-N 3.08Å
270I90.3Very high84.1Confident100 Ų10095.8 Ų95.851%0.51353%0.53SS..Hα-helixtrans-62.1-44177.2-66.9168000110.7I266 P267 F272 V273 V274I266-I270 HydrophobicContact CG2-CD1 3.68Å; I266-I270 HydrophobicContact CG2-CG1 4.45Å; I266-I270 VanDerWaalsContact O-CG1 3.29Å; I266-I270 WeakPolarHBondContact O-CG1 3.39Å; I266-I270 PolarHBondContact O-N 2.79Å; P267-I270 PolarHBondContact O-N 3.41Å; I270-F272 VanDerWaalsContact C-N 3.32Å; I270-F272 PolarHBondContact O-N 3.46Å; I270-V273 PolarHBondContact O-N 2.64Å; I270-V274 HydrophobicContact CG2-CG2 4.42Å; I270-V274 WeakPolarHBondContact O-CG2 3.48Å; I270-V274 PolarHBondContact O-N 3.33Å
271S88.5Confident85.6Confident67 Ų6793.8 Ų93.847%0.46952%0.519SS..Hα-helixtrans-62.3-38.8178.8-168.10000112.3P267 I268 A269 L275P267-S271 WeakPolarHBondContact O-CB 3.1Å; P267-S271 PolarHBondContact O-N 2.84Å; I268-S271 PolarHBondContact O-N 3.17Å; A269-S271 PolarHBondContact O-N 2.82Å; S271-L275 WeakPolarHBondContact O-CB 3.31Å; S271-L275 PolarHBondContact O-N 3.48Å; S271-L275 VanDerWaalsContact O-N 3.1Å
272F91.4Very high87.2Confident144 Ų14490.5 Ų90.563%0.63251%0.511SS*.Hα-helixtrans-65.3-41.2175.6-104.2-83.8000112.3I268 A269 I270 L275 S276I268-F272 HydrophobicContact CG2-CD2 4.23Å; I268-F272 PolarHBondContact O-N 3.02Å; A269-F272 PolarHBondContact O-N 3.16Å; I270-F272 VanDerWaalsContact C-N 3.32Å; I270-F272 PolarHBondContact O-N 3.46Å; F272-L275 PolarHBondContact O-N 2.93Å; F272-S276 WeakPolarHBondContact O-CB 3.41Å; F272-S276 PolarHBondContact O-N 2.97Å; F272-S276 PolarHBondContact O-OG 3.27Å
273V92.2Very high88.3Confident86 Ų8691.2 Ų91.252%0.52151%0.513SS..Hα-helixtrans-65.3-44178.4172.40000111.1A269 I270 S276 I277A269-V273 WeakPolarHBondContact O-CG2 3.46Å; A269-V273 PolarHBondContact O-N 2.94Å; A269-V273 VanDerWaalsContact O-N 3.08Å; I270-V273 PolarHBondContact O-N 2.64Å; V273-S276 PolarHBondContact O-N 2.67Å; V273-I277 HydrophobicContact CG1-CD1 3.71Å; V273-I277 HydrophobicContact CG1-CG1 4.43Å; V273-I277 VanDerWaalsContact O-CG1 3.29Å; V273-I277 WeakPolarHBondContact O-CG1 3.2Å; V273-I277 PolarHBondContact O-N 2.99Å
274V91.9Very high88.9Confident95 Ų9590.2 Ų90.258%0.57651%0.508SS*.Hα-helixtrans-63.6-43.6178.4174.60000111.6I270 S276 I277 G278I270-V274 HydrophobicContact CG2-CG2 4.42Å; I270-V274 WeakPolarHBondContact O-CG2 3.48Å; I270-V274 PolarHBondContact O-N 3.33Å; V274-S276 VanDerWaalsContact C-N 3.34Å; V274-S276 PolarHBondContact O-N 3.5Å; V274-I277 PolarHBondContact O-N 3.1Å; V274-G278 PolarHBondContact O-N 3.42Å
275L91.5Very high89.5Confident112 Ų11289.7 Ų89.759%0.58651%0.505SS*.Hα-helixtrans-60.1-43.8174.5-98.1158.9000112S271 F272 G278 C279S271-L275 WeakPolarHBondContact O-CB 3.31Å; S271-L275 PolarHBondContact O-N 3.48Å; S271-L275 VanDerWaalsContact O-N 3.1Å; F272-L275 PolarHBondContact O-N 2.93Å; L275-G278 PolarHBondContact O-N 2.95Å; L275-C279 PolarHBondContact O-N 3.26Å; L275-C279 PolarHBondContact O-SG 3.45Å
276S91.2Very high89.6Confident65 Ų6592.5 Ų92.546%0.45551%0.511SS..Hα-helixtrans-62.6-45.5179.5-54.10000111.7F272 V273 V274 C279 V280F272-S276 WeakPolarHBondContact O-CB 3.41Å; F272-S276 PolarHBondContact O-N 2.97Å; F272-S276 PolarHBondContact O-OG 3.27Å; V273-S276 PolarHBondContact O-N 2.67Å; V274-S276 VanDerWaalsContact C-N 3.34Å; V274-S276 PolarHBondContact O-N 3.5Å; S276-C279 PolarHBondContact O-N 3.43Å; S276-V280 WeakPolarHBondContact O-CG2 3.29Å; S276-V280 PolarHBondContact O-N 2.93Å
277I92.5Very high89.6Confident91 Ų9197 Ų9747%0.46752%0.522SS..Hα-helixtrans-64-43.7177.2-66166000110.5V273 V274 C279 V280 I281V273-I277 HydrophobicContact CG1-CD1 3.71Å; V273-I277 HydrophobicContact CG1-CG1 4.43Å; V273-I277 VanDerWaalsContact O-CG1 3.29Å; V273-I277 WeakPolarHBondContact O-CG1 3.2Å; V273-I277 PolarHBondContact O-N 2.99Å; V274-I277 PolarHBondContact O-N 3.1Å; I277-C279 PolarHBondContact O-N 3.08Å; I277-V280 PolarHBondContact O-N 3.33Å; I277-I281 HydrophobicContact CG2-CD1 3.6Å; I277-I281 HydrophobicContact CG2-CG1 4.29Å; I277-I281 VanDerWaalsContact O-CG1 3.31Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.23Å
278G91Very high89.3Confident42 Ų4299.4 Ų99.443%0.43353%0.526SS..Hα-helixtrans-59.2-43.7176.400000112.8V274 L275 G282V274-G278 PolarHBondContact O-N 3.42Å; L275-G278 PolarHBondContact O-N 2.95Å; G278-G282 PolarHBondContact O-N 3.19Å
279C92Very high88.7Confident75 Ų75102 Ų10251%0.50754%0.535SS..Hα-helixtrans-63.5-42.5175.6-75.70000112.5L275 S276 I277 G282 M283L275-C279 PolarHBondContact O-N 3.26Å; L275-C279 PolarHBondContact O-SG 3.45Å; S276-C279 PolarHBondContact O-N 3.43Å; I277-C279 PolarHBondContact O-N 3.08Å; C279-G282 PolarHBondContact O-N 3.4Å; C279-M283 WeakPolarHBondContact O-CB 3.3Å; C279-M283 WeakPolarHBondContact O-CG 3.44Å; C279-M283 PolarHBondContact O-N 3.49Å
280V92.1Very high88.1Confident92 Ų92107 Ų10756%0.55855%0.547SS*.Hα-helixtrans-65.8-45.2178.8173.80000111.2S276 I277 M283 W284S276-V280 WeakPolarHBondContact O-CG2 3.29Å; S276-V280 PolarHBondContact O-N 2.93Å; I277-V280 PolarHBondContact O-N 3.33Å; V280-M283 PolarHBondContact O-N 3.49Å; V280-W284 WeakPolarHBondContact O-CB 3.45Å; V280-W284 PolarHBondContact O-N 2.88Å
281I91.5Very high87Confident92 Ų92108.4 Ų108.447%0.47256%0.555SS.*Hα-helixtrans-63.8-44.1177.1-65.2169.8000110.5I277 M283 W284 L285I277-I281 HydrophobicContact CG2-CD1 3.6Å; I277-I281 HydrophobicContact CG2-CG1 4.29Å; I277-I281 VanDerWaalsContact O-CG1 3.31Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.23Å; I281-M283 PolarHBondContact O-N 3.47Å; I281-W284 PolarHBondContact O-N 2.9Å; I281-W284 VanDerWaalsContact O-N 3.17Å; I281-L285 HydrophobicContact CG2-CD1 4.04Å; I281-L285 HydrophobicContact CG2-CG 4.37Å; I281-L285 WeakPolarHBondContact O-CG 3.35Å; I281-L285 PolarHBondContact O-N 3.17Å
282G90.4Very high85.4Confident38 Ų38110.8 Ų110.839%0.39256%0.562SS.*Hα-helixtrans-60-44177.200000112.6G278 C279 W284 L285 Y286G278-G282 PolarHBondContact O-N 3.19Å; C279-G282 PolarHBondContact O-N 3.4Å; G282-W284 VanDerWaalsContact C-N 3.35Å; G282-W284 PolarHBondContact O-N 2.94Å; G282-L285 PolarHBondContact O-N 3.46Å; G282-Y286 VanDerWaalsContact O-CB 3.3Å; G282-Y286 WeakPolarHBondContact O-CB 3.44Å; G282-Y286 PolarHBondContact O-N 2.92Å
283M89.5Confident83.6Confident114 Ų114112.5 Ų112.556%0.56259%0.588SS**Hα-helixtrans-64.8-37.5174.4-74.9-166.1-6500112.6C279 V280 I281 R287C279-M283 WeakPolarHBondContact O-CB 3.3Å; C279-M283 WeakPolarHBondContact O-CG 3.44Å; C279-M283 PolarHBondContact O-N 3.49Å; V280-M283 PolarHBondContact O-N 3.49Å; I281-M283 PolarHBondContact O-N 3.47Å; M283-R287 WeakPolarHBondContact O-CB 3.39Å; M283-R287 WeakPolarHBondContact O-CG 3.29Å; M283-R287 PolarHBondContact O-N 3.19Å
284W88.5Confident83.2Confident173 Ų173113.9 Ų113.966%0.65559%0.591SS**Hα-helixtrans-67.8-43.1178.4-160.979.4000111.8V280 I281 G282 R287 K288V280-W284 WeakPolarHBondContact O-CB 3.45Å; V280-W284 PolarHBondContact O-N 2.88Å; I281-W284 PolarHBondContact O-N 2.9Å; I281-W284 VanDerWaalsContact O-N 3.17Å; G282-W284 VanDerWaalsContact C-N 3.35Å; G282-W284 PolarHBondContact O-N 2.94Å; W284-R287 PolarHBondContact O-N 3.4Å; W284-K288 HydrophobicContact CZ3-CD 4.26Å; W284-K288 WeakPolarHBondContact O-CB 3.34Å; W284-K288 PolarHBondContact O-N 2.94Å
285L88Confident82.8Confident99 Ų99114.8 Ų114.852%0.51859%0.592SS.*Hα-helixtrans-65.4-42.8174.6-70.4175.6000112I281 G282 R287 K288 H289I281-L285 HydrophobicContact CG2-CD1 4.04Å; I281-L285 HydrophobicContact CG2-CG 4.37Å; I281-L285 WeakPolarHBondContact O-CG 3.35Å; I281-L285 PolarHBondContact O-N 3.17Å; G282-L285 PolarHBondContact O-N 3.46Å; L285-R287 VanDerWaalsContact C-N 3.32Å; L285-R287 PolarHBondContact O-N 2.96Å; L285-K288 PolarHBondContact O-N 3.38Å; L285-H289 WeakPolarHBondContact O-CB 3.46Å; L285-H289 PolarHBondContact O-N 3.06Å
286Y84.7Confident82.3Confident157 Ų157115 Ų11562%0.61659%0.593SS**Hα-helixtrans-60.4-42.2176-178.1-98.8000111.8G282 K290G282-Y286 VanDerWaalsContact O-CB 3.3Å; G282-Y286 WeakPolarHBondContact O-CB 3.44Å; G282-Y286 PolarHBondContact O-N 2.92Å; Y286-K290 PolarHBondContact O-N 3.29Å
287R82.6Confident81.8Confident178 Ų178117.9 Ų117.967%0.67260%0.601SS**Hα-helixtrans-65.1-41.6174.1-77.4-177.9175.8-175.2-0.3112.1M283 W284 L285 H289 K290 I291M283-R287 WeakPolarHBondContact O-CB 3.39Å; M283-R287 WeakPolarHBondContact O-CG 3.29Å; M283-R287 PolarHBondContact O-N 3.19Å; W284-R287 PolarHBondContact O-N 3.4Å; L285-R287 VanDerWaalsContact C-N 3.32Å; L285-R287 PolarHBondContact O-N 2.96Å; R287-H289 PolarHBondContact O-N 3.26Å; R287-K290 PolarHBondContact O-N 3.49Å; R287-I291 WeakPolarHBondContact O-CD1 3.45Å; R287-I291 VanDerWaalsContact O-CG1 3.29Å; R287-I291 WeakPolarHBondContact O-CG1 3.46Å; R287-I291 PolarHBondContact O-N 2.98Å
288K80.2Confident81.1Confident119 Ų119119.6 Ų119.652%0.51761%0.609SS.*Hα-helixtrans-63.6-40.5178.7-168.1174.8-179.31790112.2W284 L285 K290 I291 N292W284-K288 HydrophobicContact CZ3-CD 4.26Å; W284-K288 WeakPolarHBondContact O-CB 3.34Å; W284-K288 PolarHBondContact O-N 2.94Å; L285-K288 PolarHBondContact O-N 3.38Å; K288-K290 VanDerWaalsContact C-N 3.25Å; K288-K290 PolarHBondContact O-N 3.29Å; K288-I291 PolarHBondContact O-N 3.36Å; K288-N292 PolarHBondContact O-N 3.24Å
289H75.4Confident80.4Confident151 Ų151124.8 Ų124.870%0.69962%0.621SS**Hα-helixtrans-70.6-19.8178.8-146.7-53.4000113.6L285 R287L285-H289 WeakPolarHBondContact O-CB 3.46Å; L285-H289 PolarHBondContact O-N 3.06Å; R287-H289 PolarHBondContact O-N 3.26Å
290K73.8Confident79.6Confident156 Ų156128.4 Ų128.468%0.67863%0.629SS**Hα-helixtrans-89.9-17.6176.3-150.1178-177.4178.80113.1Y286 R287 K288Y286-K290 PolarHBondContact O-N 3.29Å; R287-K290 PolarHBondContact O-N 3.49Å; K288-K290 VanDerWaalsContact C-N 3.25Å; K288-K290 PolarHBondContact O-N 3.29Å
291I67.5Low78.6Confident130 Ų130131.2 Ų131.267%0.66763%0.634SS**Hα-helixtrans-94.9-25.4-179.6-66166.9000111.5R287 K288R287-I291 WeakPolarHBondContact O-CD1 3.45Å; R287-I291 VanDerWaalsContact O-CG1 3.29Å; R287-I291 WeakPolarHBondContact O-CG1 3.46Å; R287-I291 PolarHBondContact O-N 2.98Å; K288-I291 PolarHBondContact O-N 3.36Å
292N55.9Low77.6Confident118 Ų118134.4 Ų134.463%0.63165%0.648SS**  trans-119.594.5168.1-79.5-15.4000109.5K288K288-N292 PolarHBondContact O-N 3.24Å
293P54.4Low76.4Confident180 Ų180143.2 Ų143.2100%1.16967%0.671SS**  trans-67.90169.829.4-32.7000112.5

Retrieved 293 of 293 residues in 323.4 ms (Link to these results)

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