A0A087XN26_POEFO Loading...

Protein pelota homolog

Component of the Pelota-HBS1L complex, a complex that recognizes stalled ribosomes and triggers the No-Go Decay (NGD) pathway. In the Pelota-HBS1L complex, pelo recognizes ribosomes stalled at the 3' end of an mRNA and engages stalled ribosomes by destabilizing mRNA in the mRNA channel.

AlphaFold DB , UniProt , Accession A0A087XN26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.8Confident84.7Confident3 Ų396.3 Ų96.32%0.01547%0.466CS..  0147.20-165.6172.8-79.100111.3L18 V19 D25 H28 T29 A128 C129M1-L18 HydrophobicContact CG-CB 4.38Å; M1-L18 HydrophobicContact CG-CD2 4.47Å; M1-L18 HydrophobicContact SD-CB 3.94Å; M1-L18 HydrophobicContact SD-CD1 3.84Å; M1-L18 HydrophobicContact SD-CD2 3.93Å; M1-L18 HydrophobicContact SD-CG 4.1Å; M1-V19 WeakPolarHBondContact CG-O 3.3Å; M1-D25 VanDerWaalsContact CA-CG 3.42Å; M1-D25 WeakPolarHBondContact CA-OD1 3.43Å; M1-D25 WeakPolarHBondContact CA-OD2 3.37Å; M1-D25 HydrophobicContact CB-CB 4.25Å; M1-D25 VanDerWaalsContact CB-OD1 3.3Å; M1-D25 WeakPolarHBondContact CB-OD1 3.49Å; M1-D25 HydrophobicContact CE-CB 3.68Å; M1-D25 WeakPolarHBondContact CE-O 3.23Å; M1-D25 PolarHBondContact N-OD1 3.48Å; M1-D25 PolarHBondContact N-OD2 3.14Å; M1-H28 HydrophobicContact CE-CB 4.22Å; M1-T29 WeakPolarHBondContact CE-OG1 3.35Å; M1-A128 HydrophobicContact CB-CB 3.94Å; M1-A128 WeakPolarHBondContact CB-O 3.49Å; M1-A128 PolarHBondContact N-O 3.11Å; M1-A128 HydrophobicContact SD-CB 4.39Å; M1-C129 WeakPolarHBondContact O-CA 3.19Å; M1-C129 PolarHBondContact O-SG 3.29Å
2K87.5Confident84Confident114 Ų11495.9 Ų95.950%0.49647%0.468SS..EExtended strand (participates in β ladder)trans-113.8121.5174.2-174.2175.7-176172.80111.9L4 L18 V19 E21K2-L4 HydrophobicContact CD-CD2 4.31Å; K2-L4 HydrophobicContact CG-CD2 4.35Å; K2-L18 WeakPolarHBondContact O-CA 3.39Å; K2-V19 HydrophobicContact CB-CB 4.36Å; K2-V19 PolarHBondContact N-O 3.43Å; K2-V19 PolarHBondContact O-N 3.46Å; K2-E21 HydrophobicContact CB-CG 4.48Å
3L91.4Very high84.1Confident68 Ų6891.2 Ų91.236%0.35645%0.454SS..EExtended strand (participates in β ladder)trans-80123.6171.3179.867.1000109.9K6 V16 L18L3-K6 HydrophobicContact CD1-CB 4.39Å; L3-K6 HydrophobicContact CD2-CB 4.34Å; L3-K6 HydrophobicContact CD2-CD 4.44Å; L3-V16 HydrophobicContact CD1-CG1 3.41Å; L3-V16 VanDerWaalsContact CD1-CG1 3.41Å; L3-L18 HydrophobicContact CB-CD2 4.2Å; L3-L18 HydrophobicContact CD1-CD2 3.51Å; L3-L18 HydrophobicContact CG-CD2 4.47Å
4L91.4Very high84.5Confident87 Ų8785.7 Ų85.746%0.45543%0.432SS..EExtended strand (participates in β ladder)trans-100.3-45.1178.6-67.5-177.7000112.5K2 T17 V19 K109K2-L4 HydrophobicContact CD-CD2 4.31Å; K2-L4 HydrophobicContact CG-CD2 4.35Å; L4-T17 HydrophobicContact CB-CG2 4.2Å; L4-T17 HydrophobicContact CD1-CG2 4.17Å; L4-T17 PolarHBondContact N-O 3.26Å; L4-V19 HydrophobicContact CD1-CG2 3.48Å; L4-V19 VanDerWaalsContact CD1-CG2 3.48Å; L4-V19 HydrophobicContact CD2-CG2 4.46Å; L4-V19 HydrophobicContact CG-CG2 3.87Å; L4-K109 HydrophobicContact CD1-CB 4.04Å; L4-K109 HydrophobicContact CD1-CD 4.37Å
5N90.8Very high85Confident73 Ų7387.1 Ų87.139%0.3944%0.437SS..EExtended strand (participates in β ladder)trans-147.1143.8-179.6-165.121.6000110.6D7 V16 T17N5-D7 PolarHBondContact ND2-OD2 3.29Å; N5-V16 WeakPolarHBondContact O-CA 3.44Å; N5-T17 PolarHBondContact N-O 3.36Å; N5-T17 PolarHBondContact O-N 3.27Å
6K90.7Very high85.5Confident94 Ų9481.8 Ų81.841%0.40941%0.41SS..EExtended strand (participates in β ladder)trans-136.294.9-178.9-176.9179179.21790108.5L3 I8 V16L3-K6 HydrophobicContact CD1-CB 4.39Å; L3-K6 HydrophobicContact CD2-CB 4.34Å; L3-K6 HydrophobicContact CD2-CD 4.44Å; K6-I8 HydrophobicContact CD-CD1 4.23Å; K6-I8 HydrophobicContact CG-CD1 3.82Å; K6-I8 HydrophobicContact CG-CG1 3.97Å; K6-V16 HydrophobicContact CG-CG2 4.32Å
7D89Confident86Confident88 Ų8878.2 Ų78.247%0.47139%0.394SS..EExtended strand (participates in β ladder)trans-106.792177.3-65.4-37.3000108.4N5 G14 Q15N5-D7 PolarHBondContact ND2-OD2 3.29Å; D7-G14 CarbonylContact O-C 3.58Å; D7-G14 WeakPolarHBondContact O-CA 3.15Å; D7-Q15 PolarHBondContact N-O 2.64Å; D7-Q15 PolarHBondContact O-N 2.64Å
8I85.6Confident86.5Confident52 Ų5273.9 Ų73.927%0.26737%0.372SS..EExtended strand (participates in β ladder)trans-117.7118.7178.4-53178.9000108K6 V16 W117 L122K6-I8 HydrophobicContact CD-CD1 4.23Å; K6-I8 HydrophobicContact CG-CD1 3.82Å; K6-I8 HydrophobicContact CG-CG1 3.97Å; I8-V16 HydrophobicContact CD1-CG2 4.26Å; I8-V16 HydrophobicContact CG1-CG2 4.29Å; I8-W117 HydrophobicContact CD1-CB 4.33Å; I8-W117 HydrophobicContact CD1-CD2 4.24Å; I8-W117 HydrophobicContact CD1-CG 4.04Å; I8-W117 HydrophobicContact CG1-CG 4.44Å; I8-W117 HydrophobicContact CG2-CB 4.41Å; I8-W117 HydrophobicContact CG2-CG 4.43Å; I8-L122 HydrophobicContact CD1-CD2 3.67Å
9E81.3Confident86.9Confident138 Ų13870.9 Ų70.965%0.64536%0.358SS*.  trans-78.8167.4176.8-66.9-172.1168.300111.3D11 N12 A13E9-D11 PolarHBondContact O-N 3.17Å; E9-N12 PolarHBondContact O-N 2.88Å; E9-N12 VanDerWaalsContact O-N 3.11Å; E9-A13 PolarHBondContact N-O 3.11Å
10K71.6Confident87.1Confident206 Ų20667.4 Ų67.490%0.89634%0.34SS*.THydrogen-bonded Turntrans-62.4-22.4-179.4-66.9-174.6178.9-178.80113.6N12K10-N12 PolarHBondContact O-N 3.44Å
11D68.5Low87.1Confident136 Ų13667.3 Ų67.373%0.72734%0.338SS*.THydrogen-bonded Turntrans-82.912.8178.5-65.6-15.8000112.7E9 A13E9-D11 PolarHBondContact O-N 3.17Å; D11-A13 PolarHBondContact O-N 2.91Å
12N76.5Confident87.1Confident92 Ų9270.4 Ų70.449%0.49235%0.353SS..SBendtrans60.45.6-175.3-61.1-35.2000115E9 K10 K115 C116 W117E9-N12 PolarHBondContact O-N 2.88Å; E9-N12 VanDerWaalsContact O-N 3.11Å; K10-N12 PolarHBondContact O-N 3.44Å; N12-K115 CarbonylContact C-O 3.54Å; N12-C116 CarbonylContact O-C 3.54Å; N12-C116 WeakPolarHBondContact O-CA 3.43Å; N12-W117 VanDerWaalsContact O-CD1 3.28Å; N12-W117 PolarHBondContact O-N 3.02Å
13A85.6Confident86.8Confident35 Ų3566.7 Ų66.729%0.28934%0.344SS..  trans-80.7143166.500000109.6E9 D11 K115E9-A13 PolarHBondContact N-O 3.11Å; D11-A13 PolarHBondContact O-N 2.91Å; A13-K115 WeakPolarHBondContact CA-O 3.43Å; A13-K115 PolarHBondContact N-O 3.48Å
14G89.3Confident86.3Confident14 Ų1464.4 Ų64.414%0.14433%0.331CS..EExtended strand (participates in β ladder)trans179170.2-178.500000115.3D7 A113 K114 W117D7-G14 CarbonylContact O-C 3.58Å; D7-G14 WeakPolarHBondContact O-CA 3.15Å; G14-A113 WeakPolarHBondContact O-CA 3.42Å; G14-K114 PolarHBondContact N-O 3.19Å; G14-K114 PolarHBondContact O-N 2.78Å; G14-K114 VanDerWaalsContact O-N 3.09Å; G14-W117 VanDerWaalsContact C-NE1 3.33Å; G14-W117 PolarHBondContact O-NE1 2.96Å
15Q91.9Very high86.2Confident107 Ų10760.5 Ų60.550%0.531%0.311SS..EExtended strand (participates in β ladder)trans-118.2134.2176.1-70.6-175.815.500110.7D7 T111 L112 A113D7-Q15 PolarHBondContact N-O 2.64Å; D7-Q15 PolarHBondContact O-N 2.64Å; Q15-T111 HydrophobicContact CB-CG2 4.15Å; Q15-L112 CarbonylContact C-O 3.32Å; Q15-L112 WeakPolarHBondContact CA-O 3.35Å; Q15-A113 HydrophobicContact CG-CB 3.53Å
16V93.5Very high86.1Confident1 Ų157.2 Ų57.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-126.8127.1176-177.90000108.7L3 N5 K6 I8 L18 T111 L112 W117 I125L3-V16 HydrophobicContact CD1-CG1 3.41Å; L3-V16 VanDerWaalsContact CD1-CG1 3.41Å; N5-V16 WeakPolarHBondContact O-CA 3.44Å; K6-V16 HydrophobicContact CG-CG2 4.32Å; I8-V16 HydrophobicContact CD1-CG2 4.26Å; I8-V16 HydrophobicContact CG1-CG2 4.29Å; V16-L18 HydrophobicContact CG1-CD1 4.26Å; V16-L18 HydrophobicContact CG1-CD2 3.89Å; V16-L18 HydrophobicContact CG1-CG 3.9Å; V16-T111 WeakPolarHBondContact O-CA 3.17Å; V16-L112 PolarHBondContact N-O 3.33Å; V16-L112 PolarHBondContact O-N 3.02Å; V16-W117 HydrophobicContact CB-CH2 3.58Å; V16-W117 HydrophobicContact CB-CZ2 3.69Å; V16-W117 HydrophobicContact CB-CZ3 4.44Å; V16-W117 HydrophobicContact CG1-CH2 4.45Å; V16-W117 HydrophobicContact CG2-CD2 4.32Å; V16-W117 HydrophobicContact CG2-CE3 4.4Å; V16-W117 HydrophobicContact CG2-CH2 3.41Å; V16-W117 VanDerWaalsContact CG2-CH2 3.41Å; V16-W117 HydrophobicContact CG2-CZ2 3.29Å; V16-W117 HydrophobicContact CG2-CZ3 3.99Å; V16-I125 HydrophobicContact CG1-CD1 4.36Å
17T94.2Very high85.9Confident22 Ų2252.9 Ų52.914%0.13527%0.274CS..EExtended strand (participates in β ladder)trans-105.3120.8178-58.10000109.9L4 N5 K109 F110 T111L4-T17 HydrophobicContact CB-CG2 4.2Å; L4-T17 HydrophobicContact CD1-CG2 4.17Å; L4-T17 PolarHBondContact N-O 3.26Å; N5-T17 PolarHBondContact N-O 3.36Å; N5-T17 PolarHBondContact O-N 3.27Å; T17-K109 HydrophobicContact CG2-CB 4.18Å; T17-F110 WeakPolarHBondContact CA-O 3.34Å; T17-T111 WeakPolarHBondContact OG1-CG2 3.46Å; T17-T111 PolarHBondContact OG1-OG1 3.22Å
18L93.8Very high85.9Confident0 Ų049.4 Ų49.40%026%0.255CS..EExtended strand (participates in β ladder)trans-125.4152.3-173.3-60.1164.2000110M1 K2 L3 V16 L32 K109 F110 I125M1-L18 HydrophobicContact CG-CB 4.38Å; M1-L18 HydrophobicContact CG-CD2 4.47Å; M1-L18 HydrophobicContact SD-CB 3.94Å; M1-L18 HydrophobicContact SD-CD1 3.84Å; M1-L18 HydrophobicContact SD-CD2 3.93Å; M1-L18 HydrophobicContact SD-CG 4.1Å; K2-L18 WeakPolarHBondContact O-CA 3.39Å; L3-L18 HydrophobicContact CB-CD2 4.2Å; L3-L18 HydrophobicContact CD1-CD2 3.51Å; L3-L18 HydrophobicContact CG-CD2 4.47Å; V16-L18 HydrophobicContact CG1-CD1 4.26Å; V16-L18 HydrophobicContact CG1-CD2 3.89Å; V16-L18 HydrophobicContact CG1-CG 3.9Å; L18-L32 HydrophobicContact CD1-CD1 3.98Å; L18-K109 WeakPolarHBondContact O-CA 3.33Å; L18-F110 HydrophobicContact CB-CE1 3.91Å; L18-F110 HydrophobicContact CB-CE2 4.2Å; L18-F110 HydrophobicContact CB-CZ 3.69Å; L18-F110 HydrophobicContact CD1-CE2 4.08Å; L18-F110 HydrophobicContact CD1-CZ 3.89Å; L18-F110 HydrophobicContact CG-CZ 4.39Å; L18-F110 PolarHBondContact N-O 3.39Å; L18-F110 PolarHBondContact O-N 2.99Å; L18-I125 HydrophobicContact CD1-CD1 4.49Å; L18-I125 HydrophobicContact CD2-CG2 4.01Å
19V93.9Very high86.1Confident18 Ų1847 Ų4711%0.10924%0.242CC..EExtended strand (participates in β ladder)trans-121.7117169-177.60000108M1 K2 L4 E21 K109M1-V19 WeakPolarHBondContact CG-O 3.3Å; K2-V19 HydrophobicContact CB-CB 4.36Å; K2-V19 PolarHBondContact N-O 3.43Å; K2-V19 PolarHBondContact O-N 3.46Å; L4-V19 HydrophobicContact CD1-CG2 3.48Å; L4-V19 VanDerWaalsContact CD1-CG2 3.48Å; L4-V19 HydrophobicContact CD2-CG2 4.46Å; L4-V19 HydrophobicContact CG-CG2 3.87Å; V19-E21 PolarHBondContact O-N 3.2Å; V19-K109 HydrophobicContact CG2-CB 3.84Å
20P91.6Very high86.5Confident0 Ų043 Ų430%022%0.222CC..  trans-78.5118.7172.131.2-25.4000108.3D25 M26 L106 N107 R108 F110P20-D25 HydrophobicContact CB-CB 3.63Å; P20-M26 HydrophobicContact CB-CE 3.81Å; P20-M26 HydrophobicContact CB-SD 4.28Å; P20-M26 HydrophobicContact CG-CE 3.54Å; P20-M26 HydrophobicContact CG-SD 4.31Å; P20-L106 CarbonylContact O-C 3.6Å; P20-N107 PolarHBondContact O-N 2.98Å; P20-R108 WeakPolarHBondContact CD-O 3.19Å; P20-F110 HydrophobicContact CG-CD1 4.27Å; P20-F110 HydrophobicContact CG-CE1 4Å
21E87.5Confident87.3Confident65 Ų6533.9 Ų33.930%0.30418%0.183SC..  trans-93.6-35.3-179.2-62.8178.3147.800110.6K2 V19 D25 R134K2-E21 HydrophobicContact CB-CG 4.48Å; V19-E21 PolarHBondContact O-N 3.2Å; E21-D25 PolarHBondContact N-OD2 2.79Å; E21-R134 IonicContact OE2-NH1 2.61Å; E21-R134 IonicContact OE2-NH2 3.36Å; E21-R134 PolarHBondContact OE2-NH2 2.9Å
22E82.4Confident88.2Confident69 Ų6927.5 Ų27.532%0.32215%0.149SC..SBendtrans-120.2163.6-172.2-67.7175-161.700112.6E24 D25 L106 R134E22-E24 PolarHBondContact O-N 3.4Å; E22-D25 PolarHBondContact N-OD2 3.35Å; E22-D25 VanDerWaalsContact N-OD2 3.11Å; E22-D25 VanDerWaalsContact O-CB 3.3Å; E22-D25 WeakPolarHBondContact O-CB 3.11Å; E22-D25 PolarHBondContact O-N 2.87Å; E22-D25 VanDerWaalsContact O-N 3.13Å; E22-L106 VanDerWaalsContact C-CD2 3.46Å; E22-L106 VanDerWaalsContact O-CD2 3.23Å; E22-L106 WeakPolarHBondContact O-CD2 3.43Å; E22-R134 IonicContact OE1-CZ 2.79Å; E22-R134 IonicContact OE1-NE 3.64Å; E22-R134 IonicContact OE1-NH1 3.5Å; E22-R134 PolarHBondContact OE1-NH1 2.86Å
23A81.9Confident88.9Confident36 Ų3623.4 Ų23.430%0.29813%0.127SC..Hα-helixtrans-60.6-33.4178.100000112.8D25 M26 C79A23-D25 VanDerWaalsContact C-N 3.3Å; A23-D25 PolarHBondContact O-N 3.35Å; A23-M26 WeakPolarHBondContact O-CB 3.36Å; A23-M26 PolarHBondContact O-N 3.06Å; A23-C79 HydrophobicContact CB-CB 3.69Å
24E81.8Confident88.9Confident20 Ų2023.1 Ų23.19%0.09312%0.12CC..Hα-helixtrans-68.1-29.7176.9-173.9165.4-130.400112.5E22 M26 W27 H28 T153 P154 A155 M156E22-E24 PolarHBondContact O-N 3.4Å; E24-M26 PolarHBondContact O-N 2.62Å; E24-W27 WeakPolarHBondContact O-CA 3.26Å; E24-W27 WeakPolarHBondContact O-CB 3.44Å; E24-W27 PolarHBondContact O-N 3.37Å; E24-H28 PolarHBondContact O-CD2 2.8Å; E24-H28 VanDerWaalsContact O-CD2 3.28Å; E24-H28 PolarHBondContact O-N 3.04Å; E24-T153 VanDerWaalsContact OE1-CB 3.31Å; E24-T153 WeakPolarHBondContact OE1-CB 3.26Å; E24-T153 PolarHBondContact OE1-OG1 3.1Å; E24-P154 WeakPolarHBondContact OE1-CD 3.37Å; E24-A155 HydrophobicContact CG-CB 4.12Å; E24-A155 WeakPolarHBondContact OE1-CA 3.43Å; E24-A155 WeakPolarHBondContact OE1-CB 3.33Å; E24-A155 PolarHBondContact OE1-N 2.81Å; E24-M156 HydrophobicContact CB-CE 4.22Å
25D87.9Confident88.9Confident5 Ų526.9 Ų26.93%0.02714%0.139CC..Hα-helixtrans-62-27.4175.9-67-25.8000112.1M1 P20 E21 E22 A23 W27 H28 T29M1-D25 VanDerWaalsContact CA-CG 3.42Å; M1-D25 WeakPolarHBondContact CA-OD1 3.43Å; M1-D25 WeakPolarHBondContact CA-OD2 3.37Å; M1-D25 HydrophobicContact CB-CB 4.25Å; M1-D25 VanDerWaalsContact CB-OD1 3.3Å; M1-D25 WeakPolarHBondContact CB-OD1 3.49Å; M1-D25 HydrophobicContact CE-CB 3.68Å; M1-D25 WeakPolarHBondContact CE-O 3.23Å; M1-D25 PolarHBondContact N-OD1 3.48Å; M1-D25 PolarHBondContact N-OD2 3.14Å; P20-D25 HydrophobicContact CB-CB 3.63Å; E21-D25 PolarHBondContact N-OD2 2.79Å; E22-D25 PolarHBondContact N-OD2 3.35Å; E22-D25 VanDerWaalsContact N-OD2 3.11Å; E22-D25 VanDerWaalsContact O-CB 3.3Å; E22-D25 WeakPolarHBondContact O-CB 3.11Å; E22-D25 PolarHBondContact O-N 2.87Å; E22-D25 VanDerWaalsContact O-N 3.13Å; A23-D25 VanDerWaalsContact C-N 3.3Å; A23-D25 PolarHBondContact O-N 3.35Å; D25-W27 VanDerWaalsContact C-N 3.34Å; D25-H28 PolarHBondContact O-N 3.38Å; D25-T29 WeakPolarHBondContact O-CB 3.41Å; D25-T29 PolarHBondContact O-N 3.46Å; D25-T29 PolarHBondContact O-OG1 2.94Å
26M89Confident88.7Confident3 Ų323.6 Ų23.62%0.01513%0.134CC..Hα-helixtrans-68-36.3174.4-64.5-64.3174.600111.5P20 A23 E24 T29 Y30 F74 C79 L81 L104 L106P20-M26 HydrophobicContact CB-CE 3.81Å; P20-M26 HydrophobicContact CB-SD 4.28Å; P20-M26 HydrophobicContact CG-CE 3.54Å; P20-M26 HydrophobicContact CG-SD 4.31Å; A23-M26 WeakPolarHBondContact O-CB 3.36Å; A23-M26 PolarHBondContact O-N 3.06Å; E24-M26 PolarHBondContact O-N 2.62Å; M26-T29 PolarHBondContact O-N 2.85Å; M26-Y30 WeakPolarHBondContact O-CB 3.44Å; M26-Y30 PolarHBondContact O-N 3.4Å; M26-F74 HydrophobicContact CB-CE2 4.04Å; M26-C79 WeakPolarHBondContact CB-O 3.37Å; M26-C79 WeakPolarHBondContact CG-O 3.39Å; M26-L81 HydrophobicContact SD-CB 4.34Å; M26-L104 HydrophobicContact CE-CB 4.17Å; M26-L104 HydrophobicContact SD-CB 3.94Å; M26-L106 HydrophobicContact CE-CD2 3.69Å; M26-L106 HydrophobicContact CE-CG 4.01Å; M26-L106 HydrophobicContact CG-CD2 4.38Å
27W87.6Confident88.6Confident4 Ų424.1 Ų24.12%0.01514%0.137CC..Hα-helixtrans-67.8-40.9172.3171.3-109.5000111.9E24 D25 Y30 N31 F74 D315 S347 L349E24-W27 WeakPolarHBondContact O-CA 3.26Å; E24-W27 WeakPolarHBondContact O-CB 3.44Å; E24-W27 PolarHBondContact O-N 3.37Å; D25-W27 VanDerWaalsContact C-N 3.34Å; W27-Y30 AromaticContact CE3-CD1 3.62Å; W27-Y30 HydrophobicContact CE3-CD1 3.62Å; W27-Y30 HydrophobicContact CE3-CE1 4.32Å; W27-Y30 HydrophobicContact CH2-CD1 4.3Å; W27-Y30 HydrophobicContact CH2-CE1 4.37Å; W27-Y30 AromaticContact CZ3-CD1 3.42Å; W27-Y30 HydrophobicContact CZ3-CD1 3.42Å; W27-Y30 VanDerWaalsContact CZ3-CD1 3.42Å; W27-Y30 AromaticContact CZ3-CE1 3.66Å; W27-Y30 HydrophobicContact CZ3-CE1 3.66Å; W27-Y30 WeakPolarHBondContact O-CB 3.35Å; W27-Y30 PolarHBondContact O-N 3.46Å; W27-N31 PolarHBondContact NE1-ND2 3Å; W27-N31 PolarHBondContact O-N 3.34Å; W27-N31 PolarHBondContact O-ND2 3.06Å; W27-F74 HydrophobicContact CB-CE2 4.42Å; W27-F74 HydrophobicContact CB-CZ 4Å; W27-F74 AromaticContact CE3-CD1 3.84Å; W27-F74 HydrophobicContact CE3-CD1 3.84Å; W27-F74 AromaticContact CE3-CE1 3.54Å; W27-F74 HydrophobicContact CE3-CE1 3.54Å; W27-F74 HydrophobicContact CE3-CZ 4.02Å; W27-F74 HydrophobicContact CZ3-CD1 4.09Å; W27-F74 HydrophobicContact CZ3-CE1 4.12Å; W27-D315 WeakPolarHBondContact CZ2-OD2 3.38Å; W27-S347 VanDerWaalsContact CZ2-OG 3.25Å; W27-S347 WeakPolarHBondContact CZ2-OG 3.45Å; W27-S347 PolarHBondContact NE1-OG 3.4Å; W27-L349 HydrophobicContact CD2-CD1 4.12Å; W27-L349 HydrophobicContact CE3-CD1 3.53Å; W27-L349 HydrophobicContact CE3-CG 4.46Å; W27-L349 HydrophobicContact CH2-CB 4.36Å; W27-L349 HydrophobicContact CH2-CD1 3.5Å; W27-L349 VanDerWaalsContact CH2-CD1 3.5Å; W27-L349 HydrophobicContact CH2-CG 3.5Å; W27-L349 VanDerWaalsContact CH2-CG 3.5Å; W27-L349 HydrophobicContact CZ2-CB 4.47Å; W27-L349 HydrophobicContact CZ2-CD1 4.11Å; W27-L349 HydrophobicContact CZ2-CG 4.07Å; W27-L349 HydrophobicContact CZ3-CD1 3.19Å; W27-L349 HydrophobicContact CZ3-CG 3.75Å
28H88.3Confident88.5Confident15 Ų1524.5 Ų24.57%0.06914%0.141CC..Hα-helixtrans-60.2-48.5172.3-74.4-79.4000110.6M1 E24 D25 Y30 N31 L32 A128M1-H28 HydrophobicContact CE-CB 4.22Å; E24-H28 PolarHBondContact O-CD2 2.8Å; E24-H28 VanDerWaalsContact O-CD2 3.28Å; E24-H28 PolarHBondContact O-N 3.04Å; D25-H28 PolarHBondContact O-N 3.38Å; H28-Y30 VanDerWaalsContact C-N 3.31Å; H28-Y30 PolarHBondContact O-N 3.27Å; H28-N31 WeakPolarHBondContact O-CB 3.44Å; H28-N31 PolarHBondContact O-N 2.71Å; H28-L32 WeakPolarHBondContact O-CG 3.36Å; H28-L32 PolarHBondContact O-N 2.84Å; H28-L32 VanDerWaalsContact O-N 3.09Å; H28-A128 HydrophobicContact CB-CB 3.89Å
29T90.1Very high88.6Confident0 Ų024.5 Ų24.50%014%0.141CC..Hα-helixtrans-59.5-40.9178.4-51.40000112.3M1 D25 M26 N31 L32 L33 L81 L104 F110M1-T29 WeakPolarHBondContact CE-OG1 3.35Å; D25-T29 WeakPolarHBondContact O-CB 3.41Å; D25-T29 PolarHBondContact O-N 3.46Å; D25-T29 PolarHBondContact O-OG1 2.94Å; M26-T29 PolarHBondContact O-N 2.85Å; T29-N31 PolarHBondContact O-N 3.37Å; T29-L32 PolarHBondContact O-N 3.42Å; T29-L33 HydrophobicContact CG2-CD1 3.95Å; T29-L33 HydrophobicContact CG2-CG 4.36Å; T29-L33 PolarHBondContact O-N 3.18Å; T29-L81 HydrophobicContact CG2-CD2 3.6Å; T29-L104 HydrophobicContact CG2-CD2 3.76Å; T29-F110 HydrophobicContact CG2-CE1 4.04Å; T29-F110 HydrophobicContact CG2-CE2 3.7Å; T29-F110 HydrophobicContact CG2-CZ 3.34Å
30Y89.9Confident88.6Confident55 Ų5529.6 Ų29.622%0.21616%0.158CC..Hα-helixtrans-56.1-39.7175.4173.9-121.8000112.2M26 W27 H28 I72 F74 L81M26-Y30 WeakPolarHBondContact O-CB 3.44Å; M26-Y30 PolarHBondContact O-N 3.4Å; W27-Y30 AromaticContact CE3-CD1 3.62Å; W27-Y30 HydrophobicContact CE3-CD1 3.62Å; W27-Y30 HydrophobicContact CE3-CE1 4.32Å; W27-Y30 HydrophobicContact CH2-CD1 4.3Å; W27-Y30 HydrophobicContact CH2-CE1 4.37Å; W27-Y30 AromaticContact CZ3-CD1 3.42Å; W27-Y30 HydrophobicContact CZ3-CD1 3.42Å; W27-Y30 VanDerWaalsContact CZ3-CD1 3.42Å; W27-Y30 AromaticContact CZ3-CE1 3.66Å; W27-Y30 HydrophobicContact CZ3-CE1 3.66Å; W27-Y30 WeakPolarHBondContact O-CB 3.35Å; W27-Y30 PolarHBondContact O-N 3.46Å; H28-Y30 VanDerWaalsContact C-N 3.31Å; H28-Y30 PolarHBondContact O-N 3.27Å; Y30-I72 HydrophobicContact CD2-CG2 3.53Å; Y30-I72 HydrophobicContact CE2-CB 4.33Å; Y30-I72 HydrophobicContact CE2-CG2 3.73Å; Y30-F74 HydrophobicContact CD1-CB 4Å; Y30-F74 HydrophobicContact CD1-CD1 4.36Å; Y30-F74 HydrophobicContact CD1-CG 4.14Å; Y30-F74 HydrophobicContact CD2-CB 3.6Å; Y30-F74 HydrophobicContact CD2-CG 4.39Å; Y30-F74 HydrophobicContact CE1-CB 4.14Å; Y30-F74 HydrophobicContact CE2-CB 3.82Å; Y30-F74 HydrophobicContact CG-CB 3.71Å; Y30-F74 HydrophobicContact CG-CD2 4.34Å; Y30-F74 HydrophobicContact CG-CG 4.01Å; Y30-L81 HydrophobicContact CD2-CD1 3.78Å; Y30-L81 HydrophobicContact CG-CD1 4.32Å
31N87.6Confident88.8Confident15 Ų1530 Ų308%0.0816%0.161CC..Hα-helixtrans-78.6-20.3177.9-68.9-50.7000114W27 H28 T29 R124 R319W27-N31 PolarHBondContact NE1-ND2 3Å; W27-N31 PolarHBondContact O-N 3.34Å; W27-N31 PolarHBondContact O-ND2 3.06Å; H28-N31 WeakPolarHBondContact O-CB 3.44Å; H28-N31 PolarHBondContact O-N 2.71Å; T29-N31 PolarHBondContact O-N 3.37Å; N31-R124 VanDerWaalsContact CB-NH1 3.31Å; N31-R124 PolarHBondContact ND2-NH1 2.66Å; N31-R319 PolarHBondContact OD1-NH1 3.2Å
32L88.9Confident89Confident1 Ų128.2 Ų28.21%0.00516%0.156CC..Hα-helixtrans-80.1-38.2175.8-62.8173000111.3L18 H28 T29 L112 K114 V121 R124 I125L18-L32 HydrophobicContact CD1-CD1 3.98Å; H28-L32 WeakPolarHBondContact O-CG 3.36Å; H28-L32 PolarHBondContact O-N 2.84Å; H28-L32 VanDerWaalsContact O-N 3.09Å; T29-L32 PolarHBondContact O-N 3.42Å; L32-L112 HydrophobicContact CB-CD2 4.11Å; L32-K114 WeakPolarHBondContact O-CE 3.31Å; L32-K114 PolarHBondContact O-NZ 3.13Å; L32-V121 HydrophobicContact CD2-CB 4.5Å; L32-V121 HydrophobicContact CD2-CG1 3.54Å; L32-R124 HydrophobicContact CD2-CB 4.27Å; L32-R124 HydrophobicContact CD2-CG 4.29Å; L32-I125 HydrophobicContact CD1-CD1 4.23Å; L32-I125 HydrophobicContact CD1-CG1 3.66Å; L32-I125 HydrophobicContact CD2-CD1 4.22Å; L32-I125 HydrophobicContact CD2-CG1 3.76Å; L32-I125 HydrophobicContact CG-CG1 4.38Å
33L89.3Confident89.4Confident7 Ų725.3 Ų25.34%0.03714%0.143CC..  trans-69.6138.5-177.1-75.9161.2000112.5T29 L39 V69 I72 L81 V83 L112T29-L33 HydrophobicContact CG2-CD1 3.95Å; T29-L33 HydrophobicContact CG2-CG 4.36Å; T29-L33 PolarHBondContact O-N 3.18Å; L33-L39 HydrophobicContact CD2-CB 4.4Å; L33-L39 HydrophobicContact CD2-CD1 4.2Å; L33-L39 HydrophobicContact CD2-CD2 4.19Å; L33-L39 HydrophobicContact CD2-CG 4.5Å; L33-V69 HydrophobicContact CD2-CG2 4.24Å; L33-I72 HydrophobicContact CB-CD1 3.6Å; L33-I72 HydrophobicContact CB-CG1 4.34Å; L33-I72 HydrophobicContact CD1-CG2 4.4Å; L33-I72 WeakPolarHBondContact O-CD1 3.04Å; L33-L81 HydrophobicContact CD1-CD1 4.47Å; L33-L81 HydrophobicContact CD1-CD2 3.54Å; L33-L81 HydrophobicContact CD1-CG 4.33Å; L33-V83 HydrophobicContact CD1-CG2 3.63Å; L33-L112 HydrophobicContact CD2-CD1 3.49Å; L33-L112 VanDerWaalsContact CD2-CD1 3.49Å; L33-L112 HydrophobicContact CG-CD1 4.45Å
34Q87Confident89.8Confident29 Ų2926.9 Ų26.914%0.13615%0.145CC..  trans-131.4157.6171.7-69.7144.116.700111.9G36 D37 V69 R326Q34-G36 PolarHBondContact O-N 3.01Å; Q34-D37 WeakPolarHBondContact CB-OD2 3.4Å; Q34-D37 PolarHBondContact N-OD2 3.33Å; Q34-D37 WeakPolarHBondContact O-CB 2.92Å; Q34-D37 PolarHBondContact O-N 3.01Å; Q34-V69 WeakPolarHBondContact O-CB 3.45Å; Q34-V69 WeakPolarHBondContact O-CG1 3.5Å; Q34-R326 VanDerWaalsContact CD-NH2 3.33Å; Q34-R326 VanDerWaalsContact NE2-NH1 3.12Å; Q34-R326 VanDerWaalsContact OE1-CZ 3.26Å; Q34-R326 VanDerWaalsContact OE1-NH2 3.1Å
35V89.3Confident90Very high92 Ų9229 Ų2956%0.55815%0.153SC*.THydrogen-bonded Turntrans-65.2129.2172.4-1790000108.9E70V35-E70 WeakPolarHBondContact CG2-O 3.43Å
36G88Confident90Very high38 Ų3835.1 Ų35.139%0.39218%0.179SC..THydrogen-bonded Turntrans91.8-8.5-176.800000115.1Q34 V69Q34-G36 PolarHBondContact O-N 3.01Å; G36-V69 PolarHBondContact N-O 2.88Å
37D90.9Very high89.8Confident12 Ų1235.9 Ų35.96%0.06418%0.184CC..  trans-74.9162.7169.3-70.9-25.1000111Q34 V69 L112 K114Q34-D37 WeakPolarHBondContact CB-OD2 3.4Å; Q34-D37 PolarHBondContact N-OD2 3.33Å; Q34-D37 WeakPolarHBondContact O-CB 2.92Å; Q34-D37 PolarHBondContact O-N 3.01Å; D37-V69 WeakPolarHBondContact O-CB 3.34Å; D37-V69 WeakPolarHBondContact O-CG2 3.44Å; D37-V69 PolarHBondContact O-N 3.45Å; D37-L112 HydrophobicContact CB-CD1 4.4Å; D37-K114 IonicContact OD2-NZ 2.65Å; D37-K114 PolarHBondContact OD2-NZ 3.4Å
38S92.8Very high89.6Confident31 Ų3142.7 Ų42.722%0.21722%0.216CC..EExtended strand (participates in β ladder)trans-104.6134.6173.768.80000111.4L67 A113S38-L67 CarbonylContact C-O 3.21Å; S38-L67 VanDerWaalsContact CA-O 3.29Å; S38-L67 WeakPolarHBondContact CA-O 3.07Å; S38-A113 PolarHBondContact N-O 3.23Å; S38-A113 PolarHBondContact O-N 3.49Å; S38-A113 WeakPolarHBondContact OG-CB 3.31Å
39L94.9Very high89.1Confident0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-123.1126.4179.7177.467.9000109.8L33 T66 L67 V69 V83 I102 L104 F110 L112L33-L39 HydrophobicContact CD2-CB 4.4Å; L33-L39 HydrophobicContact CD2-CD1 4.2Å; L33-L39 HydrophobicContact CD2-CD2 4.19Å; L33-L39 HydrophobicContact CD2-CG 4.5Å; L39-T66 WeakPolarHBondContact O-CA 3.38Å; L39-L67 PolarHBondContact N-O 3.34Å; L39-L67 PolarHBondContact O-N 3.49Å; L39-V69 HydrophobicContact CB-CG2 3.9Å; L39-V83 HydrophobicContact CD2-CB 3.82Å; L39-V83 HydrophobicContact CD2-CG1 3.77Å; L39-V83 HydrophobicContact CD2-CG2 3.81Å; L39-I102 HydrophobicContact CD2-CD1 4.31Å; L39-L104 HydrophobicContact CD2-CD1 4.13Å; L39-F110 HydrophobicContact CD1-CB 4.2Å; L39-F110 HydrophobicContact CD1-CD2 3.65Å; L39-F110 HydrophobicContact CD1-CG 4.32Å; L39-L112 HydrophobicContact CD1-CD1 4.41Å
40R94.4Very high88.8Confident125 Ų12552.9 Ų52.947%0.47227%0.269SS..EExtended strand (participates in β ladder)trans-112.5118.5174.6-173.6176.3-174.2-140.94.4110.7T64 L65 T66 F110 T111R40-T64 HydrophobicContact CG-CG2 3.68Å; R40-L65 WeakPolarHBondContact CA-O 3.35Å; R40-T66 HydrophobicContact CB-CG2 4.22Å; R40-T66 WeakPolarHBondContact CG-OG1 3.38Å; R40-F110 CarbonylContact O-C 3.56Å; R40-F110 WeakPolarHBondContact O-CA 3.01Å; R40-T111 PolarHBondContact N-O 2.93Å; R40-T111 PolarHBondContact O-N 2.92Å
41A94.4Very high88.1Confident8 Ų852.6 Ų52.67%0.06628%0.275CS..EExtended strand (participates in β ladder)trans-151.2163.1-179.900000112.3T64 L65 I102 F110A41-T64 WeakPolarHBondContact O-CA 3.44Å; A41-L65 PolarHBondContact N-O 2.98Å; A41-L65 VanDerWaalsContact N-O 3.1Å; A41-L65 PolarHBondContact O-N 2.93Å; A41-I102 HydrophobicContact CB-CD1 4.04Å; A41-I102 HydrophobicContact CB-CG2 3.75Å; A41-F110 HydrophobicContact CB-CB 4Å
42S92.5Very high87.5Confident28 Ų2859.4 Ų59.420%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-77.7128.7175.569.10000111
43T91.3Very high86.9Confident8 Ų865 Ų655%0.04935%0.351CS..EExtended strand (participates in β ladder)trans-130.3165.1173.365.90000112.2R62 T63 L65 H100 I102T43-R62 CarbonylContact O-C 3.47Å; T43-R62 WeakPolarHBondContact O-CA 3.39Å; T43-T63 PolarHBondContact N-O 3Å; T43-T63 PolarHBondContact O-N 3.34Å; T43-T63 VanDerWaalsContact O-O 3.1Å; T43-L65 WeakPolarHBondContact OG1-CD1 3.41Å; T43-H100 VanDerWaalsContact CB-NE2 3.32Å; T43-H100 WeakPolarHBondContact CB-NE2 3.49Å; T43-H100 PolarHBondContact OG1-NE2 3.03Å; T43-I102 HydrophobicContact CG2-CB 3.83Å; T43-I102 HydrophobicContact CG2-CD1 4.08Å; T43-I102 HydrophobicContact CG2-CG1 3.62Å; T43-I102 HydrophobicContact CG2-CG2 3.61Å
44I90.1Very high86.3Confident68 Ų6867 Ų6735%0.34937%0.374SS..EExtended strand (participates in β ladder)trans-107.5124.4173-62.6168.6000107.9R60 R62I44-R60 HydrophobicContact CG2-CB 4.14Å; I44-R62 HydrophobicContact CG1-CB 4.45Å
45R85.5Confident85.9Confident64 Ų6469.3 Ų69.324%0.24239%0.393CS..EExtended strand (participates in β ladder)trans-118137.8175.7-171.7173.1179.1130.4-2.9110.3V61 V94R45-V61 PolarHBondContact N-O 3.42Å; R45-V61 PolarHBondContact O-N 2.99Å; R45-V94 VanDerWaalsContact CD-CG2 3.44Å
46K87.6Confident85.5Confident135 Ų13569.8 Ų69.859%0.58740%0.396SS*.EExtended strand (participates in β ladder)trans-80.5115.8166.8-171.6176.6-179.8178.60107.8S58 S59K46-S58 WeakPolarHBondContact CE-OG 3.36Å; K46-S59 WeakPolarHBondContact CA-O 3.42Å
47V85.5Confident85.2Confident19 Ų1969.5 Ų69.512%0.11539%0.393CS..EExtended strand (participates in β ladder)trans-103.1125177.5-173.80000107.4T49 S58 S59 V61 Y93V47-T49 HydrophobicContact CG1-CG2 4.12Å; V47-S58 WeakPolarHBondContact O-CA 3.44Å; V47-S59 PolarHBondContact N-O 3.32Å; V47-S59 PolarHBondContact O-N 3.43Å; V47-V61 HydrophobicContact CB-CG2 4.49Å; V47-V61 HydrophobicContact CG2-CB 4.33Å; V47-V61 HydrophobicContact CG2-CG2 4.02Å; V47-Y93 HydrophobicContact CB-CD1 4.48Å; V47-Y93 HydrophobicContact CG1-CD1 4.04Å; V47-Y93 HydrophobicContact CG2-CD1 3.83Å; V47-Y93 HydrophobicContact CG2-CG 4.06Å
48Q83.3Confident84.9Confident147 Ų14772.5 Ų72.569%0.68742%0.415SS*.EExtended strand (participates in β ladder)trans-90119.7168.6-72.2177-23.300107.4G57Q48-G57 WeakPolarHBondContact CA-O 3.29Å
49T78.7Confident84.5Confident76 Ų7673.5 Ų73.547%0.46642%0.422SS..EExtended strand (participates in β ladder)trans-113.6121.7175.145.20000107.8V47 G57V47-T49 HydrophobicContact CG1-CG2 4.12Å; T49-G57 PolarHBondContact N-O 2.85Å; T49-G57 PolarHBondContact O-N 3.41Å
50E82.1Confident84.3Confident153 Ų15383 Ų8372%0.71546%0.458SS*.EExtended strand (participates in β ladder)trans-90.8121.9174.2-160.5169.8-168.100108.2
51S77.1Confident84Confident48 Ų4878.5 Ų78.534%0.33644%0.444SS..  trans-74.8157.9175.866.40000110.4T53 G54 S55S51-T53 PolarHBondContact O-N 2.76Å; S51-T53 PolarHBondContact OG-OG1 2.89Å; S51-G54 PolarHBondContact O-N 2.91Å; S51-S55 PolarHBondContact N-O 2.69Å; S51-S55 WeakPolarHBondContact OG-CB 3.41Å; S51-S55 PolarHBondContact OG-N 3.47Å; S51-S55 PolarHBondContact OG-O 2.95Å
52T73.3Confident83.8Confident159 Ų15984.7 Ų84.798%0.97547%0.466SS*.THydrogen-bonded Turntrans-57.3-17.6173.228.60000113.8
53T77.3Confident83.8Confident118 Ų11883.9 Ų83.972%0.72446%0.46SS*.THydrogen-bonded Turntrans-86.51.8173.736.60000114.7S51 S55S51-T53 PolarHBondContact O-N 2.76Å; S51-T53 PolarHBondContact OG-OG1 2.89Å; T53-S55 VanDerWaalsContact C-N 3.33Å
54G76.3Confident83.8Confident49 Ų4986.9 Ų86.951%0.50548%0.478SS..SBendtrans807.7179.900000114.8S51S51-G54 PolarHBondContact O-N 2.91Å
55S78.4Confident83.9Confident78 Ų7883.7 Ų83.755%0.54546%0.462SS..  trans-85.2127.9176.5-61.50000110.3S51 T53 G57S51-S55 PolarHBondContact N-O 2.69Å; S51-S55 WeakPolarHBondContact OG-CB 3.41Å; S51-S55 PolarHBondContact OG-N 3.47Å; S51-S55 PolarHBondContact OG-O 2.95Å; T53-S55 VanDerWaalsContact C-N 3.33Å; S55-G57 PolarHBondContact O-N 3.4Å
56V81.9Confident84.4Confident101 Ų10181 Ų8161%0.61245%0.453SS*.EExtended strand (participates in β ladder)trans-89.1109.9179.8-157.50000109.7
57G80.4Confident84.7Confident32 Ų3274.6 Ų74.633%0.3343%0.425SS..EExtended strand (participates in β ladder)trans-96.4142.1172.600000111.1Q48 T49 S55Q48-G57 WeakPolarHBondContact CA-O 3.29Å; T49-G57 PolarHBondContact N-O 2.85Å; T49-G57 PolarHBondContact O-N 3.41Å; S55-G57 PolarHBondContact O-N 3.4Å
58S84.8Confident85.1Confident76 Ų7675.3 Ų75.353%0.53143%0.431SS..EExtended strand (participates in β ladder)trans-119.2121.5170.782.90000111.2K46 V47K46-S58 WeakPolarHBondContact CE-OG 3.36Å; V47-S58 WeakPolarHBondContact O-CA 3.44Å
59S85.9Confident85.6Confident52 Ų5268.4 Ų68.436%0.36440%0.399SS..EExtended strand (participates in β ladder)trans-118.9149176.463.10000110.4K46 V47K46-S59 WeakPolarHBondContact CA-O 3.42Å; V47-S59 PolarHBondContact N-O 3.32Å; V47-S59 PolarHBondContact O-N 3.43Å
60R89.6Confident86.3Confident198 Ų19868.2 Ų68.275%0.74739%0.392SS*.EExtended strand (participates in β ladder)trans-98.9115.5172.7-66.1179.477.4-176.54.3107.7I44I44-R60 HydrophobicContact CG2-CB 4.14Å
61V89.1Confident86.7Confident31 Ų3162.7 Ų62.719%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-113.3134.2-178.5-169.30000108.7R45 V47 T63 Y93R45-V61 PolarHBondContact N-O 3.42Å; R45-V61 PolarHBondContact O-N 2.99Å; V47-V61 HydrophobicContact CB-CG2 4.49Å; V47-V61 HydrophobicContact CG2-CB 4.33Å; V47-V61 HydrophobicContact CG2-CG2 4.02Å; V61-T63 HydrophobicContact CB-CG2 4.47Å; V61-T63 HydrophobicContact CG1-CG2 3.93Å; V61-Y93 HydrophobicContact CG1-CD2 4.37Å; V61-Y93 HydrophobicContact CG1-CE2 3.82Å; V61-Y93 HydrophobicContact CG2-CE1 4.47Å
62R90.2Very high87.4Confident138 Ų13861.9 Ų61.952%0.52137%0.365SS..EExtended strand (participates in β ladder)trans-87.1125.8170.1178171.6-78.1168.31.2108.8T43 I44 R108T43-R62 CarbonylContact O-C 3.47Å; T43-R62 WeakPolarHBondContact O-CA 3.39Å; I44-R62 HydrophobicContact CG1-CB 4.45Å; R62-R108 VanDerWaalsContact CZ-NH2 3.35Å
63T90.6Very high88.2Confident12 Ų1259.1 Ų59.17%0.07434%0.344CS..EExtended strand (participates in β ladder)trans-138.4150.8-174.748.60000109.6T43 V61 Y93T43-T63 PolarHBondContact N-O 3Å; T43-T63 PolarHBondContact O-N 3.34Å; T43-T63 VanDerWaalsContact O-O 3.1Å; V61-T63 HydrophobicContact CB-CG2 4.47Å; V61-T63 HydrophobicContact CG1-CG2 3.93Å; T63-Y93 HydrophobicContact CG2-CD2 3.31Å; T63-Y93 HydrophobicContact CG2-CE2 3.74Å; T63-Y93 HydrophobicContact CG2-CG 4.24Å
64T92.4Very high88.7Confident70 Ų7055.3 Ų55.343%0.42932%0.317SS..EExtended strand (participates in β ladder)trans-94.3123.2171.8-55.50000108R40 A41 N91R40-T64 HydrophobicContact CG-CG2 3.68Å; A41-T64 WeakPolarHBondContact O-CA 3.44Å; T64-N91 PolarHBondContact O-ND2 2.86Å
65L92.8Very high89.3Confident1 Ų156.6 Ų56.61%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-115.4143180-62.7176.3000109.8R40 A41 T43 L67 N91 V94 H100R40-L65 WeakPolarHBondContact CA-O 3.35Å; A41-L65 PolarHBondContact N-O 2.98Å; A41-L65 VanDerWaalsContact N-O 3.1Å; A41-L65 PolarHBondContact O-N 2.93Å; T43-L65 WeakPolarHBondContact OG1-CD1 3.41Å; L65-L67 HydrophobicContact CB-CD2 4.14Å; L65-L67 HydrophobicContact CB-CG 4.48Å; L65-N91 HydrophobicContact CD2-CB 4.06Å; L65-N91 VanDerWaalsContact CD2-ND2 3.34Å; L65-N91 WeakPolarHBondContact CD2-ND2 3.23Å; L65-V94 HydrophobicContact CD1-CG2 4.05Å; L65-V94 HydrophobicContact CD2-CB 3.91Å; L65-V94 HydrophobicContact CD2-CG1 4.43Å; L65-V94 HydrophobicContact CD2-CG2 3.51Å; L65-V94 HydrophobicContact CG-CG2 4.44Å; L65-H100 HydrophobicContact CD1-CB 4.35Å; L65-H100 WeakPolarHBondContact CD1-CD2 3.48Å
66T94.4Very high89.3Confident8 Ų855.1 Ų55.15%0.04930%0.302CS..EExtended strand (participates in β ladder)trans-109.9108.1174.9-50.90000106.8L39 R40 N87 I88 E89L39-T66 WeakPolarHBondContact O-CA 3.38Å; R40-T66 HydrophobicContact CB-CG2 4.22Å; R40-T66 WeakPolarHBondContact CG-OG1 3.38Å; T66-N87 PolarHBondContact O-OD1 3.06Å; T66-N87 VanDerWaalsContact O-OD1 3.06Å; T66-I88 HydrophobicContact CG2-CD1 3.64Å; T66-I88 HydrophobicContact CG2-CG1 3.62Å; T66-I88 VanDerWaalsContact O-CG1 3.3Å; T66-I88 WeakPolarHBondContact O-CG1 3.49Å; T66-I88 PolarHBondContact O-N 3.36Å; T66-E89 WeakPolarHBondContact CB-OE2 3.4Å; T66-E89 HydrophobicContact CG2-CG 4.29Å; T66-E89 PolarHBondContact OG1-OE2 3.49Å
67L94.4Very high89.1Confident1 Ų157.5 Ų57.51%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-109.8142.9-176-55.1-173000111.1S38 L39 L65 T86 N87 H100 I102S38-L67 CarbonylContact C-O 3.21Å; S38-L67 VanDerWaalsContact CA-O 3.29Å; S38-L67 WeakPolarHBondContact CA-O 3.07Å; L39-L67 PolarHBondContact N-O 3.34Å; L39-L67 PolarHBondContact O-N 3.49Å; L65-L67 HydrophobicContact CB-CD2 4.14Å; L65-L67 HydrophobicContact CB-CG 4.48Å; L67-T86 CarbonylContact C-O 3.59Å; L67-T86 VanDerWaalsContact CA-O 3.3Å; L67-T86 WeakPolarHBondContact CA-O 2.97Å; L67-N87 HydrophobicContact CD2-CB 3.94Å; L67-H100 HydrophobicContact CD1-CB 3.98Å; L67-H100 WeakPolarHBondContact CD1-O 3.48Å; L67-H100 HydrophobicContact CD2-CB 4.16Å; L67-I102 HydrophobicContact CD1-CD1 3.68Å; L67-I102 HydrophobicContact CD1-CG1 3.4Å; L67-I102 HydrophobicContact CG-CD1 3.89Å; L67-I102 HydrophobicContact CG-CG1 4.17Å
68S94.9Very high89.1Confident34 Ų3458.2 Ų58.224%0.23831%0.309CS..EExtended strand (participates in β ladder)trans-79.3120159.8-177.80000108.4E70 G85 T86S68-E70 PolarHBondContact O-N 3.35Å; S68-G85 CarbonylContact O-C 3.59Å; S68-G85 WeakPolarHBondContact O-CA 3.3Å; S68-T86 PolarHBondContact N-O 2.97Å; S68-T86 PolarHBondContact O-N 3.36Å; S68-T86 VanDerWaalsContact O-N 3.13Å
69V94.1Very high88.9Confident2 Ų255 Ų551%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-70127.8-175.6178.70000110.1L33 Q34 G36 D37 L39 I72 V83L33-V69 HydrophobicContact CD2-CG2 4.24Å; Q34-V69 WeakPolarHBondContact O-CB 3.45Å; Q34-V69 WeakPolarHBondContact O-CG1 3.5Å; G36-V69 PolarHBondContact N-O 2.88Å; D37-V69 WeakPolarHBondContact O-CB 3.34Å; D37-V69 WeakPolarHBondContact O-CG2 3.44Å; D37-V69 PolarHBondContact O-N 3.45Å; L39-V69 HydrophobicContact CB-CG2 3.9Å; V69-I72 HydrophobicContact CG1-CD1 3.87Å; V69-I72 HydrophobicContact CG1-CG1 3.51Å; V69-V83 HydrophobicContact CB-CG1 4.21Å; V69-V83 HydrophobicContact CG1-CG1 3.74Å; V69-V83 HydrophobicContact CG2-CG1 3.65Å
70E92Very high89Confident71 Ų7157 Ų5733%0.33229%0.291SS..EExtended strand (participates in β ladder)trans-115.6-40175.9-70.6-174.1174.500112.7V35 S68 K84 T86 Y99V35-E70 WeakPolarHBondContact CG2-O 3.43Å; S68-E70 PolarHBondContact O-N 3.35Å; E70-K84 PolarHBondContact N-O 3.44Å; E70-T86 WeakPolarHBondContact OE1-CG2 3.35Å; E70-Y99 WeakPolarHBondContact OE2-CE1 3.39Å
71A91.2Very high89.1Confident37 Ų3747.6 Ų47.631%0.30626%0.255SS..EExtended strand (participates in β ladder)trans-141.2145.9178.200000110.3K84A71-K84 HydrophobicContact CB-CB 4.22Å; A71-K84 PolarHBondContact N-O 3.26Å; A71-K84 PolarHBondContact O-N 2.95Å
72I91.6Very high89.3Confident32 Ų3251.5 Ų51.516%0.16427%0.267CS..EExtended strand (participates in β ladder)trans-131.6118.2-175.9-52159.4000107.3Y30 L33 V69 L81Y30-I72 HydrophobicContact CD2-CG2 3.53Å; Y30-I72 HydrophobicContact CE2-CB 4.33Å; Y30-I72 HydrophobicContact CE2-CG2 3.73Å; L33-I72 HydrophobicContact CB-CD1 3.6Å; L33-I72 HydrophobicContact CB-CG1 4.34Å; L33-I72 HydrophobicContact CD1-CG2 4.4Å; L33-I72 WeakPolarHBondContact O-CD1 3.04Å; V69-I72 HydrophobicContact CG1-CD1 3.87Å; V69-I72 HydrophobicContact CG1-CG1 3.51Å; I72-L81 HydrophobicContact CG2-CD1 3.53Å
73D90.3Very high89.5Confident100 Ų10045 Ų4554%0.53524%0.242SC..EExtended strand (participates in β ladder)trans-114.5127.3179-60.3-55.9000109.3R82D73-R82 HydrophobicContact CB-CB 4.34Å; D73-R82 PolarHBondContact N-O 2.96Å; D73-R82 PolarHBondContact O-N 3.25Å
74F88.3Confident89.7Confident38 Ų3848.6 Ų48.617%0.16726%0.257CS..EExtended strand (participates in β ladder)trans-119.6124.2177178.4-103.3000110.3M26 W27 Y30 L81 L349M26-F74 HydrophobicContact CB-CE2 4.04Å; W27-F74 HydrophobicContact CB-CE2 4.42Å; W27-F74 HydrophobicContact CB-CZ 4Å; W27-F74 AromaticContact CE3-CD1 3.84Å; W27-F74 HydrophobicContact CE3-CD1 3.84Å; W27-F74 AromaticContact CE3-CE1 3.54Å; W27-F74 HydrophobicContact CE3-CE1 3.54Å; W27-F74 HydrophobicContact CE3-CZ 4.02Å; W27-F74 HydrophobicContact CZ3-CD1 4.09Å; W27-F74 HydrophobicContact CZ3-CE1 4.12Å; Y30-F74 HydrophobicContact CD1-CB 4Å; Y30-F74 HydrophobicContact CD1-CD1 4.36Å; Y30-F74 HydrophobicContact CD1-CG 4.14Å; Y30-F74 HydrophobicContact CD2-CB 3.6Å; Y30-F74 HydrophobicContact CD2-CG 4.39Å; Y30-F74 HydrophobicContact CE1-CB 4.14Å; Y30-F74 HydrophobicContact CE2-CB 3.82Å; Y30-F74 HydrophobicContact CG-CB 3.71Å; Y30-F74 HydrophobicContact CG-CD2 4.34Å; Y30-F74 HydrophobicContact CG-CG 4.01Å; F74-L81 HydrophobicContact CB-CD1 4.34Å; F74-L81 HydrophobicContact CD2-CB 4.4Å; F74-L81 HydrophobicContact CD2-CD1 4.42Å; F74-L349 HydrophobicContact CE1-CD1 4.02Å
75D87.9Confident89.8Confident76 Ų7645.2 Ų45.241%0.40624%0.236SC..EExtended strand (participates in β ladder)trans-93.8111.7171.5-175.8-23.6000109.4Q77 A78 C79 Q80D75-Q77 VanDerWaalsContact C-N 3.34Å; D75-Q77 PolarHBondContact O-N 3.39Å; D75-Q77 PolarHBondContact OD1-N 2.96Å; D75-A78 HydrophobicContact CB-CB 4.13Å; D75-A78 PolarHBondContact OD1-N 3.15Å; D75-A78 WeakPolarHBondContact OD2-CB 3.46Å; D75-C79 WeakPolarHBondContact O-CA 3.46Å; D75-C79 PolarHBondContact O-N 2.93Å; D75-Q80 PolarHBondContact N-O 2.73Å; D75-Q80 PolarHBondContact O-N 2.89Å
76S78.6Confident89.9Confident48 Ų4846.4 Ų46.434%0.33624%0.244SC..THydrogen-bonded Turntrans-67.1-29.9179.957.50000114L158S76-L158 VanDerWaalsContact O-CD2 3.25Å; S76-L158 WeakPolarHBondContact O-CD2 3.19Å
77Q77.6Confident89.9Confident150 Ų15046.2 Ų46.270%0.70124%0.242SC*.THydrogen-bonded Turntrans-82.5-45.6-177.4-66.8-172.1-200111.2D75 C79D75-Q77 VanDerWaalsContact C-N 3.34Å; D75-Q77 PolarHBondContact O-N 3.39Å; D75-Q77 PolarHBondContact OD1-N 2.96Å; Q77-C79 VanDerWaalsContact C-N 3.27Å
78A81.2Confident89.7Confident47 Ų4749.7 Ų49.739%0.38826%0.26SS..THydrogen-bonded Turntrans-77.2-15.9176.500000112.6D75 Q80D75-A78 HydrophobicContact CB-CB 4.13Å; D75-A78 PolarHBondContact OD1-N 3.15Å; D75-A78 WeakPolarHBondContact OD2-CB 3.46Å; A78-Q80 HydrophobicContact CB-CB 4.25Å; A78-Q80 HydrophobicContact CB-CG 3.94Å; A78-Q80 PolarHBondContact O-N 2.77Å
79C81Confident89.5Confident10 Ų1052.7 Ų52.77%0.06827%0.27CS..THydrogen-bonded Turntrans5340.7-171.7-58.40000111.4A23 M26 D75 Q77A23-C79 HydrophobicContact CB-CB 3.69Å; M26-C79 WeakPolarHBondContact CB-O 3.37Å; M26-C79 WeakPolarHBondContact CG-O 3.39Å; D75-C79 WeakPolarHBondContact O-CA 3.46Å; D75-C79 PolarHBondContact O-N 2.93Å; Q77-C79 VanDerWaalsContact C-N 3.27Å
80Q87.4Confident89.1Confident93 Ų9361 Ų6144%0.43531%0.309SS..EExtended strand (participates in β ladder)trans-111.4139-178.2-71-177.8-1.500110.3D75 A78D75-Q80 PolarHBondContact N-O 2.73Å; D75-Q80 PolarHBondContact O-N 2.89Å; A78-Q80 HydrophobicContact CB-CB 4.25Å; A78-Q80 HydrophobicContact CB-CG 3.94Å; A78-Q80 PolarHBondContact O-N 2.77Å
81L91.4Very high88.9Confident1 Ų159.5 Ų59.51%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-115.3124.4-179.4177.464.5000109.6M26 T29 Y30 L33 I72 F74 V83 L104M26-L81 HydrophobicContact SD-CB 4.34Å; T29-L81 HydrophobicContact CG2-CD2 3.6Å; Y30-L81 HydrophobicContact CD2-CD1 3.78Å; Y30-L81 HydrophobicContact CG-CD1 4.32Å; L33-L81 HydrophobicContact CD1-CD1 4.47Å; L33-L81 HydrophobicContact CD1-CD2 3.54Å; L33-L81 HydrophobicContact CD1-CG 4.33Å; I72-L81 HydrophobicContact CG2-CD1 3.53Å; F74-L81 HydrophobicContact CB-CD1 4.34Å; F74-L81 HydrophobicContact CD2-CB 4.4Å; F74-L81 HydrophobicContact CD2-CD1 4.42Å; L81-V83 HydrophobicContact CD2-CG2 4.48Å; L81-V83 HydrophobicContact CG-CG2 4.15Å; L81-L104 HydrophobicContact CD2-CD1 4.05Å; L81-L104 HydrophobicContact CD2-CD2 4.01Å; L81-L104 HydrophobicContact CD2-CG 4.49Å; L81-L104 HydrophobicContact CG-CD1 4.16Å; L81-L104 PolarHBondContact O-N 3.5Å
82R93.1Very high88.5Confident112 Ų11265.6 Ų65.642%0.42333%0.325SS..EExtended strand (participates in β ladder)trans-114.6130.5176.1-53.1-171.5176.9-161.3-8.3109.4D73 T101 I102 E103D73-R82 HydrophobicContact CB-CB 4.34Å; D73-R82 PolarHBondContact N-O 2.96Å; D73-R82 PolarHBondContact O-N 3.25Å; R82-T101 HydrophobicContact CB-CG2 4.08Å; R82-I102 CarbonylContact C-O 3.48Å; R82-I102 WeakPolarHBondContact CA-O 3.46Å; R82-E103 HydrophobicContact CG-CG 4.14Å; R82-E103 IonicContact CZ-OE1 3.85Å; R82-E103 IonicContact NE-OE1 2.75Å; R82-E103 PolarHBondContact NE-OE1 3.41Å; R82-E103 IonicContact NH1-OE1 3.76Å; R82-E103 PolarHBondContact NH1-OE1 2.81Å; R82-E103 IonicContact NH2-OE1 3.94Å; R82-E103 PolarHBondContact NH2-OE1 3.13Å
83V94.2Very high88.2Confident1 Ų168.1 Ų68.11%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-122.7112.3-178-172.90000108.2L33 L39 V69 L81 T101 I102 L104L33-V83 HydrophobicContact CD1-CG2 3.63Å; L39-V83 HydrophobicContact CD2-CB 3.82Å; L39-V83 HydrophobicContact CD2-CG1 3.77Å; L39-V83 HydrophobicContact CD2-CG2 3.81Å; V69-V83 HydrophobicContact CB-CG1 4.21Å; V69-V83 HydrophobicContact CG1-CG1 3.74Å; V69-V83 HydrophobicContact CG2-CG1 3.65Å; L81-V83 HydrophobicContact CD2-CG2 4.48Å; L81-V83 HydrophobicContact CG-CG2 4.15Å; V83-T101 CarbonylContact O-C 3.59Å; V83-T101 WeakPolarHBondContact O-CA 3.15Å; V83-I102 PolarHBondContact N-O 2.96Å; V83-I102 PolarHBondContact O-N 2.83Å; V83-L104 HydrophobicContact CG2-CD1 3.64Å
84K94.6Very high87.9Confident88 Ų8863.6 Ų63.638%0.38331%0.309SS..EExtended strand (participates in β ladder)trans-91.8135.9175.3-175.2-174.4173.5-167.80109.2E70 A71E70-K84 PolarHBondContact N-O 3.44Å; A71-K84 HydrophobicContact CB-CB 4.22Å; A71-K84 PolarHBondContact N-O 3.26Å; A71-K84 PolarHBondContact O-N 2.95Å
85G94.8Very high87.9Confident0 Ų070.1 Ų70.10%034%0.338CS..EExtended strand (participates in β ladder)trans-167.2176.517800000113.8S68 Y99 H100S68-G85 CarbonylContact O-C 3.59Å; S68-G85 WeakPolarHBondContact O-CA 3.3Å; G85-Y99 WeakPolarHBondContact O-CA 3.34Å; G85-H100 PolarHBondContact N-O 3.27Å; G85-H100 PolarHBondContact O-N 3.43Å; G85-H100 VanDerWaalsContact O-O 3.08Å
86T94.9Very high88Confident26 Ų2672.1 Ų72.116%0.1635%0.346CS..EExtended strand (participates in β ladder)trans-103.1139.7176.5550000111L67 S68 E70 I88 Y99L67-T86 CarbonylContact C-O 3.59Å; L67-T86 VanDerWaalsContact CA-O 3.3Å; L67-T86 WeakPolarHBondContact CA-O 2.97Å; S68-T86 PolarHBondContact N-O 2.97Å; S68-T86 PolarHBondContact O-N 3.36Å; S68-T86 VanDerWaalsContact O-N 3.13Å; E70-T86 WeakPolarHBondContact OE1-CG2 3.35Å; T86-I88 PolarHBondContact O-N 3.45Å; T86-Y99 HydrophobicContact CG2-CD1 3.79Å; T86-Y99 HydrophobicContact CG2-CD2 4.34Å; T86-Y99 HydrophobicContact CG2-CE1 3.62Å; T86-Y99 HydrophobicContact CG2-CE2 4.15Å; T86-Y99 HydrophobicContact CG2-CG 4.17Å
87N93.8Very high88.5Confident4 Ų471.9 Ų71.92%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-67.8125.4-179.9-169.943.9000112.1T66 L67 E89 V94 G97 A98T66-N87 PolarHBondContact O-OD1 3.06Å; T66-N87 VanDerWaalsContact O-OD1 3.06Å; L67-N87 HydrophobicContact CD2-CB 3.94Å; N87-E89 VanDerWaalsContact CG-O 3.31Å; N87-E89 PolarHBondContact ND2-O 3.45Å; N87-E89 PolarHBondContact OD1-O 3.4Å; N87-V94 HydrophobicContact CB-CG1 3.89Å; N87-V94 PolarHBondContact ND2-O 2.65Å; N87-G97 PolarHBondContact O-N 3.09Å; N87-A98 PolarHBondContact N-O 3.27Å
88I91.8Very high89.2Confident73 Ų7366 Ų6637%0.37433%0.328SS..  trans-102.2-18.2-177.761.1158.2000114.1T66 T86 M96T66-I88 HydrophobicContact CG2-CD1 3.64Å; T66-I88 HydrophobicContact CG2-CG1 3.62Å; T66-I88 VanDerWaalsContact O-CG1 3.3Å; T66-I88 WeakPolarHBondContact O-CG1 3.49Å; T66-I88 PolarHBondContact O-N 3.36Å; T86-I88 PolarHBondContact O-N 3.45Å; I88-M96 VanDerWaalsContact C-SD 3.52Å; I88-M96 WeakPolarHBondContact O-CE 3.41Å
89E88.9Confident89.8Confident97 Ų9770.4 Ų70.445%0.45334%0.336SS..SBendtrans-113.6143.5178.9-73.1178171.300110.5T66 N87 N91T66-E89 WeakPolarHBondContact CB-OE2 3.4Å; T66-E89 HydrophobicContact CG2-CG 4.29Å; T66-E89 PolarHBondContact OG1-OE2 3.49Å; N87-E89 VanDerWaalsContact CG-O 3.31Å; N87-E89 PolarHBondContact ND2-O 3.45Å; N87-E89 PolarHBondContact OD1-O 3.4Å; E89-N91 PolarHBondContact O-N 3.32Å
90E86.5Confident90.3Very high178 Ų17871.3 Ų71.383%0.83234%0.339SS*.  trans-64.1132.6177-171.7171.5-157.600110.5M96E90-M96 HydrophobicContact CB-CG 4.41Å; E90-M96 PolarHBondContact N-SD 2.67Å
91N87.3Confident90.6Very high38 Ų3870 Ų7020%0.20334%0.337CS..BIsolated β-bridgetrans-133.1144.7177.3-163.6-53000109.8T64 L65 E89 Y93 V94T64-N91 PolarHBondContact O-ND2 2.86Å; L65-N91 HydrophobicContact CD2-CB 4.06Å; L65-N91 VanDerWaalsContact CD2-ND2 3.34Å; L65-N91 WeakPolarHBondContact CD2-ND2 3.23Å; E89-N91 PolarHBondContact O-N 3.32Å; N91-Y93 PolarHBondContact O-N 2.93Å; N91-Y93 PolarHBondContact OD1-N 3.14Å; N91-V94 HydrophobicContact CB-CB 4.16Å; N91-V94 PolarHBondContact O-N 3.09Å; N91-V94 VanDerWaalsContact O-O 3.08Å
92Q83.7Confident90.7Very high165 Ų16570 Ų7077%0.77134%0.337SS*.THydrogen-bonded Turntrans-53.5-28.5-178.7-166.4174.62900113.7
93Y84.3Confident90.7Very high86 Ų8669.3 Ų69.334%0.33734%0.339SS..THydrogen-bonded Turntrans-115.1-5.2-176-52.2-75.5000114.2V47 V61 T63 N91V47-Y93 HydrophobicContact CB-CD1 4.48Å; V47-Y93 HydrophobicContact CG1-CD1 4.04Å; V47-Y93 HydrophobicContact CG2-CD1 3.83Å; V47-Y93 HydrophobicContact CG2-CG 4.06Å; V61-Y93 HydrophobicContact CG1-CD2 4.37Å; V61-Y93 HydrophobicContact CG1-CE2 3.82Å; V61-Y93 HydrophobicContact CG2-CE1 4.47Å; T63-Y93 HydrophobicContact CG2-CD2 3.31Å; T63-Y93 HydrophobicContact CG2-CE2 3.74Å; T63-Y93 HydrophobicContact CG2-CG 4.24Å; N91-Y93 PolarHBondContact O-N 2.93Å; N91-Y93 PolarHBondContact OD1-N 3.14Å
94V84.8Confident90.6Very high4 Ų470 Ų702%0.02434%0.343CS..BIsolated β-bridgetrans-135.6118.2-173-173.60000110.1R45 L65 N87 N91 A98R45-V94 VanDerWaalsContact CD-CG2 3.44Å; L65-V94 HydrophobicContact CD1-CG2 4.05Å; L65-V94 HydrophobicContact CD2-CB 3.91Å; L65-V94 HydrophobicContact CD2-CG1 4.43Å; L65-V94 HydrophobicContact CD2-CG2 3.51Å; L65-V94 HydrophobicContact CG-CG2 4.44Å; N87-V94 HydrophobicContact CB-CG1 3.89Å; N87-V94 PolarHBondContact ND2-O 2.65Å; N91-V94 HydrophobicContact CB-CB 4.16Å; N91-V94 PolarHBondContact O-N 3.09Å; N91-V94 VanDerWaalsContact O-O 3.08Å; V94-A98 HydrophobicContact CG1-CB 3.93Å
95K87.8Confident90.3Very high176 Ų17669.4 Ų69.477%0.76534%0.341SS*.  trans-63.1147.3174.2-61.2-175.2-179.2-176.90110.6A98K95-A98 VanDerWaalsContact O-CB 3.26Å; K95-A98 WeakPolarHBondContact O-CB 3.38Å; K95-A98 PolarHBondContact O-N 2.85Å
96M90.4Very high90Very high117 Ų11773.3 Ų73.358%0.57636%0.361SS*.THydrogen-bonded Turntrans-53.4137168.1-73.4-80.4-80.400110.3I88 E90 A98I88-M96 VanDerWaalsContact C-SD 3.52Å; I88-M96 WeakPolarHBondContact O-CE 3.41Å; E90-M96 HydrophobicContact CB-CG 4.41Å; E90-M96 PolarHBondContact N-SD 2.67Å; M96-A98 PolarHBondContact O-N 2.7Å
97G89.4Confident89.8Confident43 Ų4377.4 Ų77.444%0.44338%0.382SS..THydrogen-bonded Turntrans74.8-0.3-179.200000115.6N87N87-G97 PolarHBondContact O-N 3.09Å
98A91.6Very high89.7Confident26 Ų2680.3 Ų80.322%0.21539%0.393CS..  trans-72.2136.6176.500000111.3N87 V94 K95 M96N87-A98 PolarHBondContact N-O 3.27Å; V94-A98 HydrophobicContact CG1-CB 3.93Å; K95-A98 VanDerWaalsContact O-CB 3.26Å; K95-A98 WeakPolarHBondContact O-CB 3.38Å; K95-A98 PolarHBondContact O-N 2.85Å; M96-A98 PolarHBondContact O-N 2.7Å
99Y93.4Very high89.8Confident141 Ų14183.7 Ų83.755%0.55341%0.405SS*.EExtended strand (participates in β ladder)trans-69.4140.5175.5-70.1-92000111.9E70 G85 T86E70-Y99 WeakPolarHBondContact OE2-CE1 3.39Å; G85-Y99 WeakPolarHBondContact O-CA 3.34Å; T86-Y99 HydrophobicContact CG2-CD1 3.79Å; T86-Y99 HydrophobicContact CG2-CD2 4.34Å; T86-Y99 HydrophobicContact CG2-CE1 3.62Å; T86-Y99 HydrophobicContact CG2-CE2 4.15Å; T86-Y99 HydrophobicContact CG2-CG 4.17Å
100H92.9Very high90.1Very high29 Ų2979.2 Ų79.213%0.13438%0.384CS..EExtended strand (participates in β ladder)trans-149.7154.9171.7-164.466.4000110.6T43 L65 L67 G85T43-H100 VanDerWaalsContact CB-NE2 3.32Å; T43-H100 WeakPolarHBondContact CB-NE2 3.49Å; T43-H100 PolarHBondContact OG1-NE2 3.03Å; L65-H100 HydrophobicContact CD1-CB 4.35Å; L65-H100 WeakPolarHBondContact CD1-CD2 3.48Å; L67-H100 HydrophobicContact CD1-CB 3.98Å; L67-H100 WeakPolarHBondContact CD1-O 3.48Å; L67-H100 HydrophobicContact CD2-CB 4.16Å; G85-H100 PolarHBondContact N-O 3.27Å; G85-H100 PolarHBondContact O-N 3.43Å; G85-H100 VanDerWaalsContact O-O 3.08Å
101T93.8Very high90.5Very high66 Ų6671.7 Ų71.741%0.40535%0.35SS..EExtended strand (participates in β ladder)trans-116.8118.3174-53.10000108.3R82 V83R82-T101 HydrophobicContact CB-CG2 4.08Å; V83-T101 CarbonylContact O-C 3.59Å; V83-T101 WeakPolarHBondContact O-CA 3.15Å
102I93.6Very high90.8Very high1 Ų169.9 Ų69.91%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-89.1125.3173.3-49.8-165000107.8L39 A41 T43 L67 R82 V83 L104L39-I102 HydrophobicContact CD2-CD1 4.31Å; A41-I102 HydrophobicContact CB-CD1 4.04Å; A41-I102 HydrophobicContact CB-CG2 3.75Å; T43-I102 HydrophobicContact CG2-CB 3.83Å; T43-I102 HydrophobicContact CG2-CD1 4.08Å; T43-I102 HydrophobicContact CG2-CG1 3.62Å; T43-I102 HydrophobicContact CG2-CG2 3.61Å; L67-I102 HydrophobicContact CD1-CD1 3.68Å; L67-I102 HydrophobicContact CD1-CG1 3.4Å; L67-I102 HydrophobicContact CG-CD1 3.89Å; L67-I102 HydrophobicContact CG-CG1 4.17Å; R82-I102 CarbonylContact C-O 3.48Å; R82-I102 WeakPolarHBondContact CA-O 3.46Å; V83-I102 PolarHBondContact N-O 2.96Å; V83-I102 PolarHBondContact O-N 2.83Å; I102-L104 HydrophobicContact CG2-CD1 4.27Å
103E92.6Very high91.2Very high97 Ų9762.8 Ų62.845%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-94.6119163.4-56-172.5157.400107.3R82R82-E103 HydrophobicContact CG-CG 4.14Å; R82-E103 IonicContact CZ-OE1 3.85Å; R82-E103 IonicContact NE-OE1 2.75Å; R82-E103 PolarHBondContact NE-OE1 3.41Å; R82-E103 IonicContact NH1-OE1 3.76Å; R82-E103 PolarHBondContact NH1-OE1 2.81Å; R82-E103 IonicContact NH2-OE1 3.94Å; R82-E103 PolarHBondContact NH2-OE1 3.13Å
104L91Very high91.5Very high16 Ų1659 Ų598%0.08430%0.296CS..PPolyproline II helixtrans-73.4131.2177.6-80.180.2000109.3M26 T29 L39 L81 V83 I102 F110M26-L104 HydrophobicContact CE-CB 4.17Å; M26-L104 HydrophobicContact SD-CB 3.94Å; T29-L104 HydrophobicContact CG2-CD2 3.76Å; L39-L104 HydrophobicContact CD2-CD1 4.13Å; L81-L104 HydrophobicContact CD2-CD1 4.05Å; L81-L104 HydrophobicContact CD2-CD2 4.01Å; L81-L104 HydrophobicContact CD2-CG 4.49Å; L81-L104 HydrophobicContact CG-CD1 4.16Å; L81-L104 PolarHBondContact O-N 3.5Å; V83-L104 HydrophobicContact CG2-CD1 3.64Å; I102-L104 HydrophobicContact CG2-CD1 4.27Å; L104-F110 HydrophobicContact CD2-CB 4.48Å; L104-F110 HydrophobicContact CD2-CD1 3.72Å; L104-F110 HydrophobicContact CD2-CD2 4.29Å; L104-F110 HydrophobicContact CD2-CE1 3.94Å; L104-F110 HydrophobicContact CD2-CE2 4.48Å; L104-F110 HydrophobicContact CD2-CG 3.91Å; L104-F110 HydrophobicContact CD2-CZ 4.32Å
105E88.6Confident91.5Very high75 Ų7567 Ų6735%0.3533%0.33SS..PPolyproline II helixtrans-103.4146.1178.3-64.9-173.2-140.700110.7R108E105-R108 HydrophobicContact CB-CB 4.43Å; E105-R108 HydrophobicContact CB-CG 4.15Å; E105-R108 IonicContact OE1-CZ 3.01Å; E105-R108 IonicContact OE1-NH1 3.57Å; E105-R108 PolarHBondContact OE1-NH1 3.18Å; E105-R108 IonicContact OE1-NH2 3.23Å; E105-R108 PolarHBondContact OE1-NH2 2.97Å; E105-R108 IonicContact OE2-CZ 3.31Å; E105-R108 IonicContact OE2-NE 2.72Å; E105-R108 PolarHBondContact OE2-NE 2.91Å; E105-R108 IonicContact OE2-NH1 3.18Å; E105-R108 PolarHBondContact OE2-NH1 2.87Å; E105-R108 VanDerWaalsContact OE2-NH1 3.08Å; E105-R108 IonicContact OE2-NH2 3.46Å; E105-R108 PolarHBondContact OE2-NH2 2.88Å
106L89.7Confident91.3Very high82 Ų8261.4 Ų61.443%0.42931%0.312SS..THydrogen-bonded Turntrans-62.2148.1171.6-65.5167.8000110.7P20 E22 M26 R108P20-L106 CarbonylContact O-C 3.6Å; E22-L106 VanDerWaalsContact C-CD2 3.46Å; E22-L106 VanDerWaalsContact O-CD2 3.23Å; E22-L106 WeakPolarHBondContact O-CD2 3.43Å; M26-L106 HydrophobicContact CE-CD2 3.69Å; M26-L106 HydrophobicContact CE-CG 4.01Å; M26-L106 HydrophobicContact CG-CD2 4.38Å; L106-R108 PolarHBondContact O-N 2.84Å; L106-R108 VanDerWaalsContact O-N 3.17Å
107N90.7Very high91.1Very high112 Ų11256.2 Ų56.260%0.59929%0.286SS*.THydrogen-bonded Turntrans5821.2-178.9-60.6-57.1000114.6P20P20-N107 PolarHBondContact O-N 2.98Å
108R91.4Very high90.8Very high64 Ų6455.7 Ų55.724%0.24227%0.273CS..  trans-115.8136.5172.7-66.6-155.4179.2148.521.2111.6P20 R62 E105 L106P20-R108 WeakPolarHBondContact CD-O 3.19Å; R62-R108 VanDerWaalsContact CZ-NH2 3.35Å; E105-R108 HydrophobicContact CB-CB 4.43Å; E105-R108 HydrophobicContact CB-CG 4.15Å; E105-R108 IonicContact OE1-CZ 3.01Å; E105-R108 IonicContact OE1-NH1 3.57Å; E105-R108 PolarHBondContact OE1-NH1 3.18Å; E105-R108 IonicContact OE1-NH2 3.23Å; E105-R108 PolarHBondContact OE1-NH2 2.97Å; E105-R108 IonicContact OE2-CZ 3.31Å; E105-R108 IonicContact OE2-NE 2.72Å; E105-R108 PolarHBondContact OE2-NE 2.91Å; E105-R108 IonicContact OE2-NH1 3.18Å; E105-R108 PolarHBondContact OE2-NH1 2.87Å; E105-R108 VanDerWaalsContact OE2-NH1 3.08Å; E105-R108 IonicContact OE2-NH2 3.46Å; E105-R108 PolarHBondContact OE2-NH2 2.88Å; L106-R108 PolarHBondContact O-N 2.84Å; L106-R108 VanDerWaalsContact O-N 3.17Å
109K94.2Very high90.5Very high144 Ų14456.2 Ų56.263%0.62628%0.275SS*.  trans-69.9137.2176.466.3-177-179179.50111.1L4 T17 L18 V19L4-K109 HydrophobicContact CD1-CB 4.04Å; L4-K109 HydrophobicContact CD1-CD 4.37Å; T17-K109 HydrophobicContact CG2-CB 4.18Å; L18-K109 WeakPolarHBondContact O-CA 3.33Å; V19-K109 HydrophobicContact CG2-CB 3.84Å
110F94.6Very high90.1Very high4 Ų449.9 Ų49.92%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-127.4151.4163.767.9-87.3000108.5T17 L18 P20 T29 L39 R40 A41 L104 L112T17-F110 WeakPolarHBondContact CA-O 3.34Å; L18-F110 HydrophobicContact CB-CE1 3.91Å; L18-F110 HydrophobicContact CB-CE2 4.2Å; L18-F110 HydrophobicContact CB-CZ 3.69Å; L18-F110 HydrophobicContact CD1-CE2 4.08Å; L18-F110 HydrophobicContact CD1-CZ 3.89Å; L18-F110 HydrophobicContact CG-CZ 4.39Å; L18-F110 PolarHBondContact N-O 3.39Å; L18-F110 PolarHBondContact O-N 2.99Å; P20-F110 HydrophobicContact CG-CD1 4.27Å; P20-F110 HydrophobicContact CG-CE1 4Å; T29-F110 HydrophobicContact CG2-CE1 4.04Å; T29-F110 HydrophobicContact CG2-CE2 3.7Å; T29-F110 HydrophobicContact CG2-CZ 3.34Å; L39-F110 HydrophobicContact CD1-CB 4.2Å; L39-F110 HydrophobicContact CD1-CD2 3.65Å; L39-F110 HydrophobicContact CD1-CG 4.32Å; R40-F110 CarbonylContact O-C 3.56Å; R40-F110 WeakPolarHBondContact O-CA 3.01Å; A41-F110 HydrophobicContact CB-CB 4Å; L104-F110 HydrophobicContact CD2-CB 4.48Å; L104-F110 HydrophobicContact CD2-CD1 3.72Å; L104-F110 HydrophobicContact CD2-CD2 4.29Å; L104-F110 HydrophobicContact CD2-CE1 3.94Å; L104-F110 HydrophobicContact CD2-CE2 4.48Å; L104-F110 HydrophobicContact CD2-CG 3.91Å; L104-F110 HydrophobicContact CD2-CZ 4.32Å; F110-L112 HydrophobicContact CE2-CB 4.5Å
111T94.6Very high89.8Confident20 Ų2049 Ų4912%0.12325%0.248CC..EExtended strand (participates in β ladder)trans-115.8123.6176.9-55.80000108.3Q15 V16 T17 R40Q15-T111 HydrophobicContact CB-CG2 4.15Å; V16-T111 WeakPolarHBondContact O-CA 3.17Å; T17-T111 WeakPolarHBondContact OG1-CG2 3.46Å; T17-T111 PolarHBondContact OG1-OG1 3.22Å; R40-T111 PolarHBondContact N-O 2.93Å; R40-T111 PolarHBondContact O-N 2.92Å
112L94.1Very high89.5Confident0 Ų047.8 Ų47.80%024%0.239CC..EExtended strand (participates in β ladder)trans-103.1125.2176.3-175.162.2000108.4Q15 V16 L32 L33 D37 L39 F110 K114 W117Q15-L112 CarbonylContact C-O 3.32Å; Q15-L112 WeakPolarHBondContact CA-O 3.35Å; V16-L112 PolarHBondContact N-O 3.33Å; V16-L112 PolarHBondContact O-N 3.02Å; L32-L112 HydrophobicContact CB-CD2 4.11Å; L33-L112 HydrophobicContact CD2-CD1 3.49Å; L33-L112 VanDerWaalsContact CD2-CD1 3.49Å; L33-L112 HydrophobicContact CG-CD1 4.45Å; D37-L112 HydrophobicContact CB-CD1 4.4Å; L39-L112 HydrophobicContact CD1-CD1 4.41Å; F110-L112 HydrophobicContact CE2-CB 4.5Å; L112-K114 HydrophobicContact CD2-CD 4.42Å; L112-K114 HydrophobicContact CD2-CG 4.34Å; L112-K114 HydrophobicContact CG-CG 4.18Å; L112-W117 HydrophobicContact CD2-CH2 4.01Å; L112-W117 HydrophobicContact CG-CH2 4.35Å
113A92.4Very high89.2Confident16 Ų1649.8 Ų49.813%0.13225%0.249CC..EExtended strand (participates in β ladder)trans-110.5125.9167.900000110.1G14 Q15 S38G14-A113 WeakPolarHBondContact O-CA 3.42Å; Q15-A113 HydrophobicContact CG-CB 3.53Å; S38-A113 PolarHBondContact N-O 3.23Å; S38-A113 PolarHBondContact O-N 3.49Å; S38-A113 WeakPolarHBondContact OG-CB 3.31Å
114K89.9Confident88.9Confident7 Ų746.5 Ų46.53%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-117.1150.6176.6-63.6-176158.3-77.20110.2G14 L32 D37 L112 W117 V121G14-K114 PolarHBondContact N-O 3.19Å; G14-K114 PolarHBondContact O-N 2.78Å; G14-K114 VanDerWaalsContact O-N 3.09Å; L32-K114 WeakPolarHBondContact O-CE 3.31Å; L32-K114 PolarHBondContact O-NZ 3.13Å; D37-K114 IonicContact OD2-NZ 2.65Å; D37-K114 PolarHBondContact OD2-NZ 3.4Å; L112-K114 HydrophobicContact CD2-CD 4.42Å; L112-K114 HydrophobicContact CD2-CG 4.34Å; L112-K114 HydrophobicContact CG-CG 4.18Å; K114-W117 HydrophobicContact CB-CD2 4.3Å; K114-W117 HydrophobicContact CB-CG 4.46Å; K114-W117 HydrophobicContact CB-CZ2 4.18Å; K114-W117 HydrophobicContact CD-CD2 3.88Å; K114-W117 HydrophobicContact CD-CE3 3.88Å; K114-W117 HydrophobicContact CD-CH2 3.91Å; K114-W117 HydrophobicContact CD-CZ2 3.91Å; K114-W117 HydrophobicContact CD-CZ3 3.88Å; K114-W117 HydrophobicContact CG-CD2 4.42Å; K114-W117 HydrophobicContact CG-CH2 4.25Å; K114-W117 HydrophobicContact CG-CZ2 3.84Å; K114-V121 HydrophobicContact CD-CG1 4.48Å
115K85.1Confident88.8Confident172 Ų17246.1 Ų46.175%0.74823%0.231SC*.SBendtrans-74.3-37170.4-63.2-178.5-176.4176.70111.9N12 A13N12-K115 CarbonylContact C-O 3.54Å; A13-K115 WeakPolarHBondContact CA-O 3.43Å; A13-K115 PolarHBondContact N-O 3.48Å
116C83.1Confident88.7Confident58 Ų5848 Ų4839%0.39224%0.24SC..  trans-132123.8175.854.90000110.9N12N12-C116 CarbonylContact O-C 3.54Å; N12-C116 WeakPolarHBondContact O-CA 3.43Å
117W86.4Confident88.3Confident8 Ų847.1 Ų47.13%0.0323%0.233CC..  trans-96.5105.7169.6-74.495.4000109.8I8 N12 G14 V16 L112 K114 V121 L122 I125I8-W117 HydrophobicContact CD1-CB 4.33Å; I8-W117 HydrophobicContact CD1-CD2 4.24Å; I8-W117 HydrophobicContact CD1-CG 4.04Å; I8-W117 HydrophobicContact CG1-CG 4.44Å; I8-W117 HydrophobicContact CG2-CB 4.41Å; I8-W117 HydrophobicContact CG2-CG 4.43Å; N12-W117 VanDerWaalsContact O-CD1 3.28Å; N12-W117 PolarHBondContact O-N 3.02Å; G14-W117 VanDerWaalsContact C-NE1 3.33Å; G14-W117 PolarHBondContact O-NE1 2.96Å; V16-W117 HydrophobicContact CB-CH2 3.58Å; V16-W117 HydrophobicContact CB-CZ2 3.69Å; V16-W117 HydrophobicContact CB-CZ3 4.44Å; V16-W117 HydrophobicContact CG1-CH2 4.45Å; V16-W117 HydrophobicContact CG2-CD2 4.32Å; V16-W117 HydrophobicContact CG2-CE3 4.4Å; V16-W117 HydrophobicContact CG2-CH2 3.41Å; V16-W117 VanDerWaalsContact CG2-CH2 3.41Å; V16-W117 HydrophobicContact CG2-CZ2 3.29Å; V16-W117 HydrophobicContact CG2-CZ3 3.99Å; L112-W117 HydrophobicContact CD2-CH2 4.01Å; L112-W117 HydrophobicContact CG-CH2 4.35Å; K114-W117 HydrophobicContact CB-CD2 4.3Å; K114-W117 HydrophobicContact CB-CG 4.46Å; K114-W117 HydrophobicContact CB-CZ2 4.18Å; K114-W117 HydrophobicContact CD-CD2 3.88Å; K114-W117 HydrophobicContact CD-CE3 3.88Å; K114-W117 HydrophobicContact CD-CH2 3.91Å; K114-W117 HydrophobicContact CD-CZ2 3.91Å; K114-W117 HydrophobicContact CD-CZ3 3.88Å; K114-W117 HydrophobicContact CG-CD2 4.42Å; K114-W117 HydrophobicContact CG-CH2 4.25Å; K114-W117 HydrophobicContact CG-CZ2 3.84Å; W117-V121 HydrophobicContact CE3-CG1 3.73Å; W117-V121 HydrophobicContact CZ3-CG1 3.68Å; W117-L122 HydrophobicContact CE3-CD2 3.99Å; W117-I125 HydrophobicContact CE3-CD1 4.41Å; W117-I125 HydrophobicContact CH2-CD1 4.19Å; W117-I125 HydrophobicContact CZ3-CD1 3.53Å
118D83.8Confident87.9Confident32 Ų3242 Ų4217%0.17121%0.207CC..  trans-79.9155.3177.7-51.8-34.4000111.7V120 V121 L122 R326 V330D118-V120 VanDerWaalsContact C-N 3.29Å; D118-V120 PolarHBondContact O-N 3.46Å; D118-V121 HydrophobicContact CB-CG2 4.13Å; D118-V121 WeakPolarHBondContact O-CB 3.39Å; D118-V121 PolarHBondContact O-N 3.15Å; D118-V121 VanDerWaalsContact O-N 3.07Å; D118-L122 PolarHBondContact O-N 3.08Å; D118-L122 VanDerWaalsContact O-N 3.11Å; D118-R326 IonicContact OD2-CZ 3.45Å; D118-R326 IonicContact OD2-NE 3.55Å; D118-R326 IonicContact OD2-NH2 3.4Å; D118-R326 PolarHBondContact OD2-NH2 3.44Å; D118-V330 HydrophobicContact CB-CG1 4.26Å
119S83.8Confident87.5Confident37 Ų3740.7 Ų40.726%0.25921%0.207SC..Hα-helixtrans-51-47.5173.157.60000111.8V121 L122 D123 D334S119-V121 VanDerWaalsContact C-N 3.28Å; S119-V121 PolarHBondContact O-N 3.26Å; S119-L122 PolarHBondContact O-N 3.12Å; S119-D123 PolarHBondContact O-N 3.25Å; S119-D334 PolarHBondContact OG-OD1 3.48Å
120V85.6Confident86.6Confident8 Ų836.6 Ų36.65%0.04819%0.192CC..Hα-helixtrans-60.3-35.7179.5179.70000112.7D118 R124 V333 I345D118-V120 VanDerWaalsContact C-N 3.29Å; D118-V120 PolarHBondContact O-N 3.46Å; V120-R124 WeakPolarHBondContact O-CB 3.33Å; V120-R124 PolarHBondContact O-N 3.02Å; V120-V333 HydrophobicContact CG2-CB 4.35Å; V120-V333 HydrophobicContact CG2-CG1 3.81Å; V120-I345 HydrophobicContact CG1-CD1 3.65Å
121V87Confident85.4Confident11 Ų1140.5 Ų40.57%0.06722%0.218CC..Hα-helixtrans-73.6-40.3180175.80000110.1L32 K114 W117 D118 S119 R124 I125L32-V121 HydrophobicContact CD2-CB 4.5Å; L32-V121 HydrophobicContact CD2-CG1 3.54Å; K114-V121 HydrophobicContact CD-CG1 4.48Å; W117-V121 HydrophobicContact CE3-CG1 3.73Å; W117-V121 HydrophobicContact CZ3-CG1 3.68Å; D118-V121 HydrophobicContact CB-CG2 4.13Å; D118-V121 WeakPolarHBondContact O-CB 3.39Å; D118-V121 PolarHBondContact O-N 3.15Å; D118-V121 VanDerWaalsContact O-N 3.07Å; S119-V121 VanDerWaalsContact C-N 3.28Å; S119-V121 PolarHBondContact O-N 3.26Å; V121-R124 PolarHBondContact O-N 2.9Å; V121-I125 PolarHBondContact O-N 3.35Å; V121-I125 VanDerWaalsContact O-N 3.14Å
122L87.4Confident83.8Confident39 Ų3945.1 Ų45.120%0.20425%0.246CC..Hα-helixtrans-65.6-47.2176.9-66.5175.4000111.7I8 W117 D118 S119 R124 I125 E126I8-L122 HydrophobicContact CD1-CD2 3.67Å; W117-L122 HydrophobicContact CE3-CD2 3.99Å; D118-L122 PolarHBondContact O-N 3.08Å; D118-L122 VanDerWaalsContact O-N 3.11Å; S119-L122 PolarHBondContact O-N 3.12Å; L122-R124 PolarHBondContact O-N 3.42Å; L122-I125 WeakPolarHBondContact O-CA 3.49Å; L122-I125 WeakPolarHBondContact O-CB 3.45Å; L122-I125 PolarHBondContact O-N 3.42Å; L122-E126 PolarHBondContact O-N 3.36Å
123D86.9Confident82Confident43 Ų4348.7 Ų48.723%0.2326%0.262CS..Hα-helixtrans-58.3-35.9175.3-74.110.4000112S119 E126 Q127 R337S119-D123 PolarHBondContact O-N 3.25Å; D123-E126 PolarHBondContact O-N 3.15Å; D123-Q127 WeakPolarHBondContact O-CB 3.37Å; D123-Q127 VanDerWaalsContact O-CG 3.28Å; D123-Q127 WeakPolarHBondContact O-CG 3.32Å; D123-Q127 PolarHBondContact O-N 3.04Å; D123-R337 IonicContact OD2-CZ 3.13Å; D123-R337 IonicContact OD2-NH1 2.67Å; D123-R337 PolarHBondContact OD2-NH1 3.43Å; D123-R337 IonicContact OD2-NH2 3.76Å; D123-R337 PolarHBondContact OD2-NH2 3.21Å
124R87.2Confident80.5Confident28 Ų2851.8 Ų51.811%0.10627%0.271CS..Hα-helixtrans-67.4-36.4176.4-175170.5-64.6-122.9-0.4112.1N31 L32 V120 V121 L122 A128 D315N31-R124 VanDerWaalsContact CB-NH1 3.31Å; N31-R124 PolarHBondContact ND2-NH1 2.66Å; L32-R124 HydrophobicContact CD2-CB 4.27Å; L32-R124 HydrophobicContact CD2-CG 4.29Å; V120-R124 WeakPolarHBondContact O-CB 3.33Å; V120-R124 PolarHBondContact O-N 3.02Å; V121-R124 PolarHBondContact O-N 2.9Å; L122-R124 PolarHBondContact O-N 3.42Å; R124-A128 WeakPolarHBondContact O-CB 3.44Å; R124-A128 PolarHBondContact O-N 3.41Å; R124-D315 IonicContact NH1-OD2 3.57Å; R124-D315 PolarHBondContact NH1-OD2 3.4Å
125I88.5Confident79Confident9 Ų951.5 Ų51.55%0.04627%0.27CS..Hα-helixtrans-65.6-43.9173.2-69.4168000109.8V16 L18 L32 W117 V121 L122 A128 C129V16-I125 HydrophobicContact CG1-CD1 4.36Å; L18-I125 HydrophobicContact CD1-CD1 4.49Å; L18-I125 HydrophobicContact CD2-CG2 4.01Å; L32-I125 HydrophobicContact CD1-CD1 4.23Å; L32-I125 HydrophobicContact CD1-CG1 3.66Å; L32-I125 HydrophobicContact CD2-CD1 4.22Å; L32-I125 HydrophobicContact CD2-CG1 3.76Å; L32-I125 HydrophobicContact CG-CG1 4.38Å; W117-I125 HydrophobicContact CE3-CD1 4.41Å; W117-I125 HydrophobicContact CH2-CD1 4.19Å; W117-I125 HydrophobicContact CZ3-CD1 3.53Å; V121-I125 PolarHBondContact O-N 3.35Å; V121-I125 VanDerWaalsContact O-N 3.14Å; L122-I125 WeakPolarHBondContact O-CA 3.49Å; L122-I125 WeakPolarHBondContact O-CB 3.45Å; L122-I125 PolarHBondContact O-N 3.42Å; I125-A128 PolarHBondContact O-N 3.32Å; I125-C129 WeakPolarHBondContact O-CB 3.38Å; I125-C129 PolarHBondContact O-N 3.14Å
126E86.5Confident78.4Confident114 Ų11444.8 Ų44.853%0.53324%0.242SC..Hα-helixtrans-62-44.4178-69.3179.2-171.900111.5L122 D123 A128 C129 D130L122-E126 PolarHBondContact O-N 3.36Å; D123-E126 PolarHBondContact O-N 3.15Å; E126-A128 VanDerWaalsContact C-N 3.34Å; E126-A128 PolarHBondContact O-N 3.19Å; E126-C129 PolarHBondContact O-N 3.35Å; E126-C129 VanDerWaalsContact O-N 3.1Å; E126-D130 PolarHBondContact O-N 3.09Å
127Q80.8Confident78.3Confident63 Ų6342.1 Ų42.129%0.29422%0.224SC..Hα-helixtrans-59.6-41.4172.9-74175.529.800112.5D123 C129D123-Q127 WeakPolarHBondContact O-CB 3.37Å; D123-Q127 VanDerWaalsContact O-CG 3.28Å; D123-Q127 WeakPolarHBondContact O-CG 3.32Å; D123-Q127 PolarHBondContact O-N 3.04Å; Q127-C129 VanDerWaalsContact C-N 3.26Å; Q127-C129 PolarHBondContact O-N 3.02Å
128A83Confident78.4Confident6 Ų641.7 Ų41.75%0.0522%0.222CC..Hα-helixtrans-70.4-24177.300000112.6M1 H28 R124 I125 E126M1-A128 HydrophobicContact CB-CB 3.94Å; M1-A128 WeakPolarHBondContact CB-O 3.49Å; M1-A128 PolarHBondContact N-O 3.11Å; M1-A128 HydrophobicContact SD-CB 4.39Å; H28-A128 HydrophobicContact CB-CB 3.89Å; R124-A128 WeakPolarHBondContact O-CB 3.44Å; R124-A128 PolarHBondContact O-N 3.41Å; I125-A128 PolarHBondContact O-N 3.32Å; E126-A128 VanDerWaalsContact C-N 3.34Å; E126-A128 PolarHBondContact O-N 3.19Å
129C82.9Confident78.7Confident36 Ų3640.2 Ų40.224%0.24322%0.215CC..Hα-helixtrans-85.6-26.9178.4-810000113.6M1 I125 E126 Q127 P131M1-C129 WeakPolarHBondContact O-CA 3.19Å; M1-C129 PolarHBondContact O-SG 3.29Å; I125-C129 WeakPolarHBondContact O-CB 3.38Å; I125-C129 PolarHBondContact O-N 3.14Å; E126-C129 PolarHBondContact O-N 3.35Å; E126-C129 VanDerWaalsContact O-N 3.1Å; Q127-C129 VanDerWaalsContact C-N 3.26Å; Q127-C129 PolarHBondContact O-N 3.02Å; C129-P131 VanDerWaalsContact O-CD 3.28Å; C129-P131 WeakPolarHBondContact O-CD 3.48Å
130D76.1Confident79.1Confident58 Ų5838.5 Ų38.531%0.3120%0.203SC..  trans-66.4115.6-178.8-172.9-1000111.9E126 V132E126-D130 PolarHBondContact O-N 3.09Å; D130-V132 VanDerWaalsContact C-N 3.28Å; D130-V132 PolarHBondContact O-N 2.95Å; D130-V132 VanDerWaalsContact OD1-CB 3.31Å; D130-V132 WeakPolarHBondContact OD1-CB 3.4Å; D130-V132 WeakPolarHBondContact OD1-CG2 3.21Å; D130-V132 PolarHBondContact OD1-N 3.07Å
131P67.9Low79.4Confident86 Ų8638.1 Ų38.156%0.55820%0.2SC*.SBendtrans-73.2-18.8177.431.7-35.5000113.5C129 Q133 R134C129-P131 VanDerWaalsContact O-CD 3.28Å; C129-P131 WeakPolarHBondContact O-CD 3.48Å; P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 2.86Å; P131-R134 WeakPolarHBondContact O-CB 3.42Å; P131-R134 WeakPolarHBondContact O-CG 3.49Å; P131-R134 PolarHBondContact O-N 3.11Å
132V60.5Low79.7Confident117 Ų11737.6 Ų37.671%0.70920%0.197SC*.THydrogen-bonded Turntrans-69.6-30.6-175.7-178.80000111.3D130 R134D130-V132 VanDerWaalsContact C-N 3.28Å; D130-V132 PolarHBondContact O-N 2.95Å; D130-V132 VanDerWaalsContact OD1-CB 3.31Å; D130-V132 WeakPolarHBondContact OD1-CB 3.4Å; D130-V132 WeakPolarHBondContact OD1-CG2 3.21Å; D130-V132 PolarHBondContact OD1-N 3.07Å; V132-R134 PolarHBondContact O-N 2.98Å
133Q57.6Low79.9Confident74 Ų7439.2 Ų39.235%0.34620%0.204SC..THydrogen-bonded Turntrans-78-1.7-179.9-61.7-167.619.900114P131 A135 P154P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 2.86Å; Q133-A135 PolarHBondContact O-N 2.89Å; Q133-P154 WeakPolarHBondContact O-CG 3.25Å
134R61Low79.9Confident81 Ų8142.4 Ų42.431%0.30622%0.217SC..  trans-76.359-175.4-61.2-176.8-170.7-165.78.9113.7E21 E22 P131 V132E21-R134 IonicContact OE2-NH1 2.61Å; E21-R134 IonicContact OE2-NH2 3.36Å; E21-R134 PolarHBondContact OE2-NH2 2.9Å; E22-R134 IonicContact OE1-CZ 2.79Å; E22-R134 IonicContact OE1-NE 3.64Å; E22-R134 IonicContact OE1-NH1 3.5Å; E22-R134 PolarHBondContact OE1-NH1 2.86Å; P131-R134 WeakPolarHBondContact O-CB 3.42Å; P131-R134 WeakPolarHBondContact O-CG 3.49Å; P131-R134 PolarHBondContact O-N 3.11Å; V132-R134 PolarHBondContact O-N 2.98Å
135A58.1Low79.9Confident2 Ų241.5 Ų41.52%0.01722%0.216CC..  trans-107.9101.4-177.300000112Q133 K203Q133-A135 PolarHBondContact O-N 2.89Å; A135-K203 HydrophobicContact CB-CD 3.82Å; A135-K203 VanDerWaalsContact CB-CE 3.49Å; A135-K203 VanDerWaalsContact CB-NZ 3.33Å
136D71.4Confident80.1Confident30 Ų3042 Ų4216%0.1622%0.219CC..EExtended strand (participates in β ladder)trans-87.6130.5174.5-75.7-15.3000111.8L151 V201 V202 K203D136-L151 HydrophobicContact CB-CD1 4.25Å; D136-V201 HydrophobicContact CB-CG1 4.26Å; D136-V201 WeakPolarHBondContact OD2-CG1 3.47Å; D136-V202 HydrophobicContact CB-CG2 4.19Å; D136-V202 WeakPolarHBondContact O-CA 3.43Å; D136-K203 PolarHBondContact O-N 3.13Å
137V82.4Confident80.4Confident2 Ų236.5 Ų36.51%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-117123.7176.5-175.40000107.5V152 L206 L266 T269V137-V152 HydrophobicContact CB-CB 4.31Å; V137-V152 PolarHBondContact N-O 2.85Å; V137-V152 WeakPolarHBondContact O-CA 3.35Å; V137-V152 WeakPolarHBondContact O-CB 3.47Å; V137-V152 PolarHBondContact O-N 2.82Å; V137-L206 HydrophobicContact CG1-CD1 3.84Å; V137-L206 HydrophobicContact CG1-CG 4.03Å; V137-L266 HydrophobicContact CB-CD2 4.25Å; V137-L266 HydrophobicContact CG1-CD1 4.48Å; V137-L266 HydrophobicContact CG1-CD2 3.98Å; V137-L266 HydrophobicContact CG2-CD2 3.24Å; V137-T269 HydrophobicContact CG2-CG2 4.28Å
138A88.4Confident81Confident0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-89.8139.6170.900000109.3L151 I197 V202 C204 I205 L206A138-L151 HydrophobicContact CB-CD1 4.41Å; A138-I197 HydrophobicContact CB-CD1 3.67Å; A138-I197 HydrophobicContact CB-CG1 4.09Å; A138-I197 HydrophobicContact CB-CG2 4.15Å; A138-V202 HydrophobicContact CB-CG1 3.9Å; A138-V202 HydrophobicContact CB-CG2 4.39Å; A138-C204 PolarHBondContact N-O 3.29Å; A138-I205 HydrophobicContact CB-CG1 4.19Å; A138-I205 HydrophobicContact CB-CG2 4.35Å; A138-I205 CarbonylContact O-C 3.58Å; A138-I205 WeakPolarHBondContact O-CA 3.12Å; A138-L206 PolarHBondContact O-N 2.86Å
139A89.1Confident81.3Confident1 Ų133.7 Ų33.71%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-127.8130.1174.200000109.7V150 V152 L206 L253A139-V150 PolarHBondContact N-O 3.02Å; A139-V150 PolarHBondContact O-N 3.12Å; A139-V150 VanDerWaalsContact O-O 3.09Å; A139-V152 HydrophobicContact CB-CG2 4.47Å; A139-L206 CarbonylContact C-O 3.55Å; A139-L206 WeakPolarHBondContact CA-O 3.39Å; A139-L206 HydrophobicContact CB-CB 4.29Å; A139-L253 HydrophobicContact CB-CD1 3.76Å; A139-L253 HydrophobicContact CB-CG 4.39Å
140V92.2Very high81.6Confident1 Ų132.1 Ų32.11%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-116.9101.5176.6-1740000106.6M142 N148 V149 V189 I193 I205 L206 A208V140-M142 HydrophobicContact CG1-CG 3.76Å; V140-M142 HydrophobicContact CG1-SD 3.86Å; V140-N148 WeakPolarHBondContact CA-O 3.28Å; V140-V149 HydrophobicContact CG1-CG2 4.39Å; V140-V149 HydrophobicContact CG2-CG1 4.48Å; V140-V189 HydrophobicContact CG1-CG1 3.95Å; V140-I193 HydrophobicContact CG1-CD1 4.47Å; V140-I193 HydrophobicContact CG2-CD1 3.92Å; V140-I193 HydrophobicContact CG2-CG1 4Å; V140-I205 HydrophobicContact CG2-CG2 4.37Å; V140-L206 PolarHBondContact N-O 2.71Å; V140-A208 PolarHBondContact O-N 2.84Å
141V92.7Very high82.1Confident0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-98.1123.9179.8-168.20000108A147 N148 S247 I256V141-A147 CarbonylContact O-C 3.53Å; V141-A147 WeakPolarHBondContact O-CA 3.46Å; V141-N148 PolarHBondContact N-O 3.04Å; V141-N148 PolarHBondContact O-N 3.16Å; V141-S247 WeakPolarHBondContact CG1-O 3.41Å; V141-I256 HydrophobicContact CG1-CD1 4.21Å; V141-I256 HydrophobicContact CG2-CD1 3.75Å
142M93.1Very high82.9Confident0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-131.2152.8-169.6-56.6-177.7-64.100111.9V140 L146 A147 V189 V207 A208 S209 P210 K214 F217V140-M142 HydrophobicContact CG1-CG 3.76Å; V140-M142 HydrophobicContact CG1-SD 3.86Å; M142-L146 CarbonylContact C-O 3.55Å; M142-L146 WeakPolarHBondContact CA-O 3.49Å; M142-A147 HydrophobicContact CB-CB 4.47Å; M142-A147 HydrophobicContact CG-CB 3.89Å; M142-V189 HydrophobicContact SD-CG1 4.09Å; M142-V207 HydrophobicContact CE-CG1 3.33Å; M142-A208 PolarHBondContact N-O 3.21Å; M142-S209 VanDerWaalsContact O-CA 3.3Å; M142-S209 WeakPolarHBondContact O-CA 3.42Å; M142-S209 WeakPolarHBondContact O-CB 3.44Å; M142-P210 WeakPolarHBondContact O-CD 3.39Å; M142-K214 HydrophobicContact CE-CB 4.5Å; M142-F217 HydrophobicContact CE-CB 3.89Å; M142-F217 HydrophobicContact CE-CD1 3.58Å; M142-F217 HydrophobicContact CE-CE1 4.3Å; M142-F217 HydrophobicContact CE-CG 3.82Å; M142-F217 HydrophobicContact SD-CB 4.37Å; M142-F217 HydrophobicContact SD-CD1 3.81Å; M142-F217 HydrophobicContact SD-CD2 4.27Å; M142-F217 HydrophobicContact SD-CE1 4.11Å; M142-F217 HydrophobicContact SD-CG 3.87Å; M142-F217 HydrophobicContact SD-CZ 4.46Å
143Q91.7Very high83.8Confident73 Ų7320.9 Ų20.934%0.34110%0.1SC..EExtended strand (participates in β ladder)trans-145.8163.8167178.3171.2-4.700107.2G145 L146 F185 P210Q143-G145 PolarHBondContact O-N 3.31Å; Q143-L146 PolarHBondContact N-O 3.46Å; Q143-L146 PolarHBondContact O-N 3.41Å; Q143-F185 WeakPolarHBondContact O-CZ 3.44Å; Q143-P210 HydrophobicContact CB-CG 4.41Å; Q143-P210 HydrophobicContact CG-CG 4.31Å
144E87.7Confident84.6Confident109 Ų10917.7 Ų17.751%0.5099%0.086SC..THydrogen-bonded Turntrans-55.5107.5172.5-65.9-173.2176.500110.5I167 V213E144-I167 HydrophobicContact CB-CD1 4.33Å; E144-V213 HydrophobicContact CG-CG2 3.97Å
145G86.9Confident85.2Confident9 Ų914.1 Ų14.19%0.0937%0.073CC..THydrogen-bonded Turntrans91.6-1.8177.600000116Q143 E164 V165 I167Q143-G145 PolarHBondContact O-N 3.31Å; G145-E164 CarbonylContact O-C 3.57Å; G145-E164 WeakPolarHBondContact O-CA 3.49Å; G145-V165 CarbonylContact C-O 3.6Å; G145-V165 WeakPolarHBondContact CA-O 3.47Å; G145-V165 PolarHBondContact O-N 3.01Å; G145-I167 VanDerWaalsContact N-CD1 3.27Å
146L91.9Very high86.2Confident19 Ų1914.1 Ų14.110%0.0997%0.073CC..EExtended strand (participates in β ladder)trans-138.5127.6174.5-177.871.8000110.5M142 Q143 K162 V163 E164 H249M142-L146 CarbonylContact C-O 3.55Å; M142-L146 WeakPolarHBondContact CA-O 3.49Å; Q143-L146 PolarHBondContact N-O 3.46Å; Q143-L146 PolarHBondContact O-N 3.41Å; L146-K162 HydrophobicContact CD1-CD 4.48Å; L146-K162 VanDerWaalsContact CD1-CE 3.49Å; L146-K162 HydrophobicContact CD1-CG 4.15Å; L146-V163 CarbonylContact C-O 3.55Å; L146-V163 WeakPolarHBondContact CA-O 3.41Å; L146-E164 HydrophobicContact CD1-CB 4.3Å; L146-E164 HydrophobicContact CD1-CG 4.38Å; L146-H249 VanDerWaalsContact CD2-CE1 3.5Å; L146-H249 WeakPolarHBondContact CD2-CE1 3.46Å; L146-H249 WeakPolarHBondContact CD2-ND1 3.21Å
147A93.1Very high86.8Confident0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-133.8137.6169.300000110.8V141 M142 V163 F185 V189V141-A147 CarbonylContact O-C 3.53Å; V141-A147 WeakPolarHBondContact O-CA 3.46Å; M142-A147 HydrophobicContact CB-CB 4.47Å; M142-A147 HydrophobicContact CG-CB 3.89Å; A147-V163 HydrophobicContact CB-CB 4.31Å; A147-V163 PolarHBondContact N-O 3.02Å; A147-V163 PolarHBondContact O-N 3.26Å; A147-F185 HydrophobicContact CB-CE2 4.03Å; A147-F185 HydrophobicContact CB-CZ 3.69Å; A147-V189 HydrophobicContact CB-CG1 4.33Å; A147-V189 HydrophobicContact CB-CG2 3.43Å; A147-V189 VanDerWaalsContact CB-CG2 3.43Å
148N92.4Very high86.8Confident10 Ų1013.6 Ų13.65%0.0537%0.071CC..EExtended strand (participates in β ladder)trans-118.6115.1176.2-67.8-62.5000108.5V140 V141 V150 L159 G248V140-N148 WeakPolarHBondContact CA-O 3.28Å; V141-N148 PolarHBondContact N-O 3.04Å; V141-N148 PolarHBondContact O-N 3.16Å; N148-V150 HydrophobicContact CB-CG2 4.28Å; N148-L159 HydrophobicContact CB-CD1 3.85Å; N148-G248 PolarHBondContact ND2-O 3.45Å
149V90.6Very high86.6Confident0 Ų017.3 Ų17.30%09%0.09CC..EExtended strand (participates in β ladder)trans-93.1113.4172.2-176.40000107.6V140 R160 A161 A192 I193 I197V140-V149 HydrophobicContact CG1-CG2 4.39Å; V140-V149 HydrophobicContact CG2-CG1 4.48Å; V149-R160 PolarHBondContact O-N 2.85Å; V149-A161 HydrophobicContact CB-CB 4.22Å; V149-A161 HydrophobicContact CG2-CB 4.44Å; V149-A161 PolarHBondContact N-O 2.91Å; V149-A161 PolarHBondContact O-N 3.3Å; V149-A192 HydrophobicContact CG2-CB 4.03Å; V149-I193 HydrophobicContact CG2-CG1 4.4Å; V149-I197 HydrophobicContact CG1-CD1 3.7Å; V149-I197 HydrophobicContact CG1-CG1 4.18Å
150V89.1Confident86.5Confident2 Ų221.5 Ų21.51%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-121.1138.9-173.5-175.90000109.1A139 N148 V152 T157 L158 L159 L253A139-V150 PolarHBondContact N-O 3.02Å; A139-V150 PolarHBondContact O-N 3.12Å; A139-V150 VanDerWaalsContact O-O 3.09Å; N148-V150 HydrophobicContact CB-CG2 4.28Å; V150-V152 HydrophobicContact CG1-CG2 4.4Å; V150-T157 HydrophobicContact CG1-CG2 3.26Å; V150-L158 CarbonylContact C-O 3.56Å; V150-L158 WeakPolarHBondContact CA-O 3.19Å; V150-L158 WeakPolarHBondContact CG1-O 3.44Å; V150-L159 HydrophobicContact CG2-CD1 3.84Å; V150-L253 HydrophobicContact CB-CD1 3.85Å; V150-L253 HydrophobicContact CG1-CD1 3.62Å; V150-L253 HydrophobicContact CG2-CD1 4.19Å
151L86.6Confident86.3Confident19 Ų1922.1 Ų22.110%0.09911%0.111CC..EExtended strand (participates in β ladder)trans-106.1119.4168.5-171.467.7000108D136 A138 T153 L158 R160 V202D136-L151 HydrophobicContact CB-CD1 4.25Å; A138-L151 HydrophobicContact CB-CD1 4.41Å; L151-T153 HydrophobicContact CD2-CG2 4.31Å; L151-T153 HydrophobicContact CG-CG2 4.32Å; L151-L158 PolarHBondContact N-O 2.88Å; L151-L158 PolarHBondContact O-N 3.03Å; L151-R160 HydrophobicContact CB-CG 4.32Å; L151-V202 HydrophobicContact CD1-CG2 3.98Å
152V84.1Confident86.3Confident1 Ų128 Ų281%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-96.8105175-1740000106.8V137 A139 V150 T157 L253 A271V137-V152 HydrophobicContact CB-CB 4.31Å; V137-V152 PolarHBondContact N-O 2.85Å; V137-V152 WeakPolarHBondContact O-CA 3.35Å; V137-V152 WeakPolarHBondContact O-CB 3.47Å; V137-V152 PolarHBondContact O-N 2.82Å; A139-V152 HydrophobicContact CB-CG2 4.47Å; V150-V152 HydrophobicContact CG1-CG2 4.4Å; V152-T157 HydrophobicContact CG2-CG2 4.38Å; V152-L253 HydrophobicContact CG2-CD1 3.93Å; V152-L253 HydrophobicContact CG2-CD2 3.91Å; V152-L253 HydrophobicContact CG2-CG 4.43Å; V152-A271 HydrophobicContact CG1-CB 3.96Å
153T79.8Confident86.3Confident5 Ų529 Ų293%0.03114%0.143CC..  trans-90.8165.1168.382.90000108.7E24 L151 A155 M156E24-T153 VanDerWaalsContact OE1-CB 3.31Å; E24-T153 WeakPolarHBondContact OE1-CB 3.26Å; E24-T153 PolarHBondContact OE1-OG1 3.1Å; L151-T153 HydrophobicContact CD2-CG2 4.31Å; L151-T153 HydrophobicContact CG-CG2 4.32Å; T153-A155 PolarHBondContact O-N 2.86Å; T153-A155 PolarHBondContact OG1-N 2.85Å; T153-M156 HydrophobicContact CG2-CE 4.37Å; T153-M156 HydrophobicContact CG2-CG 4.34Å; T153-M156 PolarHBondContact N-O 2.83Å; T153-M156 WeakPolarHBondContact OG1-CG 3.32Å; T153-M156 PolarHBondContact OG1-N 2.82Å; T153-M156 PolarHBondContact OG1-O 3.01Å
154P75.2Confident86.3Confident8 Ų831.9 Ų31.95%0.05216%0.156CC..SBendtrans-53.6-33.2177-27.334.1000114.7E24 Q133 K270E24-P154 WeakPolarHBondContact OE1-CD 3.37Å; Q133-P154 WeakPolarHBondContact O-CG 3.25Å; P154-K270 HydrophobicContact CB-CB 4.32Å; P154-K270 HydrophobicContact CB-CD 4.43Å
155A72.5Confident86.4Confident5 Ų528.9 Ų28.94%0.04115%0.145CC..SBendtrans-109.5-15.9-176.300000114.5E24 T153 S347E24-A155 HydrophobicContact CG-CB 4.12Å; E24-A155 WeakPolarHBondContact OE1-CA 3.43Å; E24-A155 WeakPolarHBondContact OE1-CB 3.33Å; E24-A155 PolarHBondContact OE1-N 2.81Å; T153-A155 PolarHBondContact O-N 2.86Å; T153-A155 PolarHBondContact OG1-N 2.85Å; A155-S347 WeakPolarHBondContact O-CB 3.42Å; A155-S347 PolarHBondContact O-OG 3.12Å
156M79.1Confident86.5Confident3 Ų335 Ų352%0.01518%0.181CC..  trans-149.6151.9-17856.5177.5173.200113.7E24 T153 L158 L349E24-M156 HydrophobicContact CB-CE 4.22Å; T153-M156 HydrophobicContact CG2-CE 4.37Å; T153-M156 HydrophobicContact CG2-CG 4.34Å; T153-M156 PolarHBondContact N-O 2.83Å; T153-M156 WeakPolarHBondContact OG1-CG 3.32Å; T153-M156 PolarHBondContact OG1-N 2.82Å; T153-M156 PolarHBondContact OG1-O 3.01Å; M156-L158 HydrophobicContact CE-CD1 3.62Å; M156-L158 HydrophobicContact CE-CD2 4.47Å; M156-L158 HydrophobicContact CE-CG 4.17Å; M156-L158 HydrophobicContact CG-CD1 4.46Å; M156-L158 HydrophobicContact CG-CD2 4.25Å; M156-L158 HydrophobicContact CG-CG 4.03Å; M156-L158 HydrophobicContact SD-CD1 3.88Å; M156-L158 HydrophobicContact SD-CD2 3.62Å; M156-L158 HydrophobicContact SD-CG 3.8Å; M156-L349 HydrophobicContact CB-CB 4.2Å
157T83.3Confident86.3Confident9 Ų935.4 Ų35.46%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-105.5106.2172-52.90000109.5V150 V152 L253 L349 H350 V351V150-T157 HydrophobicContact CG1-CG2 3.26Å; V152-T157 HydrophobicContact CG2-CG2 4.38Å; T157-L253 HydrophobicContact CG2-CD1 4.21Å; T157-L253 HydrophobicContact CG2-CD2 4.45Å; T157-L349 PolarHBondContact N-O 3.39Å; T157-H350 PolarHBondContact OG1-CD2 3.41Å; T157-H350 PolarHBondContact OG1-NE2 2.83Å; T157-V351 HydrophobicContact CG2-CG2 4.08Å
158L82.8Confident85.9Confident12 Ų1238 Ų386%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-99.2117.6-176.6-65.9-177.6000112.1S76 V150 L151 M156 R160S76-L158 VanDerWaalsContact O-CD2 3.25Å; S76-L158 WeakPolarHBondContact O-CD2 3.19Å; V150-L158 CarbonylContact C-O 3.56Å; V150-L158 WeakPolarHBondContact CA-O 3.19Å; V150-L158 WeakPolarHBondContact CG1-O 3.44Å; L151-L158 PolarHBondContact N-O 2.88Å; L151-L158 PolarHBondContact O-N 3.03Å; M156-L158 HydrophobicContact CE-CD1 3.62Å; M156-L158 HydrophobicContact CE-CD2 4.47Å; M156-L158 HydrophobicContact CE-CG 4.17Å; M156-L158 HydrophobicContact CG-CD1 4.46Å; M156-L158 HydrophobicContact CG-CD2 4.25Å; M156-L158 HydrophobicContact CG-CG 4.03Å; M156-L158 HydrophobicContact SD-CD1 3.88Å; M156-L158 HydrophobicContact SD-CD2 3.62Å; M156-L158 HydrophobicContact SD-CG 3.8Å; L158-R160 VanDerWaalsContact CD1-NH2 3.33Å; L158-R160 PolarHBondContact O-N 2.91Å
159L85.3Confident85.5Confident78 Ų7848.5 Ų48.541%0.40824%0.238SC..EExtended strand (participates in β ladder)trans-76.2110.4167.8-178.267.8000109.1N148 V150N148-L159 HydrophobicContact CB-CD1 3.85Å; V150-L159 HydrophobicContact CG2-CD1 3.84Å
160R86.7Confident85.1Confident89 Ų8955.3 Ų55.334%0.33627%0.268SS..EExtended strand (participates in β ladder)trans-90.1-39.3-178.7-67.7-61.8-169.8-174.10.3112.7V149 L151 L158 H196V149-R160 PolarHBondContact O-N 2.85Å; L151-R160 HydrophobicContact CB-CG 4.32Å; L158-R160 VanDerWaalsContact CD1-NH2 3.33Å; L158-R160 PolarHBondContact O-N 2.91Å; R160-H196 HydrophobicContact CB-CB 3.8Å; R160-H196 HydrophobicContact CG-CB 4.33Å
161A88.6Confident84.7Confident14 Ų1465 Ų6512%0.11630%0.304CS..EExtended strand (participates in β ladder)trans-145.6139.1177.300000111.3V149 A192V149-A161 HydrophobicContact CB-CB 4.22Å; V149-A161 HydrophobicContact CG2-CB 4.44Å; V149-A161 PolarHBondContact N-O 2.91Å; V149-A161 PolarHBondContact O-N 3.3Å; A161-A192 HydrophobicContact CB-CB 3.98Å
162K91.6Very high83.9Confident123 Ų12375 Ų7554%0.53535%0.347SS..EExtended strand (participates in β ladder)trans-114.2119167-178.3-176.2177-150.60107.7L146 E164L146-K162 HydrophobicContact CD1-CD 4.48Å; L146-K162 VanDerWaalsContact CD1-CE 3.49Å; L146-K162 HydrophobicContact CD1-CG 4.15Å; K162-E164 VanDerWaalsContact CE-OE2 3.28Å; K162-E164 WeakPolarHBondContact CE-OE2 3.36Å; K162-E164 IonicContact NZ-OE2 3.7Å; K162-E164 PolarHBondContact NZ-OE2 2.71Å
163V92.5Very high83.3Confident22 Ų2278.9 Ų78.913%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-108.2114.9176.6-178.70000107.5L146 A147 V165 F185 A188 V189 A192L146-V163 CarbonylContact C-O 3.55Å; L146-V163 WeakPolarHBondContact CA-O 3.41Å; A147-V163 HydrophobicContact CB-CB 4.31Å; A147-V163 PolarHBondContact N-O 3.02Å; A147-V163 PolarHBondContact O-N 3.26Å; V163-V165 HydrophobicContact CG1-CG2 4.19Å; V163-F185 HydrophobicContact CG1-CD2 4.14Å; V163-F185 HydrophobicContact CG1-CE2 4.13Å; V163-A188 HydrophobicContact CG1-CB 3.87Å; V163-V189 HydrophobicContact CB-CG2 4.34Å; V163-V189 HydrophobicContact CG1-CG2 4.29Å; V163-V189 HydrophobicContact CG2-CG2 4.48Å; V163-A192 HydrophobicContact CG2-CB 4.23Å
164E91.7Very high82.9Confident133 Ų13381 Ų8162%0.62140%0.402SS*.EExtended strand (participates in β ladder)trans-122.1120.4179.3-170.4169.1174.900108.9G145 L146 K162G145-E164 CarbonylContact O-C 3.57Å; G145-E164 WeakPolarHBondContact O-CA 3.49Å; L146-E164 HydrophobicContact CD1-CB 4.3Å; L146-E164 HydrophobicContact CD1-CG 4.38Å; K162-E164 VanDerWaalsContact CE-OE2 3.28Å; K162-E164 WeakPolarHBondContact CE-OE2 3.36Å; K162-E164 IonicContact NZ-OE2 3.7Å; K162-E164 PolarHBondContact NZ-OE2 2.71Å
165V91.1Very high83.2Confident45 Ų4583.6 Ų83.627%0.27342%0.42SS..  trans-135126-177.2178.60000108.9G145 V163 I167 F185G145-V165 CarbonylContact C-O 3.6Å; G145-V165 WeakPolarHBondContact CA-O 3.47Å; G145-V165 PolarHBondContact O-N 3.01Å; V163-V165 HydrophobicContact CG1-CG2 4.19Å; V165-I167 HydrophobicContact CG1-CG1 4.49Å; V165-I167 PolarHBondContact O-N 2.86Å; V165-F185 HydrophobicContact CB-CB 4.48Å; V165-F185 HydrophobicContact CB-CD2 3.93Å; V165-F185 HydrophobicContact CG2-CD2 3.85Å
166T88.1Confident83.7Confident138 Ų13886.3 Ų86.385%0.84744%0.439SS*.  trans-73103176.1-50.50000110.2
167I87.4Confident83.9Confident27 Ų2792.4 Ų92.414%0.13847%0.467CS..PPolyproline II helixtrans-88119.7177.5-57.9-173.3000109.5E144 G145 V165 H178 A181 L182 F185E144-I167 HydrophobicContact CB-CD1 4.33Å; G145-I167 VanDerWaalsContact N-CD1 3.27Å; V165-I167 HydrophobicContact CG1-CG1 4.49Å; V165-I167 PolarHBondContact O-N 2.86Å; I167-H178 WeakPolarHBondContact CG2-ND1 3.21Å; I167-A181 HydrophobicContact CG2-CB 4.46Å; I167-L182 HydrophobicContact CD1-CD2 3.58Å; I167-L182 HydrophobicContact CD1-CG 4.17Å; I167-L182 HydrophobicContact CG2-CG 4.48Å; I167-F185 HydrophobicContact CD1-CB 4.41Å; I167-F185 HydrophobicContact CD1-CD1 4.44Å; I167-F185 HydrophobicContact CD1-CG 4.37Å
168P85.9Confident84Confident54 Ų5492.5 Ų92.535%0.35147%0.467SS..PPolyproline II helixtrans-66.8139.7178.526.8-32.7000110.7H178 A181P168-H178 PolarHBondContact O-ND1 2.67Å; P168-A181 HydrophobicContact CG-CB 4.44Å
169R83.6Confident84.2Confident232 Ų23298 Ų9888%0.87549%0.492SS*.PPolyproline II helixtrans-65.3146.9175.3-68.3-174.6179.1-177.30111R171R169-R171 PolarHBondContact O-N 2.74Å
170K83.1Confident84.4Confident142 Ų142100.8 Ų100.862%0.61750%0.501SS*.PPolyproline II helixtrans-59.9122.4174.8-62.9-178.4-177.1177.50109.7H178K170-H178 WeakPolarHBondContact CE-CD2 3.31Å; K170-H178 WeakPolarHBondContact CE-NE2 3.39Å; K170-H178 HydrophobicContact CG-CB 4.39Å
171R78.7Confident84.5Confident207 Ų20797.3 Ų97.378%0.78149%0.491SS*.BIsolated β-bridgetrans-106.3146.9172.6-66.9-176.6-176.1174.11.3109.6R169 G173 S174R169-R171 PolarHBondContact O-N 2.74Å; R171-G173 PolarHBondContact O-N 3.36Å; R171-S174 PolarHBondContact O-N 3.14Å
172K70.4Confident84.6Confident227 Ų22797.3 Ų97.399%0.98749%0.49SS*.THydrogen-bonded Turntrans-64106177-154.2176.2-175.2-178.90108.7
173G71.9Confident84.5Confident84 Ų8496.2 Ų96.287%0.86649%0.486SS*.THydrogen-bonded Turntrans119-15.2178.300000116.3R171R171-G173 PolarHBondContact O-N 3.36Å
174S71.9Confident84.4Confident48 Ų48104 Ų10434%0.33651%0.513SS..BIsolated β-bridgetrans-148.494.6176.6-171.20000111.9R171R171-S174 PolarHBondContact O-N 3.14Å
175C80.4Confident84.5Confident63 Ų6397.7 Ų97.743%0.42648%0.484SS..  trans-89.6-15.7173.3-62.30000112.6Q177 H178 E179C175-Q177 VanDerWaalsContact C-N 3.34Å; C175-Q177 PolarHBondContact O-N 2.81Å; C175-H178 WeakPolarHBondContact O-CB 3.4Å; C175-H178 PolarHBondContact O-N 2.78Å; C175-E179 PolarHBondContact O-N 2.88Å; C175-E179 VanDerWaalsContact O-N 3.14Å
176S82.7Confident84.6Confident62 Ų6296.1 Ų96.143%0.43447%0.473SS..Hα-helixtrans-66.3-31.9-172.660.90000113.6K180S176-K180 WeakPolarHBondContact O-CB 3.32Å; S176-K180 WeakPolarHBondContact O-CG 2.83Å; S176-K180 PolarHBondContact O-N 3.19Å; S176-K180 VanDerWaalsContact O-N 3.08Å
177Q84.4Confident84.8Confident132 Ų13293.5 Ų93.562%0.61745%0.451SS*.Hα-helixtrans-69.2-36.5176.3-67.5-1781.400112C175 A181C175-Q177 VanDerWaalsContact C-N 3.34Å; C175-Q177 PolarHBondContact O-N 2.81Å; Q177-A181 WeakPolarHBondContact O-CB 3.47Å; Q177-A181 PolarHBondContact O-N 3.05Å; Q177-A181 VanDerWaalsContact O-N 3.08Å
178H86Confident85.1Confident10 Ų1093.8 Ų93.85%0.04646%0.458CS..Hα-helixtrans-69.3-44.9177.9176.585.2000111I167 P168 K170 C175 A181 L182I167-H178 WeakPolarHBondContact CG2-ND1 3.21Å; P168-H178 PolarHBondContact O-ND1 2.67Å; K170-H178 WeakPolarHBondContact CE-CD2 3.31Å; K170-H178 WeakPolarHBondContact CE-NE2 3.39Å; K170-H178 HydrophobicContact CG-CB 4.39Å; C175-H178 WeakPolarHBondContact O-CB 3.4Å; C175-H178 PolarHBondContact O-N 2.78Å; H178-A181 PolarHBondContact O-N 3.2Å; H178-L182 WeakPolarHBondContact NE2-CD1 3.26Å; H178-L182 PolarHBondContact O-N 2.87Å
179E86.3Confident85.4Confident127 Ų12791.2 Ų91.259%0.59344%0.441SS*.Hα-helixtrans-62.1-44.6176.5-72.4173.2-172.900112.3C175 A181 L182 E183C175-E179 PolarHBondContact O-N 2.88Å; C175-E179 VanDerWaalsContact O-N 3.14Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 2.82Å; E179-L182 PolarHBondContact O-N 2.78Å; E179-E183 PolarHBondContact O-N 3.24Å
180K88.9Confident85.7Confident137 Ų13780.5 Ų80.560%0.59640%0.401SS*.Hα-helixtrans-63-34.6175.2-74.6179.9179.6-176.50113S176 R184S176-K180 WeakPolarHBondContact O-CB 3.32Å; S176-K180 WeakPolarHBondContact O-CG 2.83Å; S176-K180 PolarHBondContact O-N 3.19Å; S176-K180 VanDerWaalsContact O-N 3.08Å; K180-R184 WeakPolarHBondContact O-CG 3.39Å; K180-R184 PolarHBondContact O-N 2.86Å
181A89.4Confident86Confident16 Ų1677.4 Ų77.413%0.13239%0.389CS..Hα-helixtrans-70.1-40.6176.300000111.7I167 P168 Q177 H178 E179 R184 F185I167-A181 HydrophobicContact CG2-CB 4.46Å; P168-A181 HydrophobicContact CG-CB 4.44Å; Q177-A181 WeakPolarHBondContact O-CB 3.47Å; Q177-A181 PolarHBondContact O-N 3.05Å; Q177-A181 VanDerWaalsContact O-N 3.08Å; H178-A181 PolarHBondContact O-N 3.2Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 2.82Å; A181-R184 PolarHBondContact O-N 3.08Å; A181-F185 WeakPolarHBondContact O-CB 3.38Å; A181-F185 PolarHBondContact O-N 3.31Å
182L89.6Confident86.6Confident15 Ų1567.9 Ų67.98%0.07935%0.354CS..Hα-helixtrans-62.5-42.9173.6-81.9168.2000112I167 H178 E179 R184 F185 Y186I167-L182 HydrophobicContact CD1-CD2 3.58Å; I167-L182 HydrophobicContact CD1-CG 4.17Å; I167-L182 HydrophobicContact CG2-CG 4.48Å; H178-L182 WeakPolarHBondContact NE2-CD1 3.26Å; H178-L182 PolarHBondContact O-N 2.87Å; E179-L182 PolarHBondContact O-N 2.78Å; L182-R184 PolarHBondContact O-N 2.83Å; L182-F185 WeakPolarHBondContact O-CB 3.49Å; L182-F185 PolarHBondContact O-N 3Å; L182-F185 VanDerWaalsContact O-N 3.16Å; L182-Y186 HydrophobicContact CB-CE2 4.27Å; L182-Y186 WeakPolarHBondContact O-CD2 3.28Å; L182-Y186 VanDerWaalsContact O-CG 3.29Å; L182-Y186 PolarHBondContact O-N 3Å
183E90.4Very high87.4Confident100 Ų10057.2 Ų57.247%0.46731%0.308SS..Hα-helixtrans-60.6-46.1178-170.9169.1-155.100111.6E179 F185 Y186 E187 Y220E179-E183 PolarHBondContact O-N 3.24Å; E183-F185 VanDerWaalsContact C-N 3.31Å; E183-F185 PolarHBondContact O-N 3.18Å; E183-Y186 PolarHBondContact O-N 3.38Å; E183-E187 WeakPolarHBondContact O-CB 3.42Å; E183-E187 PolarHBondContact O-N 2.9Å; E183-Y220 HydrophobicContact CG-CE2 3.67Å
184R91Very high88.2Confident185 Ų18556.2 Ų56.270%0.69828%0.283SS*.Hα-helixtrans-61.9-37.9173.8-72.3176.7179.2179.9-1.3112.8K180 A181 L182 A188K180-R184 WeakPolarHBondContact O-CG 3.39Å; K180-R184 PolarHBondContact O-N 2.86Å; A181-R184 PolarHBondContact O-N 3.08Å; L182-R184 PolarHBondContact O-N 2.83Å; R184-A188 WeakPolarHBondContact O-CB 3.36Å; R184-A188 PolarHBondContact O-N 2.84Å
185F93.4Very high88.9Confident0 Ų062.6 Ų62.60%030%0.299CS..Hα-helixtrans-64.3-48.3176.3172-107.7000110.9Q143 A147 V163 V165 I167 A181 L182 E183 E187 A188 V189Q143-F185 WeakPolarHBondContact O-CZ 3.44Å; A147-F185 HydrophobicContact CB-CE2 4.03Å; A147-F185 HydrophobicContact CB-CZ 3.69Å; V163-F185 HydrophobicContact CG1-CD2 4.14Å; V163-F185 HydrophobicContact CG1-CE2 4.13Å; V165-F185 HydrophobicContact CB-CB 4.48Å; V165-F185 HydrophobicContact CB-CD2 3.93Å; V165-F185 HydrophobicContact CG2-CD2 3.85Å; I167-F185 HydrophobicContact CD1-CB 4.41Å; I167-F185 HydrophobicContact CD1-CD1 4.44Å; I167-F185 HydrophobicContact CD1-CG 4.37Å; A181-F185 WeakPolarHBondContact O-CB 3.38Å; A181-F185 PolarHBondContact O-N 3.31Å; L182-F185 WeakPolarHBondContact O-CB 3.49Å; L182-F185 PolarHBondContact O-N 3Å; L182-F185 VanDerWaalsContact O-N 3.16Å; E183-F185 VanDerWaalsContact C-N 3.31Å; E183-F185 PolarHBondContact O-N 3.18Å; F185-E187 VanDerWaalsContact C-N 3.33Å; F185-E187 PolarHBondContact O-N 3.33Å; F185-A188 PolarHBondContact O-N 2.97Å; F185-V189 HydrophobicContact CD2-CG2 4.43Å; F185-V189 HydrophobicContact CE1-CG2 4.36Å; F185-V189 HydrophobicContact CE2-CG2 4.1Å; F185-V189 HydrophobicContact CZ-CG2 4.07Å; F185-V189 WeakPolarHBondContact O-CG2 3.18Å; F185-V189 PolarHBondContact O-N 2.91Å
186Y93.3Very high89Confident13 Ų1363.5 Ų63.55%0.05130%0.297CS..Hα-helixtrans-63.4-37.8177.4-62.7-32.9000112.7L182 E183 V189 M190 V213 Q216 F217 Y220L182-Y186 HydrophobicContact CB-CE2 4.27Å; L182-Y186 WeakPolarHBondContact O-CD2 3.28Å; L182-Y186 VanDerWaalsContact O-CG 3.29Å; L182-Y186 PolarHBondContact O-N 3Å; E183-Y186 PolarHBondContact O-N 3.38Å; Y186-V189 PolarHBondContact O-N 3.1Å; Y186-M190 WeakPolarHBondContact O-CB 3.13Å; Y186-M190 PolarHBondContact O-N 2.96Å; Y186-V213 HydrophobicContact CE1-CG1 4.06Å; Y186-Q216 HydrophobicContact CE2-CB 4.4Å; Y186-Q216 PolarHBondContact OH-OE1 3.23Å; Y186-F217 HydrophobicContact CD1-CB 4.09Å; Y186-F217 AromaticContact CD1-CD2 3.53Å; Y186-F217 HydrophobicContact CD1-CD2 3.53Å; Y186-F217 HydrophobicContact CD1-CE2 4.45Å; Y186-F217 HydrophobicContact CD1-CG 4.26Å; Y186-F217 HydrophobicContact CE1-CB 3.98Å; Y186-F217 HydrophobicContact CE1-CD2 4.27Å; Y186-F217 AromaticContact CG-CD2 3.91Å; Y186-F217 HydrophobicContact CG-CD2 3.91Å; Y186-Y220 VanDerWaalsContact CB-CD1 3.43Å; Y186-Y220 HydrophobicContact CD2-CD1 4.46Å; Y186-Y220 HydrophobicContact CD2-CG 4.18Å; Y186-Y220 HydrophobicContact CG-CD1 4.33Å; Y186-Y220 HydrophobicContact CG-CG 4.49Å
187E91.9Very high89.1Confident83 Ų8361 Ų6139%0.38828%0.279SS..Hα-helixtrans-60.7-46.1173.1-170.6-179.6178.300111.5E183 F185 V189 M190 Q191E183-E187 WeakPolarHBondContact O-CB 3.42Å; E183-E187 PolarHBondContact O-N 2.9Å; F185-E187 VanDerWaalsContact C-N 3.33Å; F185-E187 PolarHBondContact O-N 3.33Å; E187-V189 VanDerWaalsContact C-N 3.33Å; E187-V189 PolarHBondContact O-N 2.81Å; E187-M190 PolarHBondContact O-N 2.98Å; E187-Q191 WeakPolarHBondContact O-CG 3.3Å; E187-Q191 PolarHBondContact O-N 2.86Å
188A92.8Very high88.9Confident33 Ų3358.8 Ų58.827%0.27327%0.271SS..Hα-helixtrans-61.9-40177.500000112.4V163 R184 F185 Q191 A192V163-A188 HydrophobicContact CG1-CB 3.87Å; R184-A188 WeakPolarHBondContact O-CB 3.36Å; R184-A188 PolarHBondContact O-N 2.84Å; F185-A188 PolarHBondContact O-N 2.97Å; A188-Q191 PolarHBondContact O-N 2.88Å; A188-A192 WeakPolarHBondContact O-CB 3.01Å; A188-A192 PolarHBondContact O-N 3.19Å
189V92.4Very high88.7Confident0 Ų058.9 Ų58.90%027%0.271CS..Hα-helixtrans-67.4-43.6176.2178.90000111.2V140 M142 A147 V163 F185 Y186 E187 Q191 A192 I193 F217V140-V189 HydrophobicContact CG1-CG1 3.95Å; M142-V189 HydrophobicContact SD-CG1 4.09Å; A147-V189 HydrophobicContact CB-CG1 4.33Å; A147-V189 HydrophobicContact CB-CG2 3.43Å; A147-V189 VanDerWaalsContact CB-CG2 3.43Å; V163-V189 HydrophobicContact CB-CG2 4.34Å; V163-V189 HydrophobicContact CG1-CG2 4.29Å; V163-V189 HydrophobicContact CG2-CG2 4.48Å; F185-V189 HydrophobicContact CD2-CG2 4.43Å; F185-V189 HydrophobicContact CE1-CG2 4.36Å; F185-V189 HydrophobicContact CE2-CG2 4.1Å; F185-V189 HydrophobicContact CZ-CG2 4.07Å; F185-V189 WeakPolarHBondContact O-CG2 3.18Å; F185-V189 PolarHBondContact O-N 2.91Å; Y186-V189 PolarHBondContact O-N 3.1Å; E187-V189 VanDerWaalsContact C-N 3.33Å; E187-V189 PolarHBondContact O-N 2.81Å; V189-Q191 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.07Å; V189-A192 WeakPolarHBondContact O-CB 3.39Å; V189-A192 PolarHBondContact O-N 3.3Å; V189-A192 VanDerWaalsContact O-N 3.16Å; V189-I193 HydrophobicContact CG1-CD1 4.26Å; V189-I193 WeakPolarHBondContact O-CG1 3.29Å; V189-I193 PolarHBondContact O-N 3.39Å; V189-F217 HydrophobicContact CB-CE2 3.84Å; V189-F217 HydrophobicContact CB-CZ 4.15Å; V189-F217 HydrophobicContact CG1-CE1 4.37Å; V189-F217 HydrophobicContact CG1-CE2 3.75Å; V189-F217 HydrophobicContact CG1-CZ 3.56Å
190M90.4Very high88.3Confident7 Ų761.1 Ų61.13%0.03428%0.282CS..Hα-helixtrans-59.2-44175.6-179.6-175.6168.400111.4Y186 E187 A192 I193 L194 V221 E224 L233Y186-M190 WeakPolarHBondContact O-CB 3.13Å; Y186-M190 PolarHBondContact O-N 2.96Å; E187-M190 PolarHBondContact O-N 2.98Å; M190-A192 VanDerWaalsContact C-N 3.34Å; M190-A192 PolarHBondContact O-N 2.86Å; M190-I193 PolarHBondContact O-N 3.31Å; M190-L194 HydrophobicContact CE-CD1 4.31Å; M190-L194 HydrophobicContact CG-CD1 4.45Å; M190-L194 WeakPolarHBondContact O-CG 3.36Å; M190-L194 PolarHBondContact O-N 2.95Å; M190-L194 VanDerWaalsContact O-N 3.07Å; M190-V221 HydrophobicContact CB-CG2 4.49Å; M190-E224 HydrophobicContact CE-CB 4.25Å; M190-E224 HydrophobicContact CE-CG 4.05Å; M190-E224 HydrophobicContact SD-CB 4.03Å; M190-E224 HydrophobicContact SD-CG 3.93Å; M190-L233 HydrophobicContact CE-CD1 3.61Å
191Q90.3Very high87.8Confident76 Ų7658.2 Ų58.236%0.35528%0.275SS..Hα-helixtrans-63.4-38.9175.2-71.1-178.41300112.2E187 A188 V189 L194 R195E187-Q191 WeakPolarHBondContact O-CG 3.3Å; E187-Q191 PolarHBondContact O-N 2.86Å; A188-Q191 PolarHBondContact O-N 2.88Å; V189-Q191 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.07Å; Q191-L194 PolarHBondContact O-N 3.42Å; Q191-R195 WeakPolarHBondContact O-CB 3.43Å; Q191-R195 VanDerWaalsContact O-CG 3.27Å; Q191-R195 WeakPolarHBondContact O-CG 3.25Å; Q191-R195 PolarHBondContact O-N 2.74Å
192A90Very high87.3Confident7 Ų757.6 Ų57.66%0.05827%0.27CS..Hα-helixtrans-63.9-41.4176.400000111.9V149 A161 V163 A188 V189 M190 R195 H196V149-A192 HydrophobicContact CG2-CB 4.03Å; A161-A192 HydrophobicContact CB-CB 3.98Å; V163-A192 HydrophobicContact CG2-CB 4.23Å; A188-A192 WeakPolarHBondContact O-CB 3.01Å; A188-A192 PolarHBondContact O-N 3.19Å; V189-A192 WeakPolarHBondContact O-CB 3.39Å; V189-A192 PolarHBondContact O-N 3.3Å; V189-A192 VanDerWaalsContact O-N 3.16Å; M190-A192 VanDerWaalsContact C-N 3.34Å; M190-A192 PolarHBondContact O-N 2.86Å; A192-R195 PolarHBondContact O-N 3.06Å; A192-H196 WeakPolarHBondContact O-CB 2.92Å; A192-H196 PolarHBondContact O-CD2 3.09Å; A192-H196 PolarHBondContact O-N 3.17Å; A192-H196 VanDerWaalsContact O-N 3.09Å
193I88.8Confident86.8Confident4 Ų462.2 Ų62.22%0.02129%0.29CS..Hα-helixtrans-59.7-51.4174.8-67.7170.5000110V140 V149 V189 M190 R195 H196 I197 F199 F217V140-I193 HydrophobicContact CG1-CD1 4.47Å; V140-I193 HydrophobicContact CG2-CD1 3.92Å; V140-I193 HydrophobicContact CG2-CG1 4Å; V149-I193 HydrophobicContact CG2-CG1 4.4Å; V189-I193 HydrophobicContact CG1-CD1 4.26Å; V189-I193 WeakPolarHBondContact O-CG1 3.29Å; V189-I193 PolarHBondContact O-N 3.39Å; M190-I193 PolarHBondContact O-N 3.31Å; I193-R195 VanDerWaalsContact C-N 3.29Å; I193-R195 PolarHBondContact O-N 2.89Å; I193-H196 PolarHBondContact O-N 2.6Å; I193-I197 HydrophobicContact CB-CD1 4.24Å; I193-I197 HydrophobicContact CG1-CD1 4.18Å; I193-I197 HydrophobicContact CG2-CB 4.46Å; I193-I197 HydrophobicContact CG2-CD1 3.88Å; I193-I197 VanDerWaalsContact O-CB 3.3Å; I193-I197 WeakPolarHBondContact O-CB 3.33Å; I193-I197 PolarHBondContact O-N 2.93Å; I193-F199 HydrophobicContact CG2-CE1 4.31Å; I193-F199 HydrophobicContact CG2-CZ 3.77Å; I193-F217 HydrophobicContact CD1-CE1 4.04Å; I193-F217 HydrophobicContact CD1-CZ 3.76Å
194L87.5Confident86.5Confident63 Ų6358.1 Ų58.133%0.3327%0.272SS..Hα-helixtrans-62.7-32.3-178.2-70.3173.7000113.6M190 Q191 F199 L233M190-L194 HydrophobicContact CE-CD1 4.31Å; M190-L194 HydrophobicContact CG-CD1 4.45Å; M190-L194 WeakPolarHBondContact O-CG 3.36Å; M190-L194 PolarHBondContact O-N 2.95Å; M190-L194 VanDerWaalsContact O-N 3.07Å; Q191-L194 PolarHBondContact O-N 3.42Å; L194-F199 HydrophobicContact CD2-CE2 3.94Å; L194-F199 HydrophobicContact CD2-CZ 4.17Å; L194-L233 HydrophobicContact CD2-CD1 4.09Å; L194-L233 HydrophobicContact CD2-CD2 4.18Å; L194-L233 HydrophobicContact CD2-CG 4.03Å
195R87.1Confident86.4Confident181 Ų18149.3 Ų49.368%0.68324%0.239SC*.Hα-helixtrans-78.7-35.7180-73.3175.7-171.4165.29.3113.3Q191 A192 I193Q191-R195 WeakPolarHBondContact O-CB 3.43Å; Q191-R195 VanDerWaalsContact O-CG 3.27Å; Q191-R195 WeakPolarHBondContact O-CG 3.25Å; Q191-R195 PolarHBondContact O-N 2.74Å; A192-R195 PolarHBondContact O-N 3.06Å; I193-R195 VanDerWaalsContact C-N 3.29Å; I193-R195 PolarHBondContact O-N 2.89Å
196H83.4Confident86.2Confident82 Ų8249.4 Ų49.438%0.3824%0.239SC..Hα-helixtrans-109.9-18.4-167.3-64.4-62.5000114.5R160 A192 I193R160-H196 HydrophobicContact CB-CB 3.8Å; R160-H196 HydrophobicContact CG-CB 4.33Å; A192-H196 WeakPolarHBondContact O-CB 2.92Å; A192-H196 PolarHBondContact O-CD2 3.09Å; A192-H196 PolarHBondContact O-N 3.17Å; A192-H196 VanDerWaalsContact O-N 3.09Å; I193-H196 PolarHBondContact O-N 2.6Å
197I83Confident86.2Confident10 Ų1048.8 Ų48.85%0.05124%0.237CC..  trans-106.9118.9-177.9-63.5168.8000108.9A138 V149 I193 V202 I205A138-I197 HydrophobicContact CB-CD1 3.67Å; A138-I197 HydrophobicContact CB-CG1 4.09Å; A138-I197 HydrophobicContact CB-CG2 4.15Å; V149-I197 HydrophobicContact CG1-CD1 3.7Å; V149-I197 HydrophobicContact CG1-CG1 4.18Å; I193-I197 HydrophobicContact CB-CD1 4.24Å; I193-I197 HydrophobicContact CG1-CD1 4.18Å; I193-I197 HydrophobicContact CG2-CB 4.46Å; I193-I197 HydrophobicContact CG2-CD1 3.88Å; I193-I197 VanDerWaalsContact O-CB 3.3Å; I193-I197 WeakPolarHBondContact O-CB 3.33Å; I193-I197 PolarHBondContact O-N 2.93Å; I197-V202 HydrophobicContact CG2-CB 4.42Å; I197-V202 HydrophobicContact CG2-CG2 3.97Å; I197-I205 HydrophobicContact CG2-CD1 4.35Å
198N81.4Confident86.2Confident86 Ų8644.9 Ų44.946%0.4622%0.219SC..  trans-87112.9167.1-173.4-8.8000109.5E200 V201 V202N198-E200 PolarHBondContact O-N 3.05Å; N198-E200 PolarHBondContact OD1-N 2.9Å; N198-E200 VanDerWaalsContact OD1-N 3.08Å; N198-V201 HydrophobicContact CB-CG2 4.39Å; N198-V201 PolarHBondContact O-N 3.32Å; N198-V202 WeakPolarHBondContact O-CG2 3.36Å; N198-V202 PolarHBondContact O-N 3.23Å
199F80.8Confident86.2Confident11 Ų1143.3 Ų43.35%0.04821%0.206CC..THydrogen-bonded Turntrans-70.7-16.6-176.4-61.5-91.8000114.1I193 L194 I205 V232 L233 N236 K239 F240I193-F199 HydrophobicContact CG2-CE1 4.31Å; I193-F199 HydrophobicContact CG2-CZ 3.77Å; L194-F199 HydrophobicContact CD2-CE2 3.94Å; L194-F199 HydrophobicContact CD2-CZ 4.17Å; F199-I205 HydrophobicContact CD1-CD1 3.62Å; F199-I205 HydrophobicContact CE1-CD1 3.39Å; F199-V232 HydrophobicContact CB-CG1 4.15Å; F199-V232 HydrophobicContact CD2-CG1 3.42Å; F199-V232 VanDerWaalsContact CD2-CG1 3.42Å; F199-V232 HydrophobicContact CE2-CG1 3.96Å; F199-V232 HydrophobicContact CG-CG1 3.87Å; F199-L233 HydrophobicContact CE1-CD2 3.92Å; F199-L233 HydrophobicContact CZ-CD2 3.63Å; F199-N236 VanDerWaalsContact CB-ND2 3.35Å; F199-N236 WeakPolarHBondContact CB-ND2 3.11Å; F199-N236 HydrophobicContact CD1-CB 4.02Å; F199-K239 PolarHBondContact O-NZ 3.01Å; F199-F240 HydrophobicContact CE1-CE2 4.32Å; F199-F240 HydrophobicContact CE1-CZ 4.06Å
200E79.1Confident86.2Confident174 Ų17445.1 Ų45.181%0.81322%0.217SC*.THydrogen-bonded Turntrans-74-39.2176.4-65-179.4174.300111.4N198N198-E200 PolarHBondContact O-N 3.05Å; N198-E200 PolarHBondContact OD1-N 2.9Å; N198-E200 VanDerWaalsContact OD1-N 3.08Å
201V78.3Confident86.1Confident76 Ų7646.7 Ų46.746%0.46124%0.235SC..THydrogen-bonded Turntrans-81.3-38.1-177.7-176.50000111.3D136 N198 K203D136-V201 HydrophobicContact CB-CG1 4.26Å; D136-V201 WeakPolarHBondContact OD2-CG1 3.47Å; N198-V201 HydrophobicContact CB-CG2 4.39Å; N198-V201 PolarHBondContact O-N 3.32Å; V201-K203 PolarHBondContact O-N 3.05Å
202V78Confident86.1Confident4 Ų450.9 Ų50.92%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-76.2128-174.3174.10000111.8D136 A138 L151 I197 N198 C204 I205 K239D136-V202 HydrophobicContact CB-CG2 4.19Å; D136-V202 WeakPolarHBondContact O-CA 3.43Å; A138-V202 HydrophobicContact CB-CG1 3.9Å; A138-V202 HydrophobicContact CB-CG2 4.39Å; L151-V202 HydrophobicContact CD1-CG2 3.98Å; I197-V202 HydrophobicContact CG2-CB 4.42Å; I197-V202 HydrophobicContact CG2-CG2 3.97Å; N198-V202 WeakPolarHBondContact O-CG2 3.36Å; N198-V202 PolarHBondContact O-N 3.23Å; V202-C204 WeakPolarHBondContact CG1-O 3.3Å; V202-I205 HydrophobicContact CG1-CG1 4.02Å; V202-K239 PolarHBondContact O-NZ 3.3Å
203K79.3Confident86.2Confident112 Ų11251 Ų5149%0.48725%0.252SS..EExtended strand (participates in β ladder)trans-75.6-43.8177.3-65.5-171.3-177.7-179.70111.9A135 D136 V201A135-K203 HydrophobicContact CB-CD 3.82Å; A135-K203 VanDerWaalsContact CB-CE 3.49Å; A135-K203 VanDerWaalsContact CB-NZ 3.33Å; D136-K203 PolarHBondContact O-N 3.13Å; V201-K203 PolarHBondContact O-N 3.05Å
204C83.6Confident86.3Confident14 Ų1452.2 Ų52.210%0.09526%0.258CS..EExtended strand (participates in β ladder)trans-145.7145.5-175.4-174.70000111.3A138 V202 K239 M241A138-C204 PolarHBondContact N-O 3.29Å; V202-C204 WeakPolarHBondContact CG1-O 3.3Å; C204-K239 PolarHBondContact SG-O 3.35Å; C204-K239 VanDerWaalsContact SG-O 3.41Å; C204-M241 PolarHBondContact SG-SD 3.39Å
205I88.7Confident86.6Confident0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-115.1108.8174.9-53.9179.4000108.2A138 V140 I197 F199 V202 V207 K239 F240 M241A138-I205 HydrophobicContact CB-CG1 4.19Å; A138-I205 HydrophobicContact CB-CG2 4.35Å; A138-I205 CarbonylContact O-C 3.58Å; A138-I205 WeakPolarHBondContact O-CA 3.12Å; V140-I205 HydrophobicContact CG2-CG2 4.37Å; I197-I205 HydrophobicContact CG2-CD1 4.35Å; F199-I205 HydrophobicContact CD1-CD1 3.62Å; F199-I205 HydrophobicContact CE1-CD1 3.39Å; V202-I205 HydrophobicContact CG1-CG1 4.02Å; I205-V207 HydrophobicContact CG2-CG2 4.38Å; I205-K239 PolarHBondContact N-O 3.43Å; I205-F240 HydrophobicContact CB-CD1 4.14Å; I205-F240 HydrophobicContact CB-CE1 4.3Å; I205-F240 HydrophobicContact CB-CG 4.49Å; I205-F240 HydrophobicContact CD1-CE1 4.05Å; I205-F240 HydrophobicContact CD1-CE2 4.06Å; I205-F240 HydrophobicContact CD1-CZ 3.77Å; I205-F240 HydrophobicContact CG2-CD1 3.97Å; I205-F240 HydrophobicContact CG2-CE1 3.89Å; I205-F240 WeakPolarHBondContact O-CA 3.01Å; I205-M241 PolarHBondContact O-N 3.5Å
206L89.9Confident86.8Confident1 Ų148.3 Ų48.31%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-83127.1175.1-54.9175.4000108.7V137 A138 A139 V140 M241 V243 I256 L257 V262 L266V137-L206 HydrophobicContact CG1-CD1 3.84Å; V137-L206 HydrophobicContact CG1-CG 4.03Å; A138-L206 PolarHBondContact O-N 2.86Å; A139-L206 CarbonylContact C-O 3.55Å; A139-L206 WeakPolarHBondContact CA-O 3.39Å; A139-L206 HydrophobicContact CB-CB 4.29Å; V140-L206 PolarHBondContact N-O 2.71Å; L206-M241 HydrophobicContact CD2-CB 4.11Å; L206-V243 HydrophobicContact CD2-CG2 4.2Å; L206-I256 HydrophobicContact CB-CG2 4.35Å; L206-I256 HydrophobicContact CD1-CG2 3.92Å; L206-L257 HydrophobicContact CD1-CD2 4.1Å; L206-V262 HydrophobicContact CD1-CG1 3.93Å; L206-V262 HydrophobicContact CD2-CG1 3.98Å; L206-V262 HydrophobicContact CD2-CG2 4.32Å; L206-L266 HydrophobicContact CD1-CD1 4.14Å; L206-L266 HydrophobicContact CD2-CD1 4.13Å
207V92.7Very high87.2Confident1 Ų144.5 Ų44.51%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-117.3112.4175.31800000107.1M142 I205 K214 F217 F240 M241 L242 V243M142-V207 HydrophobicContact CE-CG1 3.33Å; I205-V207 HydrophobicContact CG2-CG2 4.38Å; V207-K214 HydrophobicContact CG1-CB 4.07Å; V207-F217 HydrophobicContact CG1-CD1 3.93Å; V207-F217 HydrophobicContact CG1-CE1 4.42Å; V207-F240 HydrophobicContact CG2-CD1 3.87Å; V207-M241 PolarHBondContact N-O 3.43Å; V207-L242 HydrophobicContact CB-CD2 4.09Å; V207-L242 HydrophobicContact CG1-CD2 4.21Å; V207-L242 WeakPolarHBondContact O-CA 3.37Å; V207-V243 PolarHBondContact O-N 3.08Å
208A92.7Very high87.7Confident1 Ų146.7 Ų46.71%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-126140.4-17200000112.1V140 M142 V243 I256V140-A208 PolarHBondContact O-N 2.84Å; M142-A208 PolarHBondContact N-O 3.21Å; A208-V243 VanDerWaalsContact CA-O 3.31Å; A208-V243 WeakPolarHBondContact CA-O 3.3Å; A208-V243 HydrophobicContact CB-CB 4.34Å; A208-I256 HydrophobicContact CB-CD1 3.12Å; A208-I256 HydrophobicContact CB-CG1 3.62Å; A208-I256 HydrophobicContact CB-CG2 4.47Å
209S93.2Very high88.2Confident0 Ų045.5 Ų45.50%024%0.24CC..EExtended strand (participates in β ladder)trans-158.7157.9175.272.50000112.1M142 K214 S245M142-S209 VanDerWaalsContact O-CA 3.3Å; M142-S209 WeakPolarHBondContact O-CA 3.42Å; M142-S209 WeakPolarHBondContact O-CB 3.44Å; S209-K214 WeakPolarHBondContact OG-CB 3.38Å; S209-K214 WeakPolarHBondContact OG-CG 3.28Å; S209-K214 PolarHBondContact OG-N 3.19Å; S209-S245 CarbonylContact C-O 3.45Å; S209-S245 VanDerWaalsContact C-OG 3.24Å; S209-S245 WeakPolarHBondContact CA-OG 3.5Å; S209-S245 PolarHBondContact N-OG 3.4Å; S209-S245 PolarHBondContact O-N 2.74Å
210P91.9Very high88.7Confident38 Ų3846.4 Ų46.425%0.24724%0.243CC..SBendtrans-71.1132.916229.9-29.9000110.3M142 Q143 S245M142-P210 WeakPolarHBondContact O-CD 3.39Å; Q143-P210 HydrophobicContact CB-CG 4.41Å; Q143-P210 HydrophobicContact CG-CG 4.31Å; P210-S245 WeakPolarHBondContact CA-O 3.38Å; P210-S245 WeakPolarHBondContact CB-O 3.49Å
211G89.3Confident89.2Confident40 Ų4038.3 Ų38.341%0.41221%0.206SC..THydrogen-bonded Turntrans68.2-139.2178.500000114
212F90.5Very high89.8Confident163 Ų16335.4 Ų35.472%0.71519%0.187SC*.THydrogen-bonded Turntrans-95.84.8-168.1-54.4-74.8000114.8K214 D215 Q216F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 3.07Å; F212-D215 PolarHBondContact O-N 3.23Å; F212-Q216 WeakPolarHBondContact O-CG 3.48Å; F212-Q216 PolarHBondContact O-N 3.02Å; F212-Q216 VanDerWaalsContact O-N 3.12Å
213V91.1Very high90.4Very high9 Ų942.9 Ų42.96%0.05522%0.219CC..Hα-helixtrans-63-40.7-174.6178.70000111.1E144 Y186 D215 Q216 F217E144-V213 HydrophobicContact CG-CG2 3.97Å; Y186-V213 HydrophobicContact CE1-CG1 4.06Å; V213-D215 VanDerWaalsContact C-N 3.32Å; V213-D215 PolarHBondContact O-N 2.71Å; V213-Q216 PolarHBondContact O-N 2.83Å; V213-F217 VanDerWaalsContact O-CB 3.29Å; V213-F217 WeakPolarHBondContact O-CB 3.47Å; V213-F217 PolarHBondContact O-N 3.18Å
214K91.5Very high90.7Very high31 Ų3138.1 Ų38.114%0.13520%0.199CC..Hα-helixtrans-59.6-40176.365.2-171.9179.164.50112.5M142 V207 S209 F212 Y218 L242 V243M142-K214 HydrophobicContact CE-CB 4.5Å; V207-K214 HydrophobicContact CG1-CB 4.07Å; S209-K214 WeakPolarHBondContact OG-CB 3.38Å; S209-K214 WeakPolarHBondContact OG-CG 3.28Å; S209-K214 PolarHBondContact OG-N 3.19Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 3.07Å; K214-Y218 WeakPolarHBondContact O-CB 3.32Å; K214-Y218 PolarHBondContact O-N 2.79Å; K214-L242 HydrophobicContact CB-CD2 4.22Å; K214-L242 HydrophobicContact CD-CB 4.29Å; K214-L242 HydrophobicContact CG-CD2 4.48Å; K214-V243 WeakPolarHBondContact CD-O 3.4Å
215D92.9Very high90.9Very high60 Ų6037.4 Ų37.432%0.32119%0.194SC..Hα-helixtrans-73.7-40.5-176.4-52.5-55.5000109.9F212 V213 A219 L242F212-D215 PolarHBondContact O-N 3.23Å; V213-D215 VanDerWaalsContact C-N 3.32Å; V213-D215 PolarHBondContact O-N 2.71Å; D215-A219 WeakPolarHBondContact O-CB 3.41Å; D215-A219 PolarHBondContact O-N 3.46Å; D215-L242 WeakPolarHBondContact OD1-CD1 3.16Å
216Q92.1Very high90.9Very high101 Ų10141.8 Ų41.847%0.47222%0.221SC..Hα-helixtrans-64.4-45.8173.1-70.1-175.1-5.600112.3Y186 F212 V213 A219 Y220Y186-Q216 HydrophobicContact CE2-CB 4.4Å; Y186-Q216 PolarHBondContact OH-OE1 3.23Å; F212-Q216 WeakPolarHBondContact O-CG 3.48Å; F212-Q216 PolarHBondContact O-N 3.02Å; F212-Q216 VanDerWaalsContact O-N 3.12Å; V213-Q216 PolarHBondContact O-N 2.83Å; Q216-A219 PolarHBondContact O-N 3.2Å; Q216-Y220 WeakPolarHBondContact O-CB 3.31Å; Q216-Y220 PolarHBondContact O-N 3.46Å
217F92.3Very high90.9Very high2 Ų250.4 Ų50.41%0.00925%0.253CS..Hα-helixtrans-62-45.1176.9175.4-107.2000111.4M142 Y186 V189 I193 V207 V213 A219 Y220 V221M142-F217 HydrophobicContact CE-CB 3.89Å; M142-F217 HydrophobicContact CE-CD1 3.58Å; M142-F217 HydrophobicContact CE-CE1 4.3Å; M142-F217 HydrophobicContact CE-CG 3.82Å; M142-F217 HydrophobicContact SD-CB 4.37Å; M142-F217 HydrophobicContact SD-CD1 3.81Å; M142-F217 HydrophobicContact SD-CD2 4.27Å; M142-F217 HydrophobicContact SD-CE1 4.11Å; M142-F217 HydrophobicContact SD-CG 3.87Å; M142-F217 HydrophobicContact SD-CZ 4.46Å; Y186-F217 HydrophobicContact CD1-CB 4.09Å; Y186-F217 AromaticContact CD1-CD2 3.53Å; Y186-F217 HydrophobicContact CD1-CD2 3.53Å; Y186-F217 HydrophobicContact CD1-CE2 4.45Å; Y186-F217 HydrophobicContact CD1-CG 4.26Å; Y186-F217 HydrophobicContact CE1-CB 3.98Å; Y186-F217 HydrophobicContact CE1-CD2 4.27Å; Y186-F217 AromaticContact CG-CD2 3.91Å; Y186-F217 HydrophobicContact CG-CD2 3.91Å; V189-F217 HydrophobicContact CB-CE2 3.84Å; V189-F217 HydrophobicContact CB-CZ 4.15Å; V189-F217 HydrophobicContact CG1-CE1 4.37Å; V189-F217 HydrophobicContact CG1-CE2 3.75Å; V189-F217 HydrophobicContact CG1-CZ 3.56Å; I193-F217 HydrophobicContact CD1-CE1 4.04Å; I193-F217 HydrophobicContact CD1-CZ 3.76Å; V207-F217 HydrophobicContact CG1-CD1 3.93Å; V207-F217 HydrophobicContact CG1-CE1 4.42Å; V213-F217 VanDerWaalsContact O-CB 3.29Å; V213-F217 WeakPolarHBondContact O-CB 3.47Å; V213-F217 PolarHBondContact O-N 3.18Å; F217-A219 PolarHBondContact O-N 3.44Å; F217-Y220 WeakPolarHBondContact O-CB 3.47Å; F217-Y220 PolarHBondContact O-N 2.72Å; F217-Y220 VanDerWaalsContact O-N 3.14Å; F217-V221 HydrophobicContact CD1-CG2 4.12Å; F217-V221 HydrophobicContact CD2-CG2 4Å; F217-V221 HydrophobicContact CE1-CG2 3.66Å; F217-V221 HydrophobicContact CE2-CG2 3.52Å; F217-V221 HydrophobicContact CG-CG2 4.3Å; F217-V221 HydrophobicContact CZ-CG2 3.34Å; F217-V221 WeakPolarHBondContact O-CG2 3.45Å; F217-V221 PolarHBondContact O-N 2.91Å
218Y91.9Very high90.5Very high56 Ų5655.2 Ų55.222%0.2228%0.275CS..Hα-helixtrans-58.1-47.8176.5-176.5-89.4000111.3K214 Y220 V221 F222 F240 L242K214-Y218 WeakPolarHBondContact O-CB 3.32Å; K214-Y218 PolarHBondContact O-N 2.79Å; Y218-Y220 VanDerWaalsContact C-N 3.31Å; Y218-Y220 PolarHBondContact O-N 3.24Å; Y218-V221 PolarHBondContact O-N 3.26Å; Y218-F222 AromaticContact CD1-CD2 3.92Å; Y218-F222 HydrophobicContact CD1-CD2 3.92Å; Y218-F222 HydrophobicContact CD1-CE2 4.13Å; Y218-F222 HydrophobicContact CD2-CD2 4.18Å; Y218-F222 AromaticContact CD2-CE2 3.6Å; Y218-F222 HydrophobicContact CD2-CE2 3.6Å; Y218-F222 AromaticContact CE1-CD2 3.72Å; Y218-F222 HydrophobicContact CE1-CD2 3.72Å; Y218-F222 AromaticContact CE1-CE2 3.81Å; Y218-F222 HydrophobicContact CE1-CE2 3.81Å; Y218-F222 HydrophobicContact CE2-CD2 4.02Å; Y218-F222 AromaticContact CE2-CE2 3.25Å; Y218-F222 HydrophobicContact CE2-CE2 3.25Å; Y218-F222 HydrophobicContact CE2-CZ 4.1Å; Y218-F222 HydrophobicContact CG-CD2 4.13Å; Y218-F222 HydrophobicContact CG-CE2 4.03Å; Y218-F222 AromaticContact CZ-CD2 3.75Å; Y218-F222 AromaticContact CZ-CE2 3.32Å; Y218-F222 WeakPolarHBondContact O-CD2 3.14Å; Y218-F222 PolarHBondContact O-N 3.42Å; Y218-F240 HydrophobicContact CD2-CB 4.26Å; Y218-F240 HydrophobicContact CE2-CB 3.73Å; Y218-L242 HydrophobicContact CD2-CD1 4.38Å; Y218-L242 HydrophobicContact CD2-CD2 3.75Å; Y218-L242 HydrophobicContact CD2-CG 4.24Å; Y218-L242 HydrophobicContact CG-CD1 4.24Å; Y218-L242 HydrophobicContact CG-CD2 4Å
219A92.3Very high89.9Confident62 Ų6261.3 Ų61.351%0.51231%0.308SS..Hα-helixtrans-60.3-40.4175.500000112.4D215 Q216 F217 K223D215-A219 WeakPolarHBondContact O-CB 3.41Å; D215-A219 PolarHBondContact O-N 3.46Å; Q216-A219 PolarHBondContact O-N 3.2Å; F217-A219 PolarHBondContact O-N 3.44Å; A219-K223 VanDerWaalsContact O-CB 3.28Å; A219-K223 WeakPolarHBondContact O-CB 3.42Å; A219-K223 PolarHBondContact O-N 2.85Å
220Y91.6Very high89.2Confident29 Ų2963.1 Ų63.111%0.11432%0.317CS..Hα-helixtrans-64.1-48.9177.7179.9-96.2000112.4E183 Y186 Q216 F217 Y218 F222 K223 E224E183-Y220 HydrophobicContact CG-CE2 3.67Å; Y186-Y220 VanDerWaalsContact CB-CD1 3.43Å; Y186-Y220 HydrophobicContact CD2-CD1 4.46Å; Y186-Y220 HydrophobicContact CD2-CG 4.18Å; Y186-Y220 HydrophobicContact CG-CD1 4.33Å; Y186-Y220 HydrophobicContact CG-CG 4.49Å; Q216-Y220 WeakPolarHBondContact O-CB 3.31Å; Q216-Y220 PolarHBondContact O-N 3.46Å; F217-Y220 WeakPolarHBondContact O-CB 3.47Å; F217-Y220 PolarHBondContact O-N 2.72Å; F217-Y220 VanDerWaalsContact O-N 3.14Å; Y218-Y220 VanDerWaalsContact C-N 3.31Å; Y218-Y220 PolarHBondContact O-N 3.24Å; Y220-F222 VanDerWaalsContact C-N 3.34Å; Y220-F222 PolarHBondContact O-N 3.3Å; Y220-K223 PolarHBondContact O-N 3.39Å; Y220-E224 WeakPolarHBondContact O-CB 3.19Å; Y220-E224 PolarHBondContact O-N 3.1Å
221V90.4Very high88.8Confident4 Ų468.5 Ų68.52%0.02434%0.337CS..Hα-helixtrans-58.5-45-179.4170.90000111.2M190 F217 Y218 E224 A225 L233M190-V221 HydrophobicContact CB-CG2 4.49Å; F217-V221 HydrophobicContact CD1-CG2 4.12Å; F217-V221 HydrophobicContact CD2-CG2 4Å; F217-V221 HydrophobicContact CE1-CG2 3.66Å; F217-V221 HydrophobicContact CE2-CG2 3.52Å; F217-V221 HydrophobicContact CG-CG2 4.3Å; F217-V221 HydrophobicContact CZ-CG2 3.34Å; F217-V221 WeakPolarHBondContact O-CG2 3.45Å; F217-V221 PolarHBondContact O-N 2.91Å; Y218-V221 PolarHBondContact O-N 3.26Å; V221-E224 PolarHBondContact O-N 2.79Å; V221-A225 VanDerWaalsContact O-CB 3.24Å; V221-A225 WeakPolarHBondContact O-CB 3.33Å; V221-A225 PolarHBondContact O-N 2.99Å; V221-L233 HydrophobicContact CG1-CD1 4.31Å
222F89.5Confident88.4Confident16 Ų1669.6 Ų69.67%0.0734%0.335CS..Hα-helixtrans-74.3-31.8179.6-72.2-67.9000113.1Y218 Y220 E224 V226 R237 F240Y218-F222 AromaticContact CD1-CD2 3.92Å; Y218-F222 HydrophobicContact CD1-CD2 3.92Å; Y218-F222 HydrophobicContact CD1-CE2 4.13Å; Y218-F222 HydrophobicContact CD2-CD2 4.18Å; Y218-F222 AromaticContact CD2-CE2 3.6Å; Y218-F222 HydrophobicContact CD2-CE2 3.6Å; Y218-F222 AromaticContact CE1-CD2 3.72Å; Y218-F222 HydrophobicContact CE1-CD2 3.72Å; Y218-F222 AromaticContact CE1-CE2 3.81Å; Y218-F222 HydrophobicContact CE1-CE2 3.81Å; Y218-F222 HydrophobicContact CE2-CD2 4.02Å; Y218-F222 AromaticContact CE2-CE2 3.25Å; Y218-F222 HydrophobicContact CE2-CE2 3.25Å; Y218-F222 HydrophobicContact CE2-CZ 4.1Å; Y218-F222 HydrophobicContact CG-CD2 4.13Å; Y218-F222 HydrophobicContact CG-CE2 4.03Å; Y218-F222 AromaticContact CZ-CD2 3.75Å; Y218-F222 AromaticContact CZ-CE2 3.32Å; Y218-F222 WeakPolarHBondContact O-CD2 3.14Å; Y218-F222 PolarHBondContact O-N 3.42Å; Y220-F222 VanDerWaalsContact C-N 3.34Å; Y220-F222 PolarHBondContact O-N 3.3Å; F222-E224 VanDerWaalsContact C-N 3.34Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.15Å; F222-V226 PolarHBondContact O-N 3.48Å; F222-V226 VanDerWaalsContact O-N 3.11Å; F222-R237 HydrophobicContact CD1-CG 4.23Å; F222-R237 HydrophobicContact CE1-CB 3.67Å; F222-R237 HydrophobicContact CE1-CG 3.52Å; F222-R237 HydrophobicContact CE2-CG 4.35Å; F222-R237 HydrophobicContact CZ-CB 4Å; F222-R237 HydrophobicContact CZ-CG 3.61Å; F222-F240 AromaticContact CZ-CD2 3.87Å; F222-F240 HydrophobicContact CZ-CD2 3.87Å; F222-F240 HydrophobicContact CZ-CE2 4.27Å; F222-F240 HydrophobicContact CZ-CG 4.27Å
223K90.3Very high88Confident160 Ų16061.9 Ų61.970%0.69630%0.302SS*.Hα-helixtrans-62.5-43.9172-175.8-177.3177.9-1730111A219 Y220 R227A219-K223 VanDerWaalsContact O-CB 3.28Å; A219-K223 WeakPolarHBondContact O-CB 3.42Å; A219-K223 PolarHBondContact O-N 2.85Å; Y220-K223 PolarHBondContact O-N 3.39Å; K223-R227 PolarHBondContact O-N 2.99Å; K223-R227 VanDerWaalsContact O-N 3.12Å
224E86.8Confident87.6Confident12 Ų1264.7 Ų64.76%0.05632%0.316CS..Hα-helixtrans-74.1-35.2179.5-16658.6-154.200112.1M190 Y220 V221 F222 V226 R227 Q228M190-E224 HydrophobicContact CE-CB 4.25Å; M190-E224 HydrophobicContact CE-CG 4.05Å; M190-E224 HydrophobicContact SD-CB 4.03Å; M190-E224 HydrophobicContact SD-CG 3.93Å; Y220-E224 WeakPolarHBondContact O-CB 3.19Å; Y220-E224 PolarHBondContact O-N 3.1Å; V221-E224 PolarHBondContact O-N 2.79Å; F222-E224 VanDerWaalsContact C-N 3.34Å; E224-V226 VanDerWaalsContact C-N 3.3Å; E224-V226 PolarHBondContact O-N 3.11Å; E224-R227 VanDerWaalsContact CD-NE 3.35Å; E224-R227 PolarHBondContact O-N 3.47Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 IonicContact OE1-CZ 2.74Å; E224-R227 IonicContact OE1-NE 2.87Å; E224-R227 PolarHBondContact OE1-NE 3.28Å; E224-R227 IonicContact OE1-NH2 2.68Å; E224-R227 PolarHBondContact OE1-NH2 2.77Å; E224-R227 IonicContact OE2-CZ 3.52Å; E224-R227 IonicContact OE2-NE 3.11Å; E224-R227 PolarHBondContact OE2-NE 2.88Å; E224-R227 VanDerWaalsContact OE2-NE 3.08Å; E224-R227 IonicContact OE2-NH2 3.08Å; E224-Q228 HydrophobicContact CG-CG 4.31Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.42Å; E224-Q228 PolarHBondContact O-N 3.42Å; E224-Q228 WeakPolarHBondContact OE1-CG 3.23Å; E224-Q228 PolarHBondContact OE1-NE2 3.05Å
225A87.1Confident87.3Confident0 Ų069.9 Ų69.90%034%0.341CS..Hα-helixtrans-61.3-37.6173.800000112.4V221 D229 N230 L233 L234V221-A225 VanDerWaalsContact O-CB 3.24Å; V221-A225 WeakPolarHBondContact O-CB 3.33Å; V221-A225 PolarHBondContact O-N 2.99Å; A225-D229 PolarHBondContact O-N 3.25Å; A225-D229 VanDerWaalsContact O-N 3.12Å; A225-N230 PolarHBondContact O-N 3.48Å; A225-L233 HydrophobicContact CB-CB 3.93Å; A225-L233 HydrophobicContact CB-CD1 4.09Å; A225-L234 HydrophobicContact CB-CD2 4.31Å; A225-L234 HydrophobicContact CB-CG 4.43Å
226V90Very high86.9Confident92 Ų9268.1 Ų68.156%0.55833%0.332SS*.Hα-helixtrans-70.2-37.6172.6173.50000111.2F222 E224 Q228 L234F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.15Å; F222-V226 PolarHBondContact O-N 3.48Å; F222-V226 VanDerWaalsContact O-N 3.11Å; E224-V226 VanDerWaalsContact C-N 3.3Å; E224-V226 PolarHBondContact O-N 3.11Å; V226-Q228 VanDerWaalsContact C-N 3.35Å; V226-L234 HydrophobicContact CG2-CD2 4.05Å
227R88Confident86.5Confident182 Ų18269.6 Ų69.669%0.68733%0.333SS*.Hα-helixtrans-66.4-36.8177.6-167.3178.881.3158.12.1112.8K223 E224K223-R227 PolarHBondContact O-N 2.99Å; K223-R227 VanDerWaalsContact O-N 3.12Å; E224-R227 VanDerWaalsContact CD-NE 3.35Å; E224-R227 PolarHBondContact O-N 3.47Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 IonicContact OE1-CZ 2.74Å; E224-R227 IonicContact OE1-NE 2.87Å; E224-R227 PolarHBondContact OE1-NE 3.28Å; E224-R227 IonicContact OE1-NH2 2.68Å; E224-R227 PolarHBondContact OE1-NH2 2.77Å; E224-R227 IonicContact OE2-CZ 3.52Å; E224-R227 IonicContact OE2-NE 3.11Å; E224-R227 PolarHBondContact OE2-NE 2.88Å; E224-R227 VanDerWaalsContact OE2-NE 3.08Å; E224-R227 IonicContact OE2-NH2 3.08Å
228Q84.1Confident86.2Confident101 Ų10174.4 Ų74.447%0.47236%0.364SS..THydrogen-bonded Turntrans-93.30.3-177.6-63.7-176.7500113.5E224 V226 N230E224-Q228 HydrophobicContact CG-CG 4.31Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.42Å; E224-Q228 PolarHBondContact O-N 3.42Å; E224-Q228 WeakPolarHBondContact OE1-CG 3.23Å; E224-Q228 PolarHBondContact OE1-NE2 3.05Å; V226-Q228 VanDerWaalsContact C-N 3.35Å; Q228-N230 PolarHBondContact O-N 3.03Å; Q228-N230 VanDerWaalsContact O-N 3.15Å
229D81.5Confident85.9Confident129 Ų12974.2 Ų74.269%0.6937%0.365SS*.THydrogen-bonded Turntrans46.939.3-172.2-77.9-37.8000113.5A225 K231A225-D229 PolarHBondContact O-N 3.25Å; A225-D229 VanDerWaalsContact O-N 3.12Å; D229-K231 PolarHBondContact O-N 3.16Å; D229-K231 VanDerWaalsContact O-N 3.07Å
230N79.1Confident85.7Confident38 Ų3872 Ų7220%0.20334%0.343CS..  trans-80.795.9-176.9-168.3-12.6000110.9A225 Q228 V232 L233 L234A225-N230 PolarHBondContact O-N 3.48Å; Q228-N230 PolarHBondContact O-N 3.03Å; Q228-N230 VanDerWaalsContact O-N 3.15Å; N230-V232 VanDerWaalsContact C-N 3.25Å; N230-V232 PolarHBondContact O-N 3.43Å; N230-V232 PolarHBondContact OD1-N 2.58Å; N230-L233 PolarHBondContact O-N 3.46Å; N230-L234 PolarHBondContact O-N 3.06Å
231K81.7Confident85.5Confident151 Ų15171.6 Ų71.666%0.65734%0.343SS*.Hα-helixtrans-55.3-37-177.9-64-175.3179-178.60113.5D229 L233 L234 E235D229-K231 PolarHBondContact O-N 3.16Å; D229-K231 VanDerWaalsContact O-N 3.07Å; K231-L233 VanDerWaalsContact C-N 3.34Å; K231-L233 PolarHBondContact O-N 3.37Å; K231-L234 PolarHBondContact O-N 2.97Å; K231-E235 WeakPolarHBondContact O-CB 3.25Å; K231-E235 VanDerWaalsContact O-CG 3.32Å; K231-E235 WeakPolarHBondContact O-CG 3.16Å; K231-E235 PolarHBondContact O-N 3.18Å
232V82.6Confident85.6Confident63 Ų6374.6 Ų74.638%0.38236%0.358SS..Hα-helixtrans-61.5-41.3-176.3-177.50000111.7F199 N230 N236F199-V232 HydrophobicContact CB-CG1 4.15Å; F199-V232 HydrophobicContact CD2-CG1 3.42Å; F199-V232 VanDerWaalsContact CD2-CG1 3.42Å; F199-V232 HydrophobicContact CE2-CG1 3.96Å; F199-V232 HydrophobicContact CG-CG1 3.87Å; N230-V232 VanDerWaalsContact C-N 3.25Å; N230-V232 PolarHBondContact O-N 3.43Å; N230-V232 PolarHBondContact OD1-N 2.58Å; V232-N236 WeakPolarHBondContact O-CB 3.44Å; V232-N236 PolarHBondContact O-N 3.48Å; V232-N236 PolarHBondContact O-ND2 3.13Å
233L80.8Confident85.6Confident2 Ų274.1 Ų74.11%0.0136%0.357CS..Hα-helixtrans-76.1-35.7179.1-73.6173.2000112.4M190 L194 F199 V221 A225 N230 K231 R237 F240M190-L233 HydrophobicContact CE-CD1 3.61Å; L194-L233 HydrophobicContact CD2-CD1 4.09Å; L194-L233 HydrophobicContact CD2-CD2 4.18Å; L194-L233 HydrophobicContact CD2-CG 4.03Å; F199-L233 HydrophobicContact CE1-CD2 3.92Å; F199-L233 HydrophobicContact CZ-CD2 3.63Å; V221-L233 HydrophobicContact CG1-CD1 4.31Å; A225-L233 HydrophobicContact CB-CB 3.93Å; A225-L233 HydrophobicContact CB-CD1 4.09Å; N230-L233 PolarHBondContact O-N 3.46Å; K231-L233 VanDerWaalsContact C-N 3.34Å; K231-L233 PolarHBondContact O-N 3.37Å; L233-R237 PolarHBondContact O-N 2.72Å; L233-F240 HydrophobicContact CD2-CE2 4.29Å; L233-F240 HydrophobicContact CD2-CZ 3.96Å
234L82.9Confident85.6Confident68 Ų6871.6 Ų71.636%0.35635%0.347SS..Hα-helixtrans-68.7-42.6179.8-68.4171.8000111.8A225 V226 N230 K231 R237A225-L234 HydrophobicContact CB-CD2 4.31Å; A225-L234 HydrophobicContact CB-CG 4.43Å; V226-L234 HydrophobicContact CG2-CD2 4.05Å; N230-L234 PolarHBondContact O-N 3.06Å; K231-L234 PolarHBondContact O-N 2.97Å; L234-R237 WeakPolarHBondContact O-CB 3.32Å; L234-R237 PolarHBondContact O-N 3.17Å
235E85.3Confident85.7Confident139 Ų13971 Ų7165%0.6534%0.344SS*.Hα-helixtrans-66.6-36.7176.9-71.8171.3-173.500112K231 R237K231-E235 WeakPolarHBondContact O-CB 3.25Å; K231-E235 VanDerWaalsContact O-CG 3.32Å; K231-E235 WeakPolarHBondContact O-CG 3.16Å; K231-E235 PolarHBondContact O-N 3.18Å; E235-R237 VanDerWaalsContact C-N 3.33Å; E235-R237 PolarHBondContact O-N 3.28Å
236N84.6Confident85.9Confident24 Ų2474.3 Ų74.313%0.12837%0.367CS..THydrogen-bonded Turntrans-91.112.4-178.7-67.8-64.7000114.3F199 V232 P238 K239 F240F199-N236 VanDerWaalsContact CB-ND2 3.35Å; F199-N236 WeakPolarHBondContact CB-ND2 3.11Å; F199-N236 HydrophobicContact CD1-CB 4.02Å; V232-N236 WeakPolarHBondContact O-CB 3.44Å; V232-N236 PolarHBondContact O-N 3.48Å; V232-N236 PolarHBondContact O-ND2 3.13Å; N236-P238 VanDerWaalsContact C-CD 3.4Å; N236-K239 HydrophobicContact CB-CD 4.19Å; N236-K239 HydrophobicContact CB-CG 4.45Å; N236-K239 WeakPolarHBondContact O-CB 3.49Å; N236-K239 PolarHBondContact O-N 3.48Å; N236-K239 WeakPolarHBondContact OD1-CD 3.43Å; N236-K239 WeakPolarHBondContact OD1-CE 3.4Å; N236-K239 PolarHBondContact OD1-NZ 2.61Å; N236-F240 WeakPolarHBondContact O-CD2 3.34Å
237R84.3Confident85.8Confident132 Ų13270.3 Ų70.350%0.49834%0.344SS..G310 helixtrans-48.4-45.3174.7-173.7167.9-168.1-167.32.3115F222 L233 L234 E235 K239 F240F222-R237 HydrophobicContact CD1-CG 4.23Å; F222-R237 HydrophobicContact CE1-CB 3.67Å; F222-R237 HydrophobicContact CE1-CG 3.52Å; F222-R237 HydrophobicContact CE2-CG 4.35Å; F222-R237 HydrophobicContact CZ-CB 4Å; F222-R237 HydrophobicContact CZ-CG 3.61Å; L233-R237 PolarHBondContact O-N 2.72Å; L234-R237 WeakPolarHBondContact O-CB 3.32Å; L234-R237 PolarHBondContact O-N 3.17Å; E235-R237 VanDerWaalsContact C-N 3.33Å; E235-R237 PolarHBondContact O-N 3.28Å; R237-K239 PolarHBondContact O-N 2.91Å; R237-F240 PolarHBondContact O-N 3.31Å
238P85.1Confident85.8Confident103 Ų10361.7 Ų61.767%0.66931%0.311SS*.G310 helixtrans-69.1-14.1-179.128-35.7000113.8N236 F240N236-P238 VanDerWaalsContact C-CD 3.4Å; P238-F240 VanDerWaalsContact C-N 3.32Å
239K86.3Confident86Confident52 Ų5260.7 Ų60.723%0.22631%0.306CS..G310 helixtrans-77.5-17.7176.8-59.3-169.9178.2-171.60112.8F199 V202 C204 I205 N236 R237F199-K239 PolarHBondContact O-NZ 3.01Å; V202-K239 PolarHBondContact O-NZ 3.3Å; C204-K239 PolarHBondContact SG-O 3.35Å; C204-K239 VanDerWaalsContact SG-O 3.41Å; I205-K239 PolarHBondContact N-O 3.43Å; N236-K239 HydrophobicContact CB-CD 4.19Å; N236-K239 HydrophobicContact CB-CG 4.45Å; N236-K239 WeakPolarHBondContact O-CB 3.49Å; N236-K239 PolarHBondContact O-N 3.48Å; N236-K239 WeakPolarHBondContact OD1-CD 3.43Å; N236-K239 WeakPolarHBondContact OD1-CE 3.4Å; N236-K239 PolarHBondContact OD1-NZ 2.61Å; R237-K239 PolarHBondContact O-N 2.91Å
240F88.3Confident86Confident15 Ų1558 Ų587%0.06629%0.288CS..EExtended strand (participates in β ladder)trans-81.3122.7179.1-74.2-94.3000110.8F199 I205 V207 Y218 F222 L233 N236 R237 P238F199-F240 HydrophobicContact CE1-CE2 4.32Å; F199-F240 HydrophobicContact CE1-CZ 4.06Å; I205-F240 HydrophobicContact CB-CD1 4.14Å; I205-F240 HydrophobicContact CB-CE1 4.3Å; I205-F240 HydrophobicContact CB-CG 4.49Å; I205-F240 HydrophobicContact CD1-CE1 4.05Å; I205-F240 HydrophobicContact CD1-CE2 4.06Å; I205-F240 HydrophobicContact CD1-CZ 3.77Å; I205-F240 HydrophobicContact CG2-CD1 3.97Å; I205-F240 HydrophobicContact CG2-CE1 3.89Å; I205-F240 WeakPolarHBondContact O-CA 3.01Å; V207-F240 HydrophobicContact CG2-CD1 3.87Å; Y218-F240 HydrophobicContact CD2-CB 4.26Å; Y218-F240 HydrophobicContact CE2-CB 3.73Å; F222-F240 AromaticContact CZ-CD2 3.87Å; F222-F240 HydrophobicContact CZ-CD2 3.87Å; F222-F240 HydrophobicContact CZ-CE2 4.27Å; F222-F240 HydrophobicContact CZ-CG 4.27Å; L233-F240 HydrophobicContact CD2-CE2 4.29Å; L233-F240 HydrophobicContact CD2-CZ 3.96Å; N236-F240 WeakPolarHBondContact O-CD2 3.34Å; R237-F240 PolarHBondContact O-N 3.31Å; P238-F240 VanDerWaalsContact C-N 3.32Å
241M88.1Confident86.2Confident21 Ų2163 Ų6310%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-120.1133.8176.8-70.9-174.561.900110.7C204 I205 L206 V207 R265C204-M241 PolarHBondContact SG-SD 3.39Å; I205-M241 PolarHBondContact O-N 3.5Å; L206-M241 HydrophobicContact CD2-CB 4.11Å; V207-M241 PolarHBondContact N-O 3.43Å; M241-R265 HydrophobicContact CE-CG 4.3Å; M241-R265 VanDerWaalsContact SD-CD 3.58Å; M241-R265 HydrophobicContact SD-CG 4.44Å
242L90.9Very high86.4Confident66 Ų6655.9 Ų55.935%0.34628%0.275SS..EExtended strand (participates in β ladder)trans-94124.5178.6-57.6174.7000109.2V207 K214 D215 Y218V207-L242 HydrophobicContact CB-CD2 4.09Å; V207-L242 HydrophobicContact CG1-CD2 4.21Å; V207-L242 WeakPolarHBondContact O-CA 3.37Å; K214-L242 HydrophobicContact CB-CD2 4.22Å; K214-L242 HydrophobicContact CD-CB 4.29Å; K214-L242 HydrophobicContact CG-CD2 4.48Å; D215-L242 WeakPolarHBondContact OD1-CD1 3.16Å; Y218-L242 HydrophobicContact CD2-CD1 4.38Å; Y218-L242 HydrophobicContact CD2-CD2 3.75Å; Y218-L242 HydrophobicContact CD2-CG 4.24Å; Y218-L242 HydrophobicContact CG-CD1 4.24Å; Y218-L242 HydrophobicContact CG-CD2 4Å
243V90.3Very high86.5Confident6 Ų652.9 Ų52.94%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-128.3147.6-178-1670000109.8L206 V207 A208 K214 I256 D259 V262L206-V243 HydrophobicContact CD2-CG2 4.2Å; V207-V243 PolarHBondContact O-N 3.08Å; A208-V243 VanDerWaalsContact CA-O 3.31Å; A208-V243 WeakPolarHBondContact CA-O 3.3Å; A208-V243 HydrophobicContact CB-CB 4.34Å; K214-V243 WeakPolarHBondContact CD-O 3.4Å; V243-I256 HydrophobicContact CB-CG2 4.13Å; V243-I256 HydrophobicContact CG1-CB 4.41Å; V243-I256 HydrophobicContact CG1-CG1 4.41Å; V243-I256 HydrophobicContact CG1-CG2 3.95Å; V243-I256 HydrophobicContact CG2-CG2 4.28Å; V243-D259 HydrophobicContact CG1-CB 4.25Å; V243-V262 HydrophobicContact CB-CG2 4.29Å; V243-V262 HydrophobicContact CG1-CG2 3.79Å; V243-V262 HydrophobicContact CG2-CG2 3.42Å; V243-V262 VanDerWaalsContact CG2-CG2 3.42Å
244H90.9Very high86.5Confident107 Ų10755 Ų5550%0.49527%0.266SS..EExtended strand (participates in β ladder)trans-75.6143.6172180-92.7000110.4E255H244-E255 IonicContact ND1-OE1 3.37Å
245S89.2Confident86.7Confident0 Ų055.2 Ų55.20%027%0.265CS..  trans-139148.5166.668.60000111.8S209 P210 S247S209-S245 CarbonylContact C-O 3.45Å; S209-S245 VanDerWaalsContact C-OG 3.24Å; S209-S245 WeakPolarHBondContact CA-OG 3.5Å; S209-S245 PolarHBondContact N-OG 3.4Å; S209-S245 PolarHBondContact O-N 2.74Å; P210-S245 WeakPolarHBondContact CA-O 3.38Å; P210-S245 WeakPolarHBondContact CB-O 3.49Å; S245-S247 PolarHBondContact OG-O 2.93Å; S245-S247 VanDerWaalsContact OG-O 3.07Å
246S89.6Confident86.7Confident69 Ų6948.7 Ų48.748%0.48323%0.234SC..SBendtrans-66-34.8175.353.20000113.2E255S246-E255 WeakPolarHBondContact CB-OE2 3.43Å; S246-E255 PolarHBondContact N-OE1 3.32Å; S246-E255 PolarHBondContact N-OE2 3.48Å; S246-E255 PolarHBondContact OG-OE2 3.36Å
247S88.9Confident86.6Confident9 Ų948 Ų486%0.06323%0.23CC..  trans-150.1173.4179.588.20000113.3V141 S245 H249 Y251 S252V141-S247 WeakPolarHBondContact CG1-O 3.41Å; S245-S247 PolarHBondContact OG-O 2.93Å; S245-S247 VanDerWaalsContact OG-O 3.07Å; S247-H249 VanDerWaalsContact C-N 3.35Å; S247-H249 PolarHBondContact OG-CD2 3.35Å; S247-H249 PolarHBondContact OG-N 3.29Å; S247-Y251 WeakPolarHBondContact CB-OH 3.34Å; S247-Y251 VanDerWaalsContact OG-CE2 3.31Å; S247-Y251 WeakPolarHBondContact OG-CE2 3.41Å; S247-Y251 PolarHBondContact OG-OH 3.48Å; S247-S252 PolarHBondContact N-OG 3.3Å; S247-S252 VanDerWaalsContact O-CB 3.28Å; S247-S252 WeakPolarHBondContact O-CB 3.44Å; S247-S252 PolarHBondContact O-OG 3.25Å; S247-S252 PolarHBondContact OG-OG 2.84Å
248G87.5Confident86.4Confident0 Ų043.1 Ų43.10%022%0.217CC..SBendtrans-82.51.7176.200000115.9N148N148-G248 PolarHBondContact ND2-O 3.45Å
249H88.1Confident86.3Confident81 Ų8140.8 Ų40.838%0.37520%0.198SC..SBendtrans-91.8168-170.6-64.2-77.7000113.6L146 S247 Y251 S252L146-H249 VanDerWaalsContact CD2-CE1 3.5Å; L146-H249 WeakPolarHBondContact CD2-CE1 3.46Å; L146-H249 WeakPolarHBondContact CD2-ND1 3.21Å; S247-H249 VanDerWaalsContact C-N 3.35Å; S247-H249 PolarHBondContact OG-CD2 3.35Å; S247-H249 PolarHBondContact OG-N 3.29Å; H249-Y251 VanDerWaalsContact C-N 3.28Å; H249-Y251 HydrophobicContact CB-CD1 3.64Å; H249-Y251 HydrophobicContact CB-CE1 3.33Å; H249-Y251 HydrophobicContact CB-CG 4.49Å; H249-Y251 AromaticContact CD2-CE1 3.94Å; H249-Y251 AromaticContact CG-CE1 3.83Å; H249-Y251 PolarHBondContact O-N 3.02Å; H249-S252 WeakPolarHBondContact O-CB 3.45Å; H249-S252 PolarHBondContact O-N 2.93Å; H249-S252 VanDerWaalsContact O-N 3.15Å; H249-S252 PolarHBondContact O-OG 3.46Å
250K81.4Confident86.1Confident71 Ų7143 Ų4331%0.30922%0.218SC..THydrogen-bonded Turntrans-54.6-38.6-179.2-173.8-174.1177.2-164.60113.2S252 L253 E354K250-S252 PolarHBondContact O-N 2.89Å; K250-L253 WeakPolarHBondContact O-CB 3.32Å; K250-L253 PolarHBondContact O-N 3.2Å; K250-L253 VanDerWaalsContact O-N 3.15Å; K250-E354 IonicContact NZ-OE1 2.7Å; K250-E354 PolarHBondContact NZ-OE1 2.79Å; K250-E354 IonicContact NZ-OE2 2.7Å
251Y82.8Confident85.7Confident144 Ų14444.9 Ų44.957%0.56524%0.237SC*.THydrogen-bonded Turntrans-64.9-26.5-177.262.8-101.9000113.2S247 H249 L253 K254S247-Y251 WeakPolarHBondContact CB-OH 3.34Å; S247-Y251 VanDerWaalsContact OG-CE2 3.31Å; S247-Y251 WeakPolarHBondContact OG-CE2 3.41Å; S247-Y251 PolarHBondContact OG-OH 3.48Å; H249-Y251 VanDerWaalsContact C-N 3.28Å; H249-Y251 HydrophobicContact CB-CD1 3.64Å; H249-Y251 HydrophobicContact CB-CE1 3.33Å; H249-Y251 HydrophobicContact CB-CG 4.49Å; H249-Y251 AromaticContact CD2-CE1 3.94Å; H249-Y251 AromaticContact CG-CE1 3.83Å; H249-Y251 PolarHBondContact O-N 3.02Å; Y251-L253 PolarHBondContact O-N 3.19Å; Y251-K254 WeakPolarHBondContact O-CB 3.45Å; Y251-K254 PolarHBondContact O-N 2.84Å; Y251-K254 VanDerWaalsContact O-N 3.15Å
252S86.8Confident85.3Confident1 Ų143.9 Ų43.91%0.00723%0.232CC..Hα-helixtrans-65.5-19.7177.6-52.60000112.9S247 H249 K250 K254 E255 I256S247-S252 PolarHBondContact N-OG 3.3Å; S247-S252 VanDerWaalsContact O-CB 3.28Å; S247-S252 WeakPolarHBondContact O-CB 3.44Å; S247-S252 PolarHBondContact O-OG 3.25Å; S247-S252 PolarHBondContact OG-OG 2.84Å; H249-S252 WeakPolarHBondContact O-CB 3.45Å; H249-S252 PolarHBondContact O-N 2.93Å; H249-S252 VanDerWaalsContact O-N 3.15Å; H249-S252 PolarHBondContact O-OG 3.46Å; K250-S252 PolarHBondContact O-N 2.89Å; S252-K254 PolarHBondContact O-N 3.17Å; S252-E255 WeakPolarHBondContact O-CB 3.34Å; S252-E255 PolarHBondContact O-N 3.04Å; S252-E255 VanDerWaalsContact O-N 3.12Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 VanDerWaalsContact O-CG1 3.29Å; S252-I256 WeakPolarHBondContact O-CG1 3.09Å; S252-I256 PolarHBondContact O-N 3.07Å; S252-I256 VanDerWaalsContact O-N 3.12Å
253L84.1Confident84.5Confident1 Ų142.7 Ų42.71%0.00523%0.227CC..Hα-helixtrans-58.7-30.5174.5-164.4145.6000111.9A139 V150 V152 T157 K250 Y251 I256 L257 V351A139-L253 HydrophobicContact CB-CD1 3.76Å; A139-L253 HydrophobicContact CB-CG 4.39Å; V150-L253 HydrophobicContact CB-CD1 3.85Å; V150-L253 HydrophobicContact CG1-CD1 3.62Å; V150-L253 HydrophobicContact CG2-CD1 4.19Å; V152-L253 HydrophobicContact CG2-CD1 3.93Å; V152-L253 HydrophobicContact CG2-CD2 3.91Å; V152-L253 HydrophobicContact CG2-CG 4.43Å; T157-L253 HydrophobicContact CG2-CD1 4.21Å; T157-L253 HydrophobicContact CG2-CD2 4.45Å; K250-L253 WeakPolarHBondContact O-CB 3.32Å; K250-L253 PolarHBondContact O-N 3.2Å; K250-L253 VanDerWaalsContact O-N 3.15Å; Y251-L253 PolarHBondContact O-N 3.19Å; L253-I256 PolarHBondContact O-N 2.89Å; L253-L257 HydrophobicContact CD2-CD1 3.5Å; L253-L257 VanDerWaalsContact CD2-CD1 3.5Å; L253-L257 HydrophobicContact CD2-CG 4Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.16Å; L253-L257 VanDerWaalsContact O-N 3.1Å; L253-V351 HydrophobicContact CD2-CG2 4.18Å
254K82.1Confident83.9Confident46 Ų4646.2 Ų46.220%0.225%0.252CS..Hα-helixtrans-60.6-52172.7179.9-175171.9-179.40111.6Y251 S252 I256 L257 C258 V351Y251-K254 WeakPolarHBondContact O-CB 3.45Å; Y251-K254 PolarHBondContact O-N 2.84Å; Y251-K254 VanDerWaalsContact O-N 3.15Å; S252-K254 PolarHBondContact O-N 3.17Å; K254-I256 VanDerWaalsContact C-N 3.26Å; K254-I256 PolarHBondContact O-N 3.31Å; K254-L257 PolarHBondContact O-N 2.76Å; K254-C258 PolarHBondContact O-N 3.43Å; K254-C258 VanDerWaalsContact O-N 3.11Å; K254-V351 HydrophobicContact CB-CG1 4.03Å
255E85.4Confident83.1Confident73 Ų7349.2 Ų49.234%0.34126%0.259SS..Hα-helixtrans-58.5-43.1-179.1-174.3-171.6165.300110.7H244 S246 S252 L257 C258 D259H244-E255 IonicContact ND1-OE1 3.37Å; S246-E255 WeakPolarHBondContact CB-OE2 3.43Å; S246-E255 PolarHBondContact N-OE1 3.32Å; S246-E255 PolarHBondContact N-OE2 3.48Å; S246-E255 PolarHBondContact OG-OE2 3.36Å; S252-E255 WeakPolarHBondContact O-CB 3.34Å; S252-E255 PolarHBondContact O-N 3.04Å; S252-E255 VanDerWaalsContact O-N 3.12Å; E255-L257 PolarHBondContact O-N 3.17Å; E255-C258 PolarHBondContact O-N 3.06Å; E255-D259 PolarHBondContact O-N 2.96Å
256I86.3Confident82.3Confident1 Ų149.6 Ų49.61%0.00526%0.261CS..Hα-helixtrans-62.4-41.3179.8-65.1157.8000111.4V141 L206 A208 V243 S252 L253 K254 D259 V262V141-I256 HydrophobicContact CG1-CD1 4.21Å; V141-I256 HydrophobicContact CG2-CD1 3.75Å; L206-I256 HydrophobicContact CB-CG2 4.35Å; L206-I256 HydrophobicContact CD1-CG2 3.92Å; A208-I256 HydrophobicContact CB-CD1 3.12Å; A208-I256 HydrophobicContact CB-CG1 3.62Å; A208-I256 HydrophobicContact CB-CG2 4.47Å; V243-I256 HydrophobicContact CB-CG2 4.13Å; V243-I256 HydrophobicContact CG1-CB 4.41Å; V243-I256 HydrophobicContact CG1-CG1 4.41Å; V243-I256 HydrophobicContact CG1-CG2 3.95Å; V243-I256 HydrophobicContact CG2-CG2 4.28Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 VanDerWaalsContact O-CG1 3.29Å; S252-I256 WeakPolarHBondContact O-CG1 3.09Å; S252-I256 PolarHBondContact O-N 3.07Å; S252-I256 VanDerWaalsContact O-N 3.12Å; L253-I256 PolarHBondContact O-N 2.89Å; K254-I256 VanDerWaalsContact C-N 3.26Å; K254-I256 PolarHBondContact O-N 3.31Å; I256-D259 PolarHBondContact O-N 3.35Å; I256-V262 WeakPolarHBondContact O-CB 3.35Å; I256-V262 WeakPolarHBondContact O-CG1 3.43Å; I256-V262 WeakPolarHBondContact O-CG2 3.5Å
257L83.2Confident81.2Confident9 Ų950.1 Ų50.15%0.04726%0.264CS..Hα-helixtrans-74.3-25.7179.6-68.9179.6000113.2L206 L253 K254 E255 T263 V275L206-L257 HydrophobicContact CD1-CD2 4.1Å; L253-L257 HydrophobicContact CD2-CD1 3.5Å; L253-L257 VanDerWaalsContact CD2-CD1 3.5Å; L253-L257 HydrophobicContact CD2-CG 4Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.16Å; L253-L257 VanDerWaalsContact O-N 3.1Å; K254-L257 PolarHBondContact O-N 2.76Å; E255-L257 PolarHBondContact O-N 3.17Å; L257-T263 PolarHBondContact O-OG1 2.75Å; L257-V275 HydrophobicContact CB-CG1 4.37Å; L257-V275 HydrophobicContact CB-CG2 4.22Å; L257-V275 HydrophobicContact CD1-CG2 4.11Å
258C79.7Confident80.1Confident31 Ų3156.4 Ų56.421%0.20930%0.298CS..Hα-helixtrans-74.9-22174.3-78.50000113.5K254 E255 P260 V275 E279K254-C258 PolarHBondContact O-N 3.43Å; K254-C258 VanDerWaalsContact O-N 3.11Å; E255-C258 PolarHBondContact O-N 3.06Å; C258-P260 WeakPolarHBondContact O-CD 3.28Å; C258-V275 HydrophobicContact CB-CG1 4.39Å; C258-V275 WeakPolarHBondContact SG-CG1 3.39Å; C258-E279 PolarHBondContact SG-OE2 3.38Å
259D83.6Confident79.4Confident53 Ų5357 Ų5728%0.28330%0.301SS..  trans-61.7123.5-174.9-171.6-23.2000110.7V243 E255 I256 A261 V262 T263V243-D259 HydrophobicContact CG1-CB 4.25Å; E255-D259 PolarHBondContact O-N 2.96Å; I256-D259 PolarHBondContact O-N 3.35Å; D259-A261 PolarHBondContact O-N 3.06Å; D259-A261 PolarHBondContact OD1-N 3.44Å; D259-A261 VanDerWaalsContact OD1-N 3.11Å; D259-V262 HydrophobicContact CB-CB 4.35Å; D259-V262 HydrophobicContact CB-CG2 4.12Å; D259-V262 CarbonylContact O-C 3.57Å; D259-V262 WeakPolarHBondContact O-CA 3.43Å; D259-V262 WeakPolarHBondContact O-CB 3.31Å; D259-V262 PolarHBondContact O-N 3.3Å; D259-T263 PolarHBondContact O-N 3.01Å; D259-T263 PolarHBondContact O-OG1 2.76Å; D259-T263 VanDerWaalsContact O-OG1 3.05Å
260P80.9Confident78.9Confident99 Ų9956 Ų5664%0.64330%0.296SS*.Hα-helixtrans-53.9-31.6-179-26.833.4000114.4C258 V262 T263 S264C258-P260 WeakPolarHBondContact O-CD 3.28Å; P260-V262 PolarHBondContact O-N 3.18Å; P260-T263 PolarHBondContact O-N 3.43Å; P260-S264 WeakPolarHBondContact O-CB 3.48Å; P260-S264 PolarHBondContact O-N 2.85Å; P260-S264 PolarHBondContact O-OG 3.26Å
261A80.5Confident78.6Confident55 Ų5552.7 Ų52.746%0.45528%0.281SS..Hα-helixtrans-63.5-33.8176.800000112D259 S264D259-A261 PolarHBondContact O-N 3.06Å; D259-A261 PolarHBondContact OD1-N 3.44Å; D259-A261 VanDerWaalsContact OD1-N 3.11Å; A261-S264 PolarHBondContact O-OG 3.37Å
262V78.3Confident78.4Confident0 Ų046.2 Ų46.20%026%0.258CS..Hα-helixtrans-82.9-48.4178.1177.60000109.3L206 V243 I256 D259 P260 S264 R265 L266L206-V262 HydrophobicContact CD1-CG1 3.93Å; L206-V262 HydrophobicContact CD2-CG1 3.98Å; L206-V262 HydrophobicContact CD2-CG2 4.32Å; V243-V262 HydrophobicContact CB-CG2 4.29Å; V243-V262 HydrophobicContact CG1-CG2 3.79Å; V243-V262 HydrophobicContact CG2-CG2 3.42Å; V243-V262 VanDerWaalsContact CG2-CG2 3.42Å; I256-V262 WeakPolarHBondContact O-CB 3.35Å; I256-V262 WeakPolarHBondContact O-CG1 3.43Å; I256-V262 WeakPolarHBondContact O-CG2 3.5Å; D259-V262 HydrophobicContact CB-CB 4.35Å; D259-V262 HydrophobicContact CB-CG2 4.12Å; D259-V262 CarbonylContact O-C 3.57Å; D259-V262 WeakPolarHBondContact O-CA 3.43Å; D259-V262 WeakPolarHBondContact O-CB 3.31Å; D259-V262 PolarHBondContact O-N 3.3Å; P260-V262 PolarHBondContact O-N 3.18Å; V262-S264 VanDerWaalsContact C-N 3.31Å; V262-S264 PolarHBondContact O-N 3.11Å; V262-R265 PolarHBondContact O-N 2.78Å; V262-R265 VanDerWaalsContact O-N 3.13Å; V262-L266 HydrophobicContact CB-CD1 4.33Å; V262-L266 HydrophobicContact CG1-CD1 3.15Å; V262-L266 HydrophobicContact CG1-CG 4.47Å; V262-L266 WeakPolarHBondContact O-CB 3.36Å; V262-L266 PolarHBondContact O-N 2.99Å
263T75.3Confident78.1Confident41 Ų4147.2 Ų47.225%0.25227%0.269SS..Hα-helixtrans-59.2-36.9-178.8-45.40000113.1L257 D259 P260 R265 L266 S267L257-T263 PolarHBondContact O-OG1 2.75Å; D259-T263 PolarHBondContact O-N 3.01Å; D259-T263 PolarHBondContact O-OG1 2.76Å; D259-T263 VanDerWaalsContact O-OG1 3.05Å; P260-T263 PolarHBondContact O-N 3.43Å; T263-R265 VanDerWaalsContact C-N 3.29Å; T263-R265 PolarHBondContact O-N 3.3Å; T263-L266 CarbonylContact O-C 3.51Å; T263-L266 PolarHBondContact O-N 3.04Å; T263-S267 WeakPolarHBondContact O-CA 3.28Å; T263-S267 WeakPolarHBondContact O-CB 3.47Å; T263-S267 PolarHBondContact O-N 3.5Å
264S78.2Confident78.1Confident80 Ų8047.5 Ų47.556%0.55927%0.27SS*.Hα-helixtrans-60.4-38.6178.160.50000112.7P260 A261 V262 S267P260-S264 WeakPolarHBondContact O-CB 3.48Å; P260-S264 PolarHBondContact O-N 2.85Å; P260-S264 PolarHBondContact O-OG 3.26Å; A261-S264 PolarHBondContact O-OG 3.37Å; V262-S264 VanDerWaalsContact C-N 3.31Å; V262-S264 PolarHBondContact O-N 3.11Å; S264-S267 PolarHBondContact O-OG 2.69Å; S264-S267 VanDerWaalsContact O-OG 3.08Å
265R73.6Confident78.3Confident170 Ų17045.6 Ų45.664%0.64226%0.262SS*.Hα-helixtrans-86.4-23.9178.4-59.2-155-157.4-168.71.1113.8M241 V262 T263M241-R265 HydrophobicContact CE-CG 4.3Å; M241-R265 VanDerWaalsContact SD-CD 3.58Å; M241-R265 HydrophobicContact SD-CG 4.44Å; V262-R265 PolarHBondContact O-N 2.78Å; V262-R265 VanDerWaalsContact O-N 3.13Å; T263-R265 VanDerWaalsContact C-N 3.29Å; T263-R265 PolarHBondContact O-N 3.3Å
266L72.1Confident78.3Confident8 Ų847.8 Ų47.84%0.04227%0.27CS..SBendtrans-103.917.2-178.8-75.8150.1000112.7V137 L206 V262 T263 D268 T269 A272V137-L266 HydrophobicContact CB-CD2 4.25Å; V137-L266 HydrophobicContact CG1-CD1 4.48Å; V137-L266 HydrophobicContact CG1-CD2 3.98Å; V137-L266 HydrophobicContact CG2-CD2 3.24Å; L206-L266 HydrophobicContact CD1-CD1 4.14Å; L206-L266 HydrophobicContact CD2-CD1 4.13Å; V262-L266 HydrophobicContact CB-CD1 4.33Å; V262-L266 HydrophobicContact CG1-CD1 3.15Å; V262-L266 HydrophobicContact CG1-CG 4.47Å; V262-L266 WeakPolarHBondContact O-CB 3.36Å; V262-L266 PolarHBondContact O-N 2.99Å; T263-L266 CarbonylContact O-C 3.51Å; T263-L266 PolarHBondContact O-N 3.04Å; L266-D268 PolarHBondContact O-N 3.18Å; L266-T269 WeakPolarHBondContact O-CB 3.34Å; L266-T269 PolarHBondContact O-N 3.17Å; L266-A272 WeakPolarHBondContact O-CB 3.49Å
267S65.3Low78.5Confident79 Ų7948 Ų4855%0.55227%0.272SS*.THydrogen-bonded Turntrans-60-28.5-177.744.90000112.4T263 S264 T269T263-S267 WeakPolarHBondContact O-CA 3.28Å; T263-S267 WeakPolarHBondContact O-CB 3.47Å; T263-S267 PolarHBondContact O-N 3.5Å; S264-S267 PolarHBondContact O-OG 2.69Å; S264-S267 VanDerWaalsContact O-OG 3.08Å; S267-T269 VanDerWaalsContact C-N 3.29Å; S267-T269 PolarHBondContact O-N 2.76Å
268D67.5Low78.8Confident142 Ų14247.8 Ų47.876%0.75927%0.271SS*.THydrogen-bonded Turntrans-80.6-3.6176.8-60.1-29.5000113.7L266L266-D268 PolarHBondContact O-N 3.18Å
269T72.8Confident79.2Confident11 Ų1149 Ų497%0.06727%0.274CS..  trans-95.7129-176.7-52.40000111.5V137 L266 S267 A271 A272 G273V137-T269 HydrophobicContact CG2-CG2 4.28Å; L266-T269 WeakPolarHBondContact O-CB 3.34Å; L266-T269 PolarHBondContact O-N 3.17Å; S267-T269 VanDerWaalsContact C-N 3.29Å; S267-T269 PolarHBondContact O-N 2.76Å; T269-A271 HydrophobicContact CG2-CB 4.04Å; T269-A271 PolarHBondContact O-N 3.31Å; T269-A272 WeakPolarHBondContact O-CB 3.33Å; T269-A272 PolarHBondContact O-N 3.35Å; T269-G273 PolarHBondContact O-N 3.06Å
270K76Confident79.5Confident61 Ų6149.2 Ų49.227%0.26528%0.275SS..Hα-helixtrans-50.9-41.6176.4-176.8176.2175177.20113.2P154 A272 G273 E274P154-K270 HydrophobicContact CB-CB 4.32Å; P154-K270 HydrophobicContact CB-CD 4.43Å; K270-A272 VanDerWaalsContact C-N 3.3Å; K270-A272 PolarHBondContact O-N 2.66Å; K270-G273 WeakPolarHBondContact O-CA 3.46Å; K270-G273 PolarHBondContact O-N 3.45Å; K270-E274 WeakPolarHBondContact CE-OE1 3.41Å; K270-E274 PolarHBondContact O-N 2.96Å
271A75.3Confident80Confident1 Ų144.6 Ų44.61%0.00825%0.245CC..Hα-helixtrans-56.9-38.8178.800000113.3V152 T269 E274 V275V152-A271 HydrophobicContact CG1-CB 3.96Å; T269-A271 HydrophobicContact CG2-CB 4.04Å; T269-A271 PolarHBondContact O-N 3.31Å; A271-E274 PolarHBondContact O-N 3.48Å; A271-V275 VanDerWaalsContact O-CG2 3.3Å; A271-V275 WeakPolarHBondContact O-CG2 3.43Å; A271-V275 PolarHBondContact O-N 3.19Å
272A78.7Confident80.5Confident8 Ų845.2 Ų45.27%0.06624%0.236CC..Hα-helixtrans-67.6-38.3176.800000111.3L266 T269 K270 K276L266-A272 WeakPolarHBondContact O-CB 3.49Å; T269-A272 WeakPolarHBondContact O-CB 3.33Å; T269-A272 PolarHBondContact O-N 3.35Å; K270-A272 VanDerWaalsContact C-N 3.3Å; K270-A272 PolarHBondContact O-N 2.66Å; A272-K276 WeakPolarHBondContact O-CB 3.29Å; A272-K276 PolarHBondContact O-N 2.83Å
273G81.1Confident81.1Confident23 Ų2349.2 Ų49.224%0.23725%0.253CS..Hα-helixtrans-62.5-43.8174.400000112.9T269 K270 K276 A277 R344T269-G273 PolarHBondContact O-N 3.06Å; K270-G273 WeakPolarHBondContact O-CA 3.46Å; K270-G273 PolarHBondContact O-N 3.45Å; G273-K276 PolarHBondContact O-N 2.7Å; G273-A277 PolarHBondContact O-N 3.3Å; G273-R344 VanDerWaalsContact C-NH1 3.28Å; G273-R344 PolarHBondContact O-NH1 3.23Å
274E84.9Confident81.8Confident7 Ų749.4 Ų49.43%0.03325%0.252CS..Hα-helixtrans-63.3-47.2176.9-73.3-174-169.400112K270 A271 K276 A277 L278 F346 H350 S352K270-E274 WeakPolarHBondContact CE-OE1 3.41Å; K270-E274 PolarHBondContact O-N 2.96Å; A271-E274 PolarHBondContact O-N 3.48Å; E274-K276 VanDerWaalsContact C-N 3.32Å; E274-K276 PolarHBondContact O-N 3.05Å; E274-A277 PolarHBondContact O-N 3.33Å; E274-L278 PolarHBondContact O-N 2.84Å; E274-F346 HydrophobicContact CB-CD1 3.99Å; E274-F346 HydrophobicContact CB-CE1 3.59Å; E274-F346 HydrophobicContact CB-CZ 4.33Å; E274-F346 HydrophobicContact CG-CD1 4.16Å; E274-F346 HydrophobicContact CG-CE1 4.06Å; E274-F346 VanDerWaalsContact O-CE1 3.28Å; E274-F346 WeakPolarHBondContact O-CE1 3.29Å; E274-H350 IonicContact OE2-ND1 2.66Å; E274-S352 PolarHBondContact OE2-OG 3.05Å
275V85.1Confident82.4Confident5 Ų548.7 Ų48.73%0.0324%0.241CC..Hα-helixtrans-60.9-43.5178.4170.30000111L257 C258 A271 L278 E279L257-V275 HydrophobicContact CB-CG1 4.37Å; L257-V275 HydrophobicContact CB-CG2 4.22Å; L257-V275 HydrophobicContact CD1-CG2 4.11Å; C258-V275 HydrophobicContact CB-CG1 4.39Å; C258-V275 WeakPolarHBondContact SG-CG1 3.39Å; A271-V275 VanDerWaalsContact O-CG2 3.3Å; A271-V275 WeakPolarHBondContact O-CG2 3.43Å; A271-V275 PolarHBondContact O-N 3.19Å; V275-L278 PolarHBondContact O-N 3.42Å; V275-E279 PolarHBondContact O-N 3.27Å
276K86.4Confident83.2Confident119 Ų11947.8 Ų47.852%0.51724%0.244SC..Hα-helixtrans-60.9-46.4176.5-177.5177.6177.9-178.70112.5A272 G273 E274 L278 E279 D280A272-K276 WeakPolarHBondContact O-CB 3.29Å; A272-K276 PolarHBondContact O-N 2.83Å; G273-K276 PolarHBondContact O-N 2.7Å; E274-K276 VanDerWaalsContact C-N 3.32Å; E274-K276 PolarHBondContact O-N 3.05Å; K276-L278 VanDerWaalsContact C-N 3.25Å; K276-L278 PolarHBondContact O-N 3.45Å; K276-E279 PolarHBondContact O-N 2.95Å; K276-E279 VanDerWaalsContact O-N 3.17Å; K276-D280 WeakPolarHBondContact O-CB 3.11Å; K276-D280 VanDerWaalsContact O-CG 3.26Å; K276-D280 PolarHBondContact O-N 3.48Å
277A89.6Confident84Confident6 Ų654.6 Ų54.65%0.0528%0.276CS..Hα-helixtrans-61.4-36.2-179.400000112.5G273 E274 F281 L312 F346G273-A277 PolarHBondContact O-N 3.3Å; E274-A277 PolarHBondContact O-N 3.33Å; A277-F281 PolarHBondContact O-N 2.79Å; A277-L312 HydrophobicContact CB-CD2 3.91Å; A277-F346 HydrophobicContact CB-CZ 4.24Å
278L88.9Confident84.9Confident4 Ų455 Ų552%0.02127%0.269CS..Hα-helixtrans-76.1-32.5177.5-170.6142.6000112.3E274 V275 K276 Y282 F346 S352 Q355 L356E274-L278 PolarHBondContact O-N 2.84Å; V275-L278 PolarHBondContact O-N 3.42Å; K276-L278 VanDerWaalsContact C-N 3.25Å; K276-L278 PolarHBondContact O-N 3.45Å; L278-Y282 HydrophobicContact CD2-CD2 3.79Å; L278-Y282 HydrophobicContact CD2-CE2 3.4Å; L278-Y282 HydrophobicContact CG-CE2 4.2Å; L278-Y282 WeakPolarHBondContact O-CD2 3.35Å; L278-Y282 PolarHBondContact O-N 3.24Å; L278-Y282 VanDerWaalsContact O-N 3.17Å; L278-F346 HydrophobicContact CB-CE1 4.36Å; L278-F346 HydrophobicContact CD1-CE1 4.4Å; L278-S352 VanDerWaalsContact CD1-O 3.29Å; L278-S352 WeakPolarHBondContact CD1-O 3.34Å; L278-Q355 HydrophobicContact CD1-CB 4.33Å; L278-Q355 VanDerWaalsContact CD2-OE1 3.29Å; L278-L356 HydrophobicContact CD1-CB 4.31Å
279E88.5Confident85.5Confident58 Ų5851.9 Ų51.927%0.27126%0.256SS..Hα-helixtrans-67.1-43.6170.6-169.5-173.8154.300111.9C258 V275 K276 F281 Y282 K283C258-E279 PolarHBondContact SG-OE2 3.38Å; V275-E279 PolarHBondContact O-N 3.27Å; K276-E279 PolarHBondContact O-N 2.95Å; K276-E279 VanDerWaalsContact O-N 3.17Å; E279-F281 VanDerWaalsContact C-N 3.29Å; E279-F281 PolarHBondContact O-N 3.22Å; E279-Y282 PolarHBondContact O-N 3.21Å; E279-Y282 VanDerWaalsContact O-N 3.16Å; E279-K283 WeakPolarHBondContact O-CG 3.1Å; E279-K283 PolarHBondContact O-N 3.15Å; E279-K283 WeakPolarHBondContact OE1-CE 3.4Å; E279-K283 IonicContact OE1-NZ 3.08Å; E279-K283 PolarHBondContact OE1-NZ 2.82Å
280D89.9Confident86.1Confident57 Ų5754.6 Ų54.631%0.30527%0.27SS..Hα-helixtrans-60.6-41.1175.8-68.4-19.7000110.3K276 Y282 K283 M284 I365K276-D280 WeakPolarHBondContact O-CB 3.11Å; K276-D280 VanDerWaalsContact O-CG 3.26Å; K276-D280 PolarHBondContact O-N 3.48Å; D280-Y282 PolarHBondContact O-N 2.9Å; D280-K283 PolarHBondContact O-N 3.01Å; D280-M284 VanDerWaalsContact O-CG 3.26Å; D280-M284 WeakPolarHBondContact O-CG 3.21Å; D280-M284 PolarHBondContact O-N 3.23Å; D280-I365 HydrophobicContact CB-CD1 4.45Å
281F92.5Very high86.7Confident2 Ų254.6 Ų54.61%0.00927%0.269CS..Hα-helixtrans-57-48.1171.8174.6-98.3000112.8A277 E279 K283 M284 L285 A292 Y294 L312 L359 A363 I365A277-F281 PolarHBondContact O-N 2.79Å; E279-F281 VanDerWaalsContact C-N 3.29Å; E279-F281 PolarHBondContact O-N 3.22Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.15Å; F281-M284 PolarHBondContact O-N 2.9Å; F281-L285 PolarHBondContact O-N 3.32Å; F281-A292 HydrophobicContact CD2-CB 4.07Å; F281-A292 HydrophobicContact CE2-CB 3.82Å; F281-Y294 HydrophobicContact CZ-CD1 4.41Å; F281-L312 HydrophobicContact CB-CD1 3.83Å; F281-L312 HydrophobicContact CD2-CD1 4.27Å; F281-L312 HydrophobicContact CG-CD1 4.08Å; F281-L359 HydrophobicContact CE1-CD1 3.93Å; F281-A363 HydrophobicContact CD2-CB 4.2Å; F281-A363 HydrophobicContact CE1-CB 4.47Å; F281-A363 HydrophobicContact CE2-CB 3.73Å; F281-A363 HydrophobicContact CZ-CB 3.88Å; F281-I365 HydrophobicContact CB-CD1 4.01Å; F281-I365 HydrophobicContact CB-CG1 4.17Å; F281-I365 HydrophobicContact CD2-CG1 3.97Å
282Y90.7Very high87.5Confident67 Ų6754.7 Ų54.726%0.26327%0.269SS..Hα-helixtrans-66.1-35.1177.6-78.7-59.9000113.1L278 E279 D280 L285 Q286 L359L278-Y282 HydrophobicContact CD2-CD2 3.79Å; L278-Y282 HydrophobicContact CD2-CE2 3.4Å; L278-Y282 HydrophobicContact CG-CE2 4.2Å; L278-Y282 WeakPolarHBondContact O-CD2 3.35Å; L278-Y282 PolarHBondContact O-N 3.24Å; L278-Y282 VanDerWaalsContact O-N 3.17Å; E279-Y282 PolarHBondContact O-N 3.21Å; E279-Y282 VanDerWaalsContact O-N 3.16Å; D280-Y282 PolarHBondContact O-N 2.9Å; Y282-L285 PolarHBondContact O-N 3.5Å; Y282-Q286 WeakPolarHBondContact O-CG 3.46Å; Y282-Q286 PolarHBondContact O-N 2.88Å; Y282-Q286 VanDerWaalsContact O-N 3.07Å; Y282-L359 HydrophobicContact CE1-CD1 4.39Å
283K91.4Very high88Confident85 Ų8555.1 Ų55.137%0.3727%0.27SS..Hα-helixtrans-63.4-44.1174-74.7172.2-177.31590111.1E279 D280 F281 L285 Q286 H287E279-K283 WeakPolarHBondContact O-CG 3.1Å; E279-K283 PolarHBondContact O-N 3.15Å; E279-K283 WeakPolarHBondContact OE1-CE 3.4Å; E279-K283 IonicContact OE1-NZ 3.08Å; E279-K283 PolarHBondContact OE1-NZ 2.82Å; D280-K283 PolarHBondContact O-N 3.01Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.15Å; K283-L285 VanDerWaalsContact C-N 3.33Å; K283-L285 PolarHBondContact O-N 3.27Å; K283-Q286 PolarHBondContact O-N 2.84Å; K283-H287 PolarHBondContact O-CD2 2.89Å; K283-H287 PolarHBondContact O-N 3.31Å
284M90.4Very high88.5Confident44 Ų4459.4 Ų59.422%0.21728%0.28CS..Hα-helixtrans-61.8-43.5176.4-65.7-59.9-7600110.7D280 F281 Q286 H287 E288 R291 A292 I365D280-M284 VanDerWaalsContact O-CG 3.26Å; D280-M284 WeakPolarHBondContact O-CG 3.21Å; D280-M284 PolarHBondContact O-N 3.23Å; F281-M284 PolarHBondContact O-N 2.9Å; M284-Q286 PolarHBondContact O-N 3.08Å; M284-H287 PolarHBondContact O-N 3.05Å; M284-E288 CarbonylContact O-C 3.53Å; M284-E288 WeakPolarHBondContact O-CA 3.3Å; M284-E288 PolarHBondContact O-N 3.19Å; M284-R291 HydrophobicContact CE-CB 3.94Å; M284-A292 HydrophobicContact CB-CB 3.97Å; M284-I365 HydrophobicContact CG-CG2 4.15Å
285L89.2Confident88.8Confident65 Ų6559.7 Ų59.734%0.3429%0.285SS..Hα-helixtrans-62-30.9176.7-164.766.8000113.4F281 Y282 K283 A292F281-L285 PolarHBondContact O-N 3.32Å; Y282-L285 PolarHBondContact O-N 3.5Å; K283-L285 VanDerWaalsContact C-N 3.33Å; K283-L285 PolarHBondContact O-N 3.27Å; L285-A292 HydrophobicContact CB-CB 4.28Å; L285-A292 HydrophobicContact CD1-CB 4.22Å
286Q90.6Very high89Confident151 Ų15161.4 Ų61.471%0.70629%0.293SS*.Hα-helixtrans-77.8-35.4176.8-73.1172.913.300113.5Y282 K283 M284Y282-Q286 WeakPolarHBondContact O-CG 3.46Å; Y282-Q286 PolarHBondContact O-N 2.88Å; Y282-Q286 VanDerWaalsContact O-N 3.07Å; K283-Q286 PolarHBondContact O-N 2.84Å; M284-Q286 PolarHBondContact O-N 3.08Å
287H88.6Confident89.2Confident151 Ų15158.1 Ų58.170%0.69929%0.288SS*.Hα-helixtrans-94.5-42.1-174.6-72.5-64.4000113.4K283 M284K283-H287 PolarHBondContact O-CD2 2.89Å; K283-H287 PolarHBondContact O-N 3.31Å; M284-H287 PolarHBondContact O-N 3.05Å
288E84.4Confident89.1Confident88 Ų8858.6 Ų58.641%0.41129%0.289SS..  trans-142.987.1-172.3-68.2-179.717200109.6M284 D290 R291M284-E288 CarbonylContact O-C 3.53Å; M284-E288 WeakPolarHBondContact O-CA 3.3Å; M284-E288 PolarHBondContact O-N 3.19Å; E288-D290 PolarHBondContact O-N 3.33Å; E288-R291 HydrophobicContact CB-CB 4.47Å; E288-R291 HydrophobicContact CB-CG 4.5Å; E288-R291 PolarHBondContact O-N 2.94Å; E288-R291 WeakPolarHBondContact OE2-CD 3.04Å; E288-R291 IonicContact OE2-CZ 3.08Å; E288-R291 IonicContact OE2-NE 3.39Å; E288-R291 IonicContact OE2-NH1 2.67Å; E288-R291 PolarHBondContact OE2-NH1 3.48Å
289P79.6Confident89.3Confident76 Ų7658.4 Ų58.449%0.49429%0.288SS..G310 helixtrans-60-32.8-174.223.9-33.3000112.6R291 A292P289-R291 PolarHBondContact O-N 3.36Å; P289-A292 PolarHBondContact O-N 3.26Å
290D85.9Confident89.4Confident68 Ų6857.8 Ų57.836%0.36429%0.285SS..G310 helixtrans-73.72.6-176.7-50.4-22.6000114.2E288 F293 P369 I370E288-D290 PolarHBondContact O-N 3.33Å; D290-F293 VanDerWaalsContact O-CE2 3.23Å; D290-F293 WeakPolarHBondContact O-CE2 3.42Å; D290-P369 HydrophobicContact CB-CB 3.91Å; D290-P369 WeakPolarHBondContact O-CA 3.34Å; D290-I370 PolarHBondContact O-N 3.12Å; D290-I370 VanDerWaalsContact O-N 3.08Å
291R89Confident89.3Confident61 Ų6158.7 Ų58.723%0.2329%0.285CS..G310 helixtrans-113.4-7.3177.6-72.9178.7101.1-174.67114.1M284 E288 P289 L366 R367 P369M284-R291 HydrophobicContact CE-CB 3.94Å; E288-R291 HydrophobicContact CB-CB 4.47Å; E288-R291 HydrophobicContact CB-CG 4.5Å; E288-R291 PolarHBondContact O-N 2.94Å; E288-R291 WeakPolarHBondContact OE2-CD 3.04Å; E288-R291 IonicContact OE2-CZ 3.08Å; E288-R291 IonicContact OE2-NE 3.39Å; E288-R291 IonicContact OE2-NH1 2.67Å; E288-R291 PolarHBondContact OE2-NH1 3.48Å; P289-R291 PolarHBondContact O-N 3.36Å; R291-L366 WeakPolarHBondContact O-CG 3.45Å; R291-L366 PolarHBondContact O-N 3.11Å; R291-R367 PolarHBondContact NH2-O 3.05Å; R291-P369 HydrophobicContact CG-CB 3.81Å
292A91.6Very high89.2Confident3 Ų358.6 Ų58.63%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-127107.6-178.400000109.5F281 M284 L285 P289F281-A292 HydrophobicContact CD2-CB 4.07Å; F281-A292 HydrophobicContact CE2-CB 3.82Å; M284-A292 HydrophobicContact CB-CB 3.97Å; L285-A292 HydrophobicContact CB-CB 4.28Å; L285-A292 HydrophobicContact CD1-CB 4.22Å; P289-A292 PolarHBondContact O-N 3.26Å
293F90.4Very high89.1Confident17 Ų1755.5 Ų55.58%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-113.6147.3179.9-67.2-77.6000111.2D290 H298 A363 A364 L366 I370 L373D290-F293 VanDerWaalsContact O-CE2 3.23Å; D290-F293 WeakPolarHBondContact O-CE2 3.42Å; F293-H298 HydrophobicContact CB-CB 3.87Å; F293-H298 HydrophobicContact CD1-CB 4.19Å; F293-H298 HydrophobicContact CG-CB 4.25Å; F293-A363 CarbonylContact O-C 3.54Å; F293-A363 WeakPolarHBondContact O-CA 3.4Å; F293-A364 PolarHBondContact N-O 3.44Å; F293-A364 VanDerWaalsContact N-O 3.08Å; F293-A364 PolarHBondContact O-N 3.26Å; F293-L366 HydrophobicContact CD2-CD1 3.59Å; F293-L366 HydrophobicContact CD2-CG 4.11Å; F293-L366 HydrophobicContact CE2-CD1 3.53Å; F293-L366 HydrophobicContact CE2-CG 4.43Å; F293-I370 WeakPolarHBondContact CZ-O 3.46Å; F293-L373 HydrophobicContact CD1-CB 4.24Å; F293-L373 HydrophobicContact CD2-CD1 3.93Å; F293-L373 HydrophobicContact CE1-CB 3.61Å; F293-L373 HydrophobicContact CE1-CD1 4.42Å; F293-L373 HydrophobicContact CE2-CB 4.21Å; F293-L373 HydrophobicContact CE2-CD1 3.54Å; F293-L373 HydrophobicContact CE2-CG 4.49Å; F293-L373 HydrophobicContact CZ-CB 3.6Å; F293-L373 HydrophobicContact CZ-CD1 3.83Å; F293-L373 HydrophobicContact CZ-CG 4.31Å
294Y91.8Very high89Confident113 Ų11357.2 Ų57.244%0.44329%0.285SS..EExtended strand (participates in β ladder)trans-127.9157.7169.263.2-92.1000109.7F281 H298 V362F281-Y294 HydrophobicContact CZ-CD1 4.41Å; Y294-H298 PolarHBondContact O-ND1 3.1Å; Y294-V362 WeakPolarHBondContact CA-O 3.38Å
295G90.5Very high88.9Confident14 Ų1457.2 Ų57.214%0.14429%0.293CS..SBendtrans95.4143.8-174.600000113A297 H298 V299 S360 V362G295-A297 PolarHBondContact O-N 3.21Å; G295-H298 PolarHBondContact O-N 3.49Å; G295-V299 WeakPolarHBondContact O-CB 3.39Å; G295-V299 WeakPolarHBondContact O-CG2 3.46Å; G295-V299 PolarHBondContact O-N 3.48Å; G295-V299 VanDerWaalsContact O-N 3.11Å; G295-S360 VanDerWaalsContact CA-OG 3.31Å; G295-S360 WeakPolarHBondContact CA-OG 3.38Å; G295-S360 PolarHBondContact N-OG 3.08Å; G295-V362 PolarHBondContact N-O 3.11Å
296I88.9Confident88.9Confident41 Ų4158.6 Ų58.621%0.2130%0.3CS..Hα-helixtrans-60.6-43.8-173.7-178.266.7000112.5H298 V299 E300 Y329 L332I296-H298 PolarHBondContact O-N 3.44Å; I296-V299 PolarHBondContact O-N 3Å; I296-E300 HydrophobicContact CD1-CG 3.97Å; I296-E300 HydrophobicContact CG1-CG 4.31Å; I296-E300 WeakPolarHBondContact O-CG 3.48Å; I296-E300 PolarHBondContact O-N 3.12Å; I296-Y329 HydrophobicContact CD1-CD1 3.98Å; I296-Y329 HydrophobicContact CD1-CE1 3.54Å; I296-Y329 HydrophobicContact CG1-CE1 4.34Å; I296-L332 HydrophobicContact CD1-CD2 4.09Å
297A89.8Confident88.8Confident49 Ų4951.4 Ų51.441%0.40527%0.267SS..Hα-helixtrans-66.2-38.5-175.200000112.6G295 R301G295-A297 PolarHBondContact O-N 3.21Å; A297-R301 WeakPolarHBondContact O-CG 3.27Å; A297-R301 PolarHBondContact O-N 3Å; A297-R301 PolarHBondContact O-NE 2.96Å
298H89.5Confident89Confident17 Ų1744.6 Ų44.68%0.07924%0.235CC..Hα-helixtrans-69.2-43.5175.6-60.3132.6000111.6F293 Y294 G295 I296 E300 R301 A302 L373 E377F293-H298 HydrophobicContact CB-CB 3.87Å; F293-H298 HydrophobicContact CD1-CB 4.19Å; F293-H298 HydrophobicContact CG-CB 4.25Å; Y294-H298 PolarHBondContact O-ND1 3.1Å; G295-H298 PolarHBondContact O-N 3.49Å; I296-H298 PolarHBondContact O-N 3.44Å; H298-E300 PolarHBondContact O-N 3.12Å; H298-R301 PolarHBondContact CD2-NH2 3.15Å; H298-R301 PolarHBondContact NE2-NH2 2.81Å; H298-R301 PolarHBondContact O-N 2.56Å; H298-A302 WeakPolarHBondContact O-CB 3.47Å; H298-A302 PolarHBondContact O-N 2.79Å; H298-L373 PolarHBondContact CD2-O 3.12Å; H298-L373 VanDerWaalsContact CD2-O 3.26Å; H298-L373 PolarHBondContact NE2-O 2.88Å; H298-E377 IonicContact CE1-OE1 3.82Å; H298-E377 PolarHBondContact CE1-OE1 3.18Å; H298-E377 IonicContact NE2-OE1 2.66Å
299V91.2Very high89.4Confident0 Ų043.8 Ų43.80%023%0.234CC..Hα-helixtrans-68.7-35.7-176.7175.50000111.3G295 I296 A302 A303 I308 L311 L332 V362 A364G295-V299 WeakPolarHBondContact O-CB 3.39Å; G295-V299 WeakPolarHBondContact O-CG2 3.46Å; G295-V299 PolarHBondContact O-N 3.48Å; G295-V299 VanDerWaalsContact O-N 3.11Å; I296-V299 PolarHBondContact O-N 3Å; V299-A302 PolarHBondContact O-N 2.88Å; V299-A303 WeakPolarHBondContact O-CB 3.36Å; V299-A303 PolarHBondContact O-N 2.77Å; V299-I308 HydrophobicContact CG1-CD1 4.1Å; V299-L311 HydrophobicContact CG1-CD1 3.61Å; V299-L332 HydrophobicContact CG1-CD1 4.25Å; V299-L332 HydrophobicContact CG1-CD2 3.88Å; V299-V362 HydrophobicContact CB-CG1 4.07Å; V299-V362 HydrophobicContact CG1-CG1 3.86Å; V299-V362 HydrophobicContact CG2-CG1 3.87Å; V299-A364 HydrophobicContact CG1-CB 4.1Å; V299-A364 HydrophobicContact CG2-CB 4.03Å
300E90.6Very high90Very high44 Ų4441.2 Ų41.221%0.20622%0.216CC..Hα-helixtrans-66.7-46.2174.6-76.8-176.4162.700112.7I296 H298 A302 A303 D304 R328 L332I296-E300 HydrophobicContact CD1-CG 3.97Å; I296-E300 HydrophobicContact CG1-CG 4.31Å; I296-E300 WeakPolarHBondContact O-CG 3.48Å; I296-E300 PolarHBondContact O-N 3.12Å; H298-E300 PolarHBondContact O-N 3.12Å; E300-A302 PolarHBondContact O-N 3.48Å; E300-A303 CarbonylContact O-C 3.56Å; E300-A303 WeakPolarHBondContact O-CA 3.4Å; E300-A303 WeakPolarHBondContact O-CB 3.12Å; E300-A303 PolarHBondContact O-N 3.27Å; E300-D304 PolarHBondContact O-N 3.39Å; E300-R328 WeakPolarHBondContact OE1-CD 3.48Å; E300-R328 WeakPolarHBondContact OE1-CG 3.36Å; E300-R328 IonicContact OE1-CZ 3.46Å; E300-R328 IonicContact OE1-NE 2.64Å; E300-R328 PolarHBondContact OE1-NE 3.04Å; E300-R328 IonicContact OE1-NH2 3.51Å; E300-R328 IonicContact OE2-CZ 3.38Å; E300-R328 IonicContact OE2-NE 3.33Å; E300-R328 PolarHBondContact OE2-NE 3.42Å; E300-R328 IonicContact OE2-NH2 2.64Å; E300-R328 PolarHBondContact OE2-NH2 2.83Å; E300-L332 HydrophobicContact CG-CD1 4.35Å
301R88.7Confident90.4Very high77 Ų7738 Ų3829%0.29120%0.199SC..Hα-helixtrans-60.7-37.6175.1-71.4-173.8-83.4155.6-7.6111.5A297 H298 A303 D304 A305 L373A297-R301 WeakPolarHBondContact O-CG 3.27Å; A297-R301 PolarHBondContact O-N 3Å; A297-R301 PolarHBondContact O-NE 2.96Å; H298-R301 PolarHBondContact CD2-NH2 3.15Å; H298-R301 PolarHBondContact NE2-NH2 2.81Å; H298-R301 PolarHBondContact O-N 2.56Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-D304 PolarHBondContact O-N 2.86Å; R301-A305 WeakPolarHBondContact O-CB 3.34Å; R301-A305 PolarHBondContact O-N 3.43Å; R301-L373 HydrophobicContact CB-CD2 3.24Å; R301-L373 HydrophobicContact CG-CD2 4.18Å; R301-L373 PolarHBondContact NH1-O 3.11Å; R301-L373 PolarHBondContact NH2-O 2.68Å
302A89.9Confident90.7Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-67.3-32.7173.500000113.3H298 V299 E300 L306 A307 I308 L366 L373H298-A302 WeakPolarHBondContact O-CB 3.47Å; H298-A302 PolarHBondContact O-N 2.79Å; V299-A302 PolarHBondContact O-N 2.88Å; E300-A302 PolarHBondContact O-N 3.48Å; A302-L306 PolarHBondContact O-N 3.28Å; A302-A307 PolarHBondContact O-N 3.17Å; A302-A307 VanDerWaalsContact O-N 3.12Å; A302-I308 HydrophobicContact CB-CD1 4.29Å; A302-I308 HydrophobicContact CB-CG1 4.03Å; A302-L366 HydrophobicContact CB-CD1 4.27Å; A302-L366 HydrophobicContact CB-CD2 3.66Å; A302-L373 HydrophobicContact CB-CD1 4.23Å
303A89.3Confident90.7Very high2 Ų234.9 Ų34.92%0.01719%0.187CC..Hα-helixtrans-69.2-42.1173.900000111.2V299 E300 R301 A305 L306 I308 L332V299-A303 WeakPolarHBondContact O-CB 3.36Å; V299-A303 PolarHBondContact O-N 2.77Å; E300-A303 CarbonylContact O-C 3.56Å; E300-A303 WeakPolarHBondContact O-CA 3.4Å; E300-A303 WeakPolarHBondContact O-CB 3.12Å; E300-A303 PolarHBondContact O-N 3.27Å; R301-A303 VanDerWaalsContact C-N 3.33Å; A303-A305 VanDerWaalsContact C-N 3.28Å; A303-A305 PolarHBondContact O-N 2.76Å; A303-L306 WeakPolarHBondContact O-CA 3.39Å; A303-L306 PolarHBondContact O-N 3.21Å; A303-I308 HydrophobicContact CB-CD1 3.67Å; A303-L332 HydrophobicContact CB-CD1 3.56Å
304D88.9Confident90.7Very high120 Ų12034.1 Ų34.164%0.64218%0.183SC*.Hα-helixtrans-64-34.7175.4-67.4-21.5000111.8E300 R301 L306E300-D304 PolarHBondContact O-N 3.39Å; R301-D304 PolarHBondContact O-N 2.86Å; D304-L306 PolarHBondContact O-N 2.7Å
305A88.8Confident90.5Very high45 Ų4528.8 Ų28.837%0.37216%0.163SC..THydrogen-bonded Turntrans-75.5-1.2172.700000114R301 A303 A307 I370R301-A305 WeakPolarHBondContact O-CB 3.34Å; R301-A305 PolarHBondContact O-N 3.43Å; A303-A305 VanDerWaalsContact C-N 3.28Å; A303-A305 PolarHBondContact O-N 2.76Å; A305-A307 HydrophobicContact CB-CB 4.37Å; A305-A307 PolarHBondContact O-N 2.88Å; A305-A307 VanDerWaalsContact O-N 3.13Å; A305-I370 HydrophobicContact CB-CD1 3.59Å
306L88.6Confident90.2Very high94 Ų9433.6 Ų33.649%0.49218%0.179SC..THydrogen-bonded Turntrans5628.3-179.4-48.6175.4000113.5A302 A303 D304 N339A302-L306 PolarHBondContact O-N 3.28Å; A303-L306 WeakPolarHBondContact O-CA 3.39Å; A303-L306 PolarHBondContact O-N 3.21Å; D304-L306 PolarHBondContact O-N 2.7Å; L306-N339 VanDerWaalsContact CD2-CG 3.49Å; L306-N339 WeakPolarHBondContact CD2-ND2 3.06Å
307A89.2Confident90Very high0 Ų032.5 Ų32.50%017%0.174CC..  trans-96.4-9.1-170.500000113.5A302 A305 D309 L366 R367 F368 I370A302-A307 PolarHBondContact O-N 3.17Å; A302-A307 VanDerWaalsContact O-N 3.12Å; A305-A307 HydrophobicContact CB-CB 4.37Å; A305-A307 PolarHBondContact O-N 2.88Å; A305-A307 VanDerWaalsContact O-N 3.13Å; A307-D309 PolarHBondContact O-N 3.26Å; A307-L366 HydrophobicContact CB-CB 4.43Å; A307-L366 HydrophobicContact CB-CD1 4.28Å; A307-L366 HydrophobicContact CB-CD2 4.3Å; A307-L366 CarbonylContact O-C 3.6Å; A307-L366 WeakPolarHBondContact O-CA 3.49Å; A307-R367 PolarHBondContact O-N 3.4Å; A307-F368 HydrophobicContact CB-CD1 4.34Å; A307-F368 HydrophobicContact CB-CD2 4.29Å; A307-F368 HydrophobicContact CB-CE1 3.73Å; A307-F368 HydrophobicContact CB-CE2 3.68Å; A307-F368 HydrophobicContact CB-CZ 3.37Å; A307-I370 HydrophobicContact CB-CD1 3.57Å; A307-I370 HydrophobicContact CB-CG1 4.46Å
308I92.8Very high89.4Confident7 Ų731.1 Ų31.14%0.03616%0.159CC..EExtended strand (participates in β ladder)trans-72.2122.7-173.3-61.1176000110.7V299 A302 A303 L311 V336 A364 L366V299-I308 HydrophobicContact CG1-CD1 4.1Å; A302-I308 HydrophobicContact CB-CD1 4.29Å; A302-I308 HydrophobicContact CB-CG1 4.03Å; A303-I308 HydrophobicContact CB-CD1 3.67Å; I308-L311 HydrophobicContact CG2-CB 4.17Å; I308-V336 HydrophobicContact CB-CG1 4.41Å; I308-V336 HydrophobicContact CB-CG2 4.25Å; I308-V336 HydrophobicContact CD1-CG2 3.66Å; I308-V336 HydrophobicContact CG2-CG1 3.84Å; I308-V336 HydrophobicContact CG2-CG2 4.14Å; I308-A364 HydrophobicContact CD1-CB 4.28Å; I308-A364 HydrophobicContact CG1-CB 4.22Å; I308-A364 HydrophobicContact CG2-CB 4.24Å; I308-L366 HydrophobicContact CB-CD2 4.46Å; I308-L366 HydrophobicContact CG1-CD2 3.82Å
309D92.1Very high88.6Confident72 Ų7233.5 Ų33.539%0.38517%0.167SC..EExtended strand (participates in β ladder)trans-89.5-54.8169.7-17041.2000111A307 G341 N342 I365 R367A307-D309 PolarHBondContact O-N 3.26Å; D309-G341 CarbonylContact O-C 3.38Å; D309-G341 WeakPolarHBondContact O-CA 3.31Å; D309-N342 PolarHBondContact O-N 3.01Å; D309-I365 WeakPolarHBondContact CB-O 3.42Å; D309-I365 PolarHBondContact N-O 3.21Å; D309-R367 HydrophobicContact CB-CG 3.61Å; D309-R367 IonicContact OD1-NE 3.83Å
310T93.4Very high87.4Confident21 Ų2138.4 Ų38.413%0.12919%0.19CC..EExtended strand (participates in β ladder)trans-128.3121179.2-58.50000110.6L312 N342 R344 A364 I365T310-L312 HydrophobicContact CG2-CD2 3.79Å; T310-N342 CarbonylContact C-O 3.54Å; T310-N342 VanDerWaalsContact CA-O 3.25Å; T310-N342 WeakPolarHBondContact CA-O 3.44Å; T310-R344 HydrophobicContact CG2-CG 4.47Å; T310-A364 WeakPolarHBondContact O-CA 3.47Å; T310-I365 PolarHBondContact N-O 3.37Å; T310-I365 VanDerWaalsContact N-O 3.14Å; T310-I365 PolarHBondContact O-N 3.04Å
311L94.1Very high86.1Confident0 Ų045.2 Ų45.20%022%0.222CC..EExtended strand (participates in β ladder)trans-94.9126.9172.5-179.868.5000109.7V299 I308 L332 V333 V336 N342 V343 R344 V362 A364V299-L311 HydrophobicContact CG1-CD1 3.61Å; I308-L311 HydrophobicContact CG2-CB 4.17Å; L311-L332 HydrophobicContact CD2-CG 4.35Å; L311-V333 HydrophobicContact CD2-CG2 4.06Å; L311-V336 HydrophobicContact CB-CG1 4.05Å; L311-V336 HydrophobicContact CD2-CB 4.36Å; L311-V336 HydrophobicContact CD2-CG2 4.1Å; L311-N342 PolarHBondContact N-O 3.23Å; L311-V343 HydrophobicContact CB-CG1 4.44Å; L311-V343 HydrophobicContact CB-CG2 4.2Å; L311-V343 HydrophobicContact CD2-CG1 4.09Å; L311-V343 HydrophobicContact CD2-CG2 4.2Å; L311-R344 PolarHBondContact O-N 3.28Å; L311-V362 HydrophobicContact CD1-CG1 4.15Å; L311-A364 HydrophobicContact CD1-CB 4.33Å
312L93.8Very high85.4Confident0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans-108.4117.1174.9-47.9176.4000108.1A277 F281 T310 R344 F346 L356 A363A277-L312 HydrophobicContact CB-CD2 3.91Å; F281-L312 HydrophobicContact CB-CD1 3.83Å; F281-L312 HydrophobicContact CD2-CD1 4.27Å; F281-L312 HydrophobicContact CG-CD1 4.08Å; T310-L312 HydrophobicContact CG2-CD2 3.79Å; L312-R344 HydrophobicContact CD2-CB 4.35Å; L312-F346 HydrophobicContact CB-CD2 4.32Å; L312-F346 HydrophobicContact CB-CE2 3.77Å; L312-F346 HydrophobicContact CD2-CE2 3.5Å; L312-F346 HydrophobicContact CD2-CZ 3.83Å; L312-F346 HydrophobicContact CG-CE2 4.14Å; L312-L356 HydrophobicContact CB-CD1 4.14Å; L312-L356 HydrophobicContact CB-CD2 4.1Å; L312-A363 WeakPolarHBondContact CA-O 3.3Å; L312-A363 HydrophobicContact CB-CB 4.26Å; L312-A363 HydrophobicContact CD1-CB 4.31Å; L312-A363 PolarHBondContact N-O 3.07Å; L312-A363 PolarHBondContact O-N 3.37Å; L312-A363 VanDerWaalsContact O-O 3.05Å
313I92.5Very high84.8Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-133.8134.6-179.1-170.4155.4000111.8L317 F318 Y329 V333 V343 R344 I345 F346 V362I313-L317 HydrophobicContact CG1-CD1 4.15Å; I313-F318 HydrophobicContact CD1-CE1 4.1Å; I313-F318 HydrophobicContact CD1-CE2 4.07Å; I313-F318 HydrophobicContact CD1-CZ 3.5Å; I313-F318 HydrophobicContact CG1-CE2 3.94Å; I313-F318 HydrophobicContact CG1-CZ 3.89Å; I313-F318 HydrophobicContact CG2-CE2 3.88Å; I313-F318 HydrophobicContact CG2-CZ 3.89Å; I313-Y329 HydrophobicContact CD1-CD1 3.86Å; I313-Y329 HydrophobicContact CD1-CG 4.34Å; I313-V333 HydrophobicContact CD1-CG2 4.46Å; I313-V343 HydrophobicContact CG2-CG1 4.37Å; I313-R344 PolarHBondContact N-O 3.11Å; I313-R344 VanDerWaalsContact N-O 3.1Å; I313-I345 HydrophobicContact CG2-CB 4.4Å; I313-I345 HydrophobicContact CG2-CG1 3.88Å; I313-I345 CarbonylContact O-C 3.54Å; I313-I345 WeakPolarHBondContact O-CA 3.5Å; I313-F346 PolarHBondContact O-N 3.38Å; I313-V362 HydrophobicContact CD1-CG2 4.31Å; I313-V362 HydrophobicContact CG1-CG2 4.39Å
314S91Very high84.4Confident0 Ų058.7 Ų58.70%029%0.293CS..EExtended strand (participates in β ladder)trans-79.4135.2176.2179.20000111.2K316 L317 S348 T357 G361S314-K316 PolarHBondContact O-N 3.39Å; S314-L317 PolarHBondContact O-N 2.78Å; S314-L317 VanDerWaalsContact O-N 3.16Å; S314-S348 PolarHBondContact OG-OG 3.13Å; S314-S348 VanDerWaalsContact OG-OG 3.06Å; S314-T357 PolarHBondContact OG-OG1 2.86Å; S314-G361 PolarHBondContact N-O 3.25Å
315D87.3Confident84.2Confident2 Ų255.1 Ų55.11%0.01128%0.275CS..THydrogen-bonded Turntrans-65.2-20.3-178.874.1-16.4000114.4W27 R124 L317 F318 R319 I345 F346 S348W27-D315 WeakPolarHBondContact CZ2-OD2 3.38Å; R124-D315 IonicContact NH1-OD2 3.57Å; R124-D315 PolarHBondContact NH1-OD2 3.4Å; D315-L317 PolarHBondContact O-N 3.32Å; D315-F318 PolarHBondContact O-N 3.26Å; D315-R319 IonicContact OD1-NH2 3.36Å; D315-R319 PolarHBondContact OD1-NH2 3.47Å; D315-I345 HydrophobicContact CB-CG2 3.99Å; D315-F346 WeakPolarHBondContact CB-O 3.42Å; D315-F346 PolarHBondContact N-O 3.41Å; D315-S348 WeakPolarHBondContact OD1-CB 3.39Å; D315-S348 PolarHBondContact OD1-N 2.96Å; D315-S348 PolarHBondContact OD1-OG 2.69Å
316K85Confident83.9Confident114 Ų11454.5 Ų54.550%0.49626%0.263SS..THydrogen-bonded Turntrans-61-30.2174.2-175.8176.1-178.7-173.50112.7S314 F318 R319 S348 T357S314-K316 PolarHBondContact O-N 3.39Å; K316-F318 VanDerWaalsContact C-N 3.32Å; K316-F318 PolarHBondContact O-N 3.23Å; K316-R319 VanDerWaalsContact CA-NH2 3.35Å; K316-R319 WeakPolarHBondContact O-CB 3.35Å; K316-R319 PolarHBondContact O-N 3.07Å; K316-R319 VanDerWaalsContact O-N 3.12Å; K316-S348 WeakPolarHBondContact CB-OG 3.35Å; K316-S348 PolarHBondContact N-OG 2.77Å; K316-T357 HydrophobicContact CD-CG2 4.5Å
317L82.9Confident83.7Confident18 Ų1852.3 Ų52.39%0.09426%0.256CS..G310 helixtrans-68.6-32.5-178.5-63.7178.6000112.3I313 S314 D315 R319 H320 Y329 G361 V362I313-L317 HydrophobicContact CG1-CD1 4.15Å; S314-L317 PolarHBondContact O-N 2.78Å; S314-L317 VanDerWaalsContact O-N 3.16Å; D315-L317 PolarHBondContact O-N 3.32Å; L317-R319 PolarHBondContact O-N 3.08Å; L317-H320 PolarHBondContact O-N 3.49Å; L317-Y329 HydrophobicContact CB-CD2 4.22Å; L317-Y329 HydrophobicContact CB-CE2 4.1Å; L317-Y329 HydrophobicContact CD1-CE1 4.03Å; L317-G361 VanDerWaalsContact CD1-C 3.5Å; L317-G361 VanDerWaalsContact CD1-O 3.31Å; L317-G361 WeakPolarHBondContact CD1-O 3.43Å; L317-V362 HydrophobicContact CD1-CG2 3.28Å
318F79Confident83.7Confident21 Ų2157.8 Ų57.89%0.09228%0.277CS..G310 helixtrans-73.6-8.1174.9-56.7-69.7000113.6I313 D315 K316 R326 V330 V333 I345I313-F318 HydrophobicContact CD1-CE1 4.1Å; I313-F318 HydrophobicContact CD1-CE2 4.07Å; I313-F318 HydrophobicContact CD1-CZ 3.5Å; I313-F318 HydrophobicContact CG1-CE2 3.94Å; I313-F318 HydrophobicContact CG1-CZ 3.89Å; I313-F318 HydrophobicContact CG2-CE2 3.88Å; I313-F318 HydrophobicContact CG2-CZ 3.89Å; D315-F318 PolarHBondContact O-N 3.26Å; K316-F318 VanDerWaalsContact C-N 3.32Å; K316-F318 PolarHBondContact O-N 3.23Å; F318-R326 WeakPolarHBondContact O-CD 3.42Å; F318-V330 HydrophobicContact CD1-CG2 4.35Å; F318-V333 HydrophobicContact CE1-CG2 4.19Å; F318-V333 HydrophobicContact CZ-CG2 3.86Å; F318-I345 HydrophobicContact CE2-CD1 4.46Å; F318-I345 HydrophobicContact CE2-CG2 4.17Å
319R71.6Confident83.5Confident66 Ų6658.9 Ų58.925%0.24928%0.281CS..G310 helixtrans-98.22.5178.1-65.7-176-68.6-140.9-8.8113.7N31 D315 K316 L317 Q321 S348N31-R319 PolarHBondContact OD1-NH1 3.2Å; D315-R319 IonicContact OD1-NH2 3.36Å; D315-R319 PolarHBondContact OD1-NH2 3.47Å; K316-R319 VanDerWaalsContact CA-NH2 3.35Å; K316-R319 WeakPolarHBondContact O-CB 3.35Å; K316-R319 PolarHBondContact O-N 3.07Å; K316-R319 VanDerWaalsContact O-N 3.12Å; L317-R319 PolarHBondContact O-N 3.08Å; R319-Q321 PolarHBondContact O-N 2.81Å; R319-S348 PolarHBondContact NH2-OG 3.22Å
320H65.4Low83.3Confident103 Ų10356.1 Ų56.148%0.47727%0.266SS..  trans-56.7137.3177.7-103.2-96.2000110.9L317 D322L317-H320 PolarHBondContact O-N 3.49Å; H320-D322 PolarHBondContact O-N 2.86Å
321Q63.3Low83.1Confident187 Ų18763.7 Ų63.787%0.87429%0.293SS*.SBendtrans-63.7-24.8179.3-68.6-178.9-4.600112.1R319R319-Q321 PolarHBondContact O-N 2.81Å
322D75.7Confident83Confident68 Ų6864.1 Ų64.136%0.36430%0.295SS..  trans-79.2122.7177.2171.843000111.4H320 Q324 T325 R326H320-D322 PolarHBondContact O-N 2.86Å; D322-Q324 VanDerWaalsContact C-N 3.31Å; D322-Q324 PolarHBondContact O-N 3.3Å; D322-Q324 PolarHBondContact OD1-N 2.91Å; D322-Q324 VanDerWaalsContact OD1-N 3.14Å; D322-T325 WeakPolarHBondContact CB-OG1 3.46Å; D322-T325 PolarHBondContact O-OG1 2.74Å; D322-T325 VanDerWaalsContact O-OG1 3.06Å; D322-T325 WeakPolarHBondContact OD2-CB 3.22Å; D322-T325 WeakPolarHBondContact OD2-CG2 3.3Å; D322-T325 PolarHBondContact OD2-N 2.81Å; D322-T325 PolarHBondContact OD2-OG1 3.37Å; D322-R326 PolarHBondContact O-N 2.96Å
323I76Confident82.9Confident138 Ų13864.1 Ų64.171%0.70830%0.295SS*.Hα-helixtrans-69.2-32.7-177.5-61.4162.6000110.4S327I323-S327 WeakPolarHBondContact O-CB 3.42Å; I323-S327 PolarHBondContact O-N 3.33Å
324Q82.2Confident82.7Confident156 Ų15666.5 Ų66.573%0.72931%0.308SS*.Hα-helixtrans-70.6-50.9-176.9-65.4-168.7-12.600111.7D322 R326 S327 R328D322-Q324 VanDerWaalsContact C-N 3.31Å; D322-Q324 PolarHBondContact O-N 3.3Å; D322-Q324 PolarHBondContact OD1-N 2.91Å; D322-Q324 VanDerWaalsContact OD1-N 3.14Å; Q324-R326 VanDerWaalsContact C-N 3.28Å; Q324-R326 PolarHBondContact O-N 2.76Å; Q324-S327 PolarHBondContact O-N 2.97Å; Q324-R328 PolarHBondContact O-N 3.41Å
325T84.1Confident82.8Confident45 Ų4569 Ų6928%0.27632%0.321SS..Hα-helixtrans-57.3-41.2175.544.40000112D322 R328 Y329D322-T325 WeakPolarHBondContact CB-OG1 3.46Å; D322-T325 PolarHBondContact O-OG1 2.74Å; D322-T325 VanDerWaalsContact O-OG1 3.06Å; D322-T325 WeakPolarHBondContact OD2-CB 3.22Å; D322-T325 WeakPolarHBondContact OD2-CG2 3.3Å; D322-T325 PolarHBondContact OD2-N 2.81Å; D322-T325 PolarHBondContact OD2-OG1 3.37Å; T325-R328 WeakPolarHBondContact O-CB 3.42Å; T325-R328 PolarHBondContact O-N 3.48Å; T325-Y329 WeakPolarHBondContact O-CD2 3.35Å; T325-Y329 PolarHBondContact O-N 2.83Å; T325-Y329 VanDerWaalsContact O-N 3.14Å
326R82.6Confident83Confident32 Ų3269.1 Ų69.112%0.12132%0.321CS..Hα-helixtrans-64.5-47.5175.3179.1-179.4159-153.9-3112.7Q34 D118 F318 D322 Q324 R328 Y329 V330Q34-R326 VanDerWaalsContact CD-NH2 3.33Å; Q34-R326 VanDerWaalsContact NE2-NH1 3.12Å; Q34-R326 VanDerWaalsContact OE1-CZ 3.26Å; Q34-R326 VanDerWaalsContact OE1-NH2 3.1Å; D118-R326 IonicContact OD2-CZ 3.45Å; D118-R326 IonicContact OD2-NE 3.55Å; D118-R326 IonicContact OD2-NH2 3.4Å; D118-R326 PolarHBondContact OD2-NH2 3.44Å; F318-R326 WeakPolarHBondContact O-CD 3.42Å; D322-R326 PolarHBondContact O-N 2.96Å; Q324-R326 VanDerWaalsContact C-N 3.28Å; Q324-R326 PolarHBondContact O-N 2.76Å; R326-R328 PolarHBondContact O-N 3.16Å; R326-Y329 PolarHBondContact O-N 3.07Å; R326-Y329 VanDerWaalsContact O-N 3.09Å; R326-V330 HydrophobicContact CG-CG2 4.27Å; R326-V330 WeakPolarHBondContact O-CG2 3.38Å; R326-V330 PolarHBondContact O-N 2.84Å
327S83.7Confident83.2Confident49 Ų4967.5 Ų67.534%0.34331%0.312SS..Hα-helixtrans-58.3-35.7178.8-173.30000111.2I323 Q324 V330 R331I323-S327 WeakPolarHBondContact O-CB 3.42Å; I323-S327 PolarHBondContact O-N 3.33Å; Q324-S327 PolarHBondContact O-N 2.97Å; S327-V330 PolarHBondContact O-N 3.09Å; S327-R331 WeakPolarHBondContact O-CB 3Å; S327-R331 VanDerWaalsContact O-CG 3.23Å; S327-R331 WeakPolarHBondContact O-CG 3.32Å; S327-R331 PolarHBondContact O-N 3.21Å
328R88.8Confident83.5Confident115 Ų11573.3 Ų73.343%0.43434%0.343SS..Hα-helixtrans-60.2-49.2172.8-171.2177.4179.5-173.2-3.3112.2E300 Q324 T325 R326 V330 R331 L332E300-R328 WeakPolarHBondContact OE1-CD 3.48Å; E300-R328 WeakPolarHBondContact OE1-CG 3.36Å; E300-R328 IonicContact OE1-CZ 3.46Å; E300-R328 IonicContact OE1-NE 2.64Å; E300-R328 PolarHBondContact OE1-NE 3.04Å; E300-R328 IonicContact OE1-NH2 3.51Å; E300-R328 IonicContact OE2-CZ 3.38Å; E300-R328 IonicContact OE2-NE 3.33Å; E300-R328 PolarHBondContact OE2-NE 3.42Å; E300-R328 IonicContact OE2-NH2 2.64Å; E300-R328 PolarHBondContact OE2-NH2 2.83Å; Q324-R328 PolarHBondContact O-N 3.41Å; T325-R328 WeakPolarHBondContact O-CB 3.42Å; T325-R328 PolarHBondContact O-N 3.48Å; R326-R328 PolarHBondContact O-N 3.16Å; R328-V330 PolarHBondContact O-N 3Å; R328-R331 PolarHBondContact O-N 2.9Å; R328-L332 PolarHBondContact O-N 2.79Å
329Y89.5Confident84Confident30 Ų3075 Ų7512%0.11835%0.353CS..Hα-helixtrans-65.3-37.9176.5-67.7-64000113.6I296 I313 L317 T325 R326 L332 V333 V362I296-Y329 HydrophobicContact CD1-CD1 3.98Å; I296-Y329 HydrophobicContact CD1-CE1 3.54Å; I296-Y329 HydrophobicContact CG1-CE1 4.34Å; I313-Y329 HydrophobicContact CD1-CD1 3.86Å; I313-Y329 HydrophobicContact CD1-CG 4.34Å; L317-Y329 HydrophobicContact CB-CD2 4.22Å; L317-Y329 HydrophobicContact CB-CE2 4.1Å; L317-Y329 HydrophobicContact CD1-CE1 4.03Å; T325-Y329 WeakPolarHBondContact O-CD2 3.35Å; T325-Y329 PolarHBondContact O-N 2.83Å; T325-Y329 VanDerWaalsContact O-N 3.14Å; R326-Y329 PolarHBondContact O-N 3.07Å; R326-Y329 VanDerWaalsContact O-N 3.09Å; Y329-L332 PolarHBondContact O-N 2.81Å; Y329-V333 WeakPolarHBondContact O-CG2 3.41Å; Y329-V333 PolarHBondContact O-N 3.43Å; Y329-V362 HydrophobicContact CD1-CG2 4.23Å; Y329-V362 HydrophobicContact CE1-CG2 3.62Å
330V88.3Confident84.7Confident13 Ų1374.5 Ų74.58%0.07937%0.369CS..Hα-helixtrans-63.5-47176.4173.90000110.1D118 F318 R326 S327 R328 L332 V333 D334D118-V330 HydrophobicContact CB-CG1 4.26Å; F318-V330 HydrophobicContact CD1-CG2 4.35Å; R326-V330 HydrophobicContact CG-CG2 4.27Å; R326-V330 WeakPolarHBondContact O-CG2 3.38Å; R326-V330 PolarHBondContact O-N 2.84Å; S327-V330 PolarHBondContact O-N 3.09Å; R328-V330 PolarHBondContact O-N 3Å; V330-L332 VanDerWaalsContact C-N 3.3Å; V330-L332 PolarHBondContact O-N 3.42Å; V330-V333 PolarHBondContact O-N 2.82Å; V330-V333 VanDerWaalsContact O-N 3.15Å; V330-D334 PolarHBondContact O-N 3.01Å
331R89.1Confident85.9Confident181 Ų18170 Ų7068%0.68335%0.351SS*.Hα-helixtrans-59.1-40.2175-72.7172.5-175.6-169.31.3112.6S327 R328 D334 N335S327-R331 WeakPolarHBondContact O-CB 3Å; S327-R331 VanDerWaalsContact O-CG 3.23Å; S327-R331 WeakPolarHBondContact O-CG 3.32Å; S327-R331 PolarHBondContact O-N 3.21Å; R328-R331 PolarHBondContact O-N 2.9Å; R331-D334 PolarHBondContact O-N 2.86Å; R331-N335 VanDerWaalsContact O-CB 3.26Å; R331-N335 WeakPolarHBondContact O-CB 3.49Å; R331-N335 PolarHBondContact O-N 2.93Å
332L90.9Very high87.2Confident8 Ų865 Ų654%0.04233%0.33CS..Hα-helixtrans-61.5-4517617764.9000111.4I296 V299 E300 A303 L311 R328 Y329 V330 N335 V336 V362I296-L332 HydrophobicContact CD1-CD2 4.09Å; V299-L332 HydrophobicContact CG1-CD1 4.25Å; V299-L332 HydrophobicContact CG1-CD2 3.88Å; E300-L332 HydrophobicContact CG-CD1 4.35Å; A303-L332 HydrophobicContact CB-CD1 3.56Å; L311-L332 HydrophobicContact CD2-CG 4.35Å; R328-L332 PolarHBondContact O-N 2.79Å; Y329-L332 PolarHBondContact O-N 2.81Å; V330-L332 VanDerWaalsContact C-N 3.3Å; V330-L332 PolarHBondContact O-N 3.42Å; L332-N335 PolarHBondContact O-N 3.07Å; L332-V336 HydrophobicContact CD1-CG2 4.48Å; L332-V336 WeakPolarHBondContact O-CG2 3.41Å; L332-V336 PolarHBondContact O-N 3.3Å; L332-V362 HydrophobicContact CD2-CG1 4.44Å
333V91.4Very high87.9Confident0 Ų062.7 Ų62.70%032%0.319CS..Hα-helixtrans-63.7-45.3177.7167.60000111.5V120 L311 I313 F318 Y329 V330 V336 R337 V343V120-V333 HydrophobicContact CG2-CB 4.35Å; V120-V333 HydrophobicContact CG2-CG1 3.81Å; L311-V333 HydrophobicContact CD2-CG2 4.06Å; I313-V333 HydrophobicContact CD1-CG2 4.46Å; F318-V333 HydrophobicContact CE1-CG2 4.19Å; F318-V333 HydrophobicContact CZ-CG2 3.86Å; Y329-V333 WeakPolarHBondContact O-CG2 3.41Å; Y329-V333 PolarHBondContact O-N 3.43Å; V330-V333 PolarHBondContact O-N 2.82Å; V330-V333 VanDerWaalsContact O-N 3.15Å; V333-V336 PolarHBondContact O-N 2.89Å; V333-R337 WeakPolarHBondContact O-CG 3.48Å; V333-R337 PolarHBondContact O-N 3.35Å; V333-V343 HydrophobicContact CG1-CG1 4.02Å; V333-V343 HydrophobicContact CG1-CG2 4.32Å; V333-V343 HydrophobicContact CG2-CG1 4.18Å
334D90.1Very high88.6Confident51 Ų5160.3 Ų60.327%0.27330%0.3SS..Hα-helixtrans-63.2-44.6178.5-67.1-29.6000110.7S119 V330 R331 V336 R337 D338S119-D334 PolarHBondContact OG-OD1 3.48Å; V330-D334 PolarHBondContact O-N 3.01Å; R331-D334 PolarHBondContact O-N 2.86Å; D334-V336 PolarHBondContact O-N 2.89Å; D334-R337 WeakPolarHBondContact O-CB 3.2Å; D334-R337 PolarHBondContact O-N 3.01Å; D334-R337 VanDerWaalsContact O-N 3.15Å; D334-D338 VanDerWaalsContact O-CG 3.32Å; D334-D338 PolarHBondContact O-N 3.04Å
335N91.1Very high88.9Confident53 Ų5354.1 Ų54.128%0.28327%0.272SS..Hα-helixtrans-58.4-47.3176.3-171.3-3.5000111.8R331 L332 R337 D338 N339R331-N335 VanDerWaalsContact O-CB 3.26Å; R331-N335 WeakPolarHBondContact O-CB 3.49Å; R331-N335 PolarHBondContact O-N 2.93Å; L332-N335 PolarHBondContact O-N 3.07Å; N335-R337 VanDerWaalsContact C-N 3.3Å; N335-R337 PolarHBondContact O-N 3.42Å; N335-D338 PolarHBondContact O-N 3.07Å; N335-N339 PolarHBondContact O-N 3.24Å; N335-N339 VanDerWaalsContact O-N 3.15Å; N335-N339 PolarHBondContact O-ND2 2.92Å; N335-N339 PolarHBondContact OD1-ND2 3.24Å
336V91.9Very high89.2Confident3 Ų352 Ų522%0.01826%0.259CS..Hα-helixtrans-62.6-37.8177.8173.70000111.9I308 L311 L332 V333 D334 N339 G340 G341 V343I308-V336 HydrophobicContact CB-CG1 4.41Å; I308-V336 HydrophobicContact CB-CG2 4.25Å; I308-V336 HydrophobicContact CD1-CG2 3.66Å; I308-V336 HydrophobicContact CG2-CG1 3.84Å; I308-V336 HydrophobicContact CG2-CG2 4.14Å; L311-V336 HydrophobicContact CB-CG1 4.05Å; L311-V336 HydrophobicContact CD2-CB 4.36Å; L311-V336 HydrophobicContact CD2-CG2 4.1Å; L332-V336 HydrophobicContact CD1-CG2 4.48Å; L332-V336 WeakPolarHBondContact O-CG2 3.41Å; L332-V336 PolarHBondContact O-N 3.3Å; V333-V336 PolarHBondContact O-N 2.89Å; D334-V336 PolarHBondContact O-N 2.89Å; V336-N339 PolarHBondContact O-N 3.47Å; V336-G340 PolarHBondContact O-N 3.37Å; V336-G341 WeakPolarHBondContact O-CA 3.19Å; V336-G341 PolarHBondContact O-N 3.36Å; V336-V343 HydrophobicContact CB-CG2 4.03Å; V336-V343 HydrophobicContact CG1-CG2 3.71Å
337R89.3Confident89.4Confident81 Ų8150.9 Ų50.931%0.30626%0.256SS..Hα-helixtrans-67.5-44.4177.3-75.9174.4173.7-158.3-7112.5D123 V333 D334 N335 N339 G340 V343D123-R337 IonicContact OD2-CZ 3.13Å; D123-R337 IonicContact OD2-NH1 2.67Å; D123-R337 PolarHBondContact OD2-NH1 3.43Å; D123-R337 IonicContact OD2-NH2 3.76Å; D123-R337 PolarHBondContact OD2-NH2 3.21Å; V333-R337 WeakPolarHBondContact O-CG 3.48Å; V333-R337 PolarHBondContact O-N 3.35Å; D334-R337 WeakPolarHBondContact O-CB 3.2Å; D334-R337 PolarHBondContact O-N 3.01Å; D334-R337 VanDerWaalsContact O-N 3.15Å; N335-R337 VanDerWaalsContact C-N 3.3Å; N335-R337 PolarHBondContact O-N 3.42Å; R337-N339 PolarHBondContact O-N 3.46Å; R337-G340 PolarHBondContact O-N 3.35Å; R337-V343 HydrophobicContact CG-CG2 3.82Å
338D89.8Confident89.5Confident139 Ų13949.4 Ų49.474%0.74325%0.246SC*.Hα-helixtrans-61.4-31179-71-16.6000111.4D334 N335 G340D334-D338 VanDerWaalsContact O-CG 3.32Å; D334-D338 PolarHBondContact O-N 3.04Å; N335-D338 PolarHBondContact O-N 3.07Å; D338-G340 VanDerWaalsContact C-N 3.27Å; D338-G340 PolarHBondContact O-N 3.3Å
339N89.3Confident89.3Confident56 Ų5646.4 Ų46.430%0.29924%0.238SC..THydrogen-bonded Turntrans-84.66.5176-60.3-34.7000114.4L306 N335 V336 R337 G341 R367L306-N339 VanDerWaalsContact CD2-CG 3.49Å; L306-N339 WeakPolarHBondContact CD2-ND2 3.06Å; N335-N339 PolarHBondContact O-N 3.24Å; N335-N339 VanDerWaalsContact O-N 3.15Å; N335-N339 PolarHBondContact O-ND2 2.92Å; N335-N339 PolarHBondContact OD1-ND2 3.24Å; V336-N339 PolarHBondContact O-N 3.47Å; R337-N339 PolarHBondContact O-N 3.46Å; N339-G341 VanDerWaalsContact C-N 3.31Å; N339-G341 PolarHBondContact O-N 3.22Å; N339-R367 PolarHBondContact O-NH2 3.31Å
340G87.4Confident89Confident56 Ų5645 Ų4558%0.57723%0.233SC*.THydrogen-bonded Turntrans71.820.8179.800000114.2V336 R337 D338 R367V336-G340 PolarHBondContact O-N 3.37Å; R337-G340 PolarHBondContact O-N 3.35Å; D338-G340 VanDerWaalsContact C-N 3.27Å; D338-G340 PolarHBondContact O-N 3.3Å; G340-R367 VanDerWaalsContact C-NH2 3.33Å; G340-R367 PolarHBondContact O-NH2 3.15Å
341G89Confident88.8Confident10 Ų1044.8 Ų44.810%0.10323%0.231CC..PPolyproline II helixtrans-78.3150.3170.500000111.7D309 V336 N339D309-G341 CarbonylContact O-C 3.38Å; D309-G341 WeakPolarHBondContact O-CA 3.31Å; V336-G341 WeakPolarHBondContact O-CA 3.19Å; V336-G341 PolarHBondContact O-N 3.36Å; N339-G341 VanDerWaalsContact C-N 3.31Å; N339-G341 PolarHBondContact O-N 3.22Å
342N90.4Very high88.6Confident81 Ų8136.3 Ų36.343%0.43320%0.2SC..EExtended strand (participates in β ladder)trans-88.7117.2178.3-165-15.3000110.7D309 T310 L311D309-N342 PolarHBondContact O-N 3.01Å; T310-N342 CarbonylContact C-O 3.54Å; T310-N342 VanDerWaalsContact CA-O 3.25Å; T310-N342 WeakPolarHBondContact CA-O 3.44Å; L311-N342 PolarHBondContact N-O 3.23Å
343V91.4Very high88.3Confident20 Ų2036 Ų3612%0.12120%0.198CC..EExtended strand (participates in β ladder)trans-98.6120.2178.2-176.80000110.3L311 I313 V333 V336 R337 I345L311-V343 HydrophobicContact CB-CG1 4.44Å; L311-V343 HydrophobicContact CB-CG2 4.2Å; L311-V343 HydrophobicContact CD2-CG1 4.09Å; L311-V343 HydrophobicContact CD2-CG2 4.2Å; I313-V343 HydrophobicContact CG2-CG1 4.37Å; V333-V343 HydrophobicContact CG1-CG1 4.02Å; V333-V343 HydrophobicContact CG1-CG2 4.32Å; V333-V343 HydrophobicContact CG2-CG1 4.18Å; V336-V343 HydrophobicContact CB-CG2 4.03Å; V336-V343 HydrophobicContact CG1-CG2 3.71Å; R337-V343 HydrophobicContact CG-CG2 3.82Å; V343-I345 HydrophobicContact CG1-CG1 4.35Å
344R90.1Very high88.1Confident87 Ų8739.6 Ų39.633%0.32822%0.215SC..EExtended strand (participates in β ladder)trans-112.2117.3173.7-62.6-159.3-179-171.12.1110.9G273 T310 L311 L312 I313 F346G273-R344 VanDerWaalsContact C-NH1 3.28Å; G273-R344 PolarHBondContact O-NH1 3.23Å; T310-R344 HydrophobicContact CG2-CG 4.47Å; L311-R344 PolarHBondContact O-N 3.28Å; L312-R344 HydrophobicContact CD2-CB 4.35Å; I313-R344 PolarHBondContact N-O 3.11Å; I313-R344 VanDerWaalsContact N-O 3.1Å; R344-F346 HydrophobicContact CB-CE2 3.95Å; R344-F346 WeakPolarHBondContact O-CD2 3.24Å
345I89.4Confident88Confident27 Ų2739.3 Ų39.314%0.13821%0.212CC..EExtended strand (participates in β ladder)trans-94.8119.6177.7-54.1173.4000108.6V120 I313 D315 F318 V343V120-I345 HydrophobicContact CG1-CD1 3.65Å; I313-I345 HydrophobicContact CG2-CB 4.4Å; I313-I345 HydrophobicContact CG2-CG1 3.88Å; I313-I345 CarbonylContact O-C 3.54Å; I313-I345 WeakPolarHBondContact O-CA 3.5Å; D315-I345 HydrophobicContact CB-CG2 3.99Å; F318-I345 HydrophobicContact CE2-CD1 4.46Å; F318-I345 HydrophobicContact CE2-CG2 4.17Å; V343-I345 HydrophobicContact CG1-CG1 4.35Å
346F89Confident87.9Confident1 Ų136.8 Ų36.80%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-92.4139179.8-71.8-102.4000110.7E274 A277 L278 L312 I313 D315 R344 L356E274-F346 HydrophobicContact CB-CD1 3.99Å; E274-F346 HydrophobicContact CB-CE1 3.59Å; E274-F346 HydrophobicContact CB-CZ 4.33Å; E274-F346 HydrophobicContact CG-CD1 4.16Å; E274-F346 HydrophobicContact CG-CE1 4.06Å; E274-F346 VanDerWaalsContact O-CE1 3.28Å; E274-F346 WeakPolarHBondContact O-CE1 3.29Å; A277-F346 HydrophobicContact CB-CZ 4.24Å; L278-F346 HydrophobicContact CB-CE1 4.36Å; L278-F346 HydrophobicContact CD1-CE1 4.4Å; L312-F346 HydrophobicContact CB-CD2 4.32Å; L312-F346 HydrophobicContact CB-CE2 3.77Å; L312-F346 HydrophobicContact CD2-CE2 3.5Å; L312-F346 HydrophobicContact CD2-CZ 3.83Å; L312-F346 HydrophobicContact CG-CE2 4.14Å; I313-F346 PolarHBondContact O-N 3.38Å; D315-F346 WeakPolarHBondContact CB-O 3.42Å; D315-F346 PolarHBondContact N-O 3.41Å; R344-F346 HydrophobicContact CB-CE2 3.95Å; R344-F346 WeakPolarHBondContact O-CD2 3.24Å; F346-L356 HydrophobicContact CB-CD2 3.98Å; F346-L356 HydrophobicContact CD2-CD2 3.59Å; F346-L356 HydrophobicContact CE2-CD2 4.28Å; F346-L356 HydrophobicContact CG-CD2 3.83Å
347S87.4Confident87.8Confident7 Ų738.9 Ų38.95%0.04921%0.211CC..PPolyproline II helixtrans-79.4128.1170178.60000111W27 A155 L349 H350 G353W27-S347 VanDerWaalsContact CZ2-OG 3.25Å; W27-S347 WeakPolarHBondContact CZ2-OG 3.45Å; W27-S347 PolarHBondContact NE1-OG 3.4Å; A155-S347 WeakPolarHBondContact O-CB 3.42Å; A155-S347 PolarHBondContact O-OG 3.12Å; S347-L349 PolarHBondContact O-N 3.4Å; S347-L349 VanDerWaalsContact O-N 3.16Å; S347-L349 PolarHBondContact OG-N 3.03Å; S347-H350 WeakPolarHBondContact O-CB 3.37Å; S347-H350 PolarHBondContact O-N 2.89Å; S347-G353 WeakPolarHBondContact O-CA 3.49Å
348S85.4Confident87.8Confident18 Ų1842.7 Ų42.713%0.12623%0.232CC..THydrogen-bonded Turntrans-63.8-19.7178.6-530000114S314 D315 K316 R319 H350S314-S348 PolarHBondContact OG-OG 3.13Å; S314-S348 VanDerWaalsContact OG-OG 3.06Å; D315-S348 WeakPolarHBondContact OD1-CB 3.39Å; D315-S348 PolarHBondContact OD1-N 2.96Å; D315-S348 PolarHBondContact OD1-OG 2.69Å; K316-S348 WeakPolarHBondContact CB-OG 3.35Å; K316-S348 PolarHBondContact N-OG 2.77Å; R319-S348 PolarHBondContact NH2-OG 3.22Å; S348-H350 VanDerWaalsContact C-N 3.34Å
349L84.3Confident87.7Confident53 Ų5338 Ų3828%0.27721%0.207SC..THydrogen-bonded Turntrans-89.4-1.7177.1-65-177.2000113.1W27 F74 M156 T157 S347W27-L349 HydrophobicContact CD2-CD1 4.12Å; W27-L349 HydrophobicContact CE3-CD1 3.53Å; W27-L349 HydrophobicContact CE3-CG 4.46Å; W27-L349 HydrophobicContact CH2-CB 4.36Å; W27-L349 HydrophobicContact CH2-CD1 3.5Å; W27-L349 VanDerWaalsContact CH2-CD1 3.5Å; W27-L349 HydrophobicContact CH2-CG 3.5Å; W27-L349 VanDerWaalsContact CH2-CG 3.5Å; W27-L349 HydrophobicContact CZ2-CB 4.47Å; W27-L349 HydrophobicContact CZ2-CD1 4.11Å; W27-L349 HydrophobicContact CZ2-CG 4.07Å; W27-L349 HydrophobicContact CZ3-CD1 3.19Å; W27-L349 HydrophobicContact CZ3-CG 3.75Å; F74-L349 HydrophobicContact CE1-CD1 4.02Å; M156-L349 HydrophobicContact CB-CB 4.2Å; T157-L349 PolarHBondContact N-O 3.39Å; S347-L349 PolarHBondContact O-N 3.4Å; S347-L349 VanDerWaalsContact O-N 3.16Å; S347-L349 PolarHBondContact OG-N 3.03Å
350H84.4Confident87.5Confident1 Ų138.2 Ų38.21%0.00521%0.213CC..SBendtrans-93.8152.1174.1-166.3-95.9000110.6T157 E274 S347 S348 S352 G353 E354T157-H350 PolarHBondContact OG1-CD2 3.41Å; T157-H350 PolarHBondContact OG1-NE2 2.83Å; E274-H350 IonicContact OE2-ND1 2.66Å; S347-H350 WeakPolarHBondContact O-CB 3.37Å; S347-H350 PolarHBondContact O-N 2.89Å; S348-H350 VanDerWaalsContact C-N 3.34Å; H350-S352 VanDerWaalsContact C-N 3.26Å; H350-S352 PolarHBondContact ND1-N 3.07Å; H350-S352 PolarHBondContact ND1-OG 2.92Å; H350-S352 PolarHBondContact O-N 3.44Å; H350-G353 PolarHBondContact O-N 2.86Å; H350-E354 PolarHBondContact O-N 3.14Å
351V82.8Confident87.5Confident8 Ų835.6 Ų35.65%0.04819%0.186CC..Hα-helixtrans-59.9-35.5-176.9-176.90000112.2T157 L253 K254T157-V351 HydrophobicContact CG2-CG2 4.08Å; L253-V351 HydrophobicContact CD2-CG2 4.18Å; K254-V351 HydrophobicContact CB-CG1 4.03Å
352S85.3Confident87.7Confident3 Ų335.1 Ų35.12%0.02118%0.181CC..Hα-helixtrans-67.3-42.4173.952.80000112.2E274 L278 H350 E354 Q355 L356E274-S352 PolarHBondContact OE2-OG 3.05Å; L278-S352 VanDerWaalsContact CD1-O 3.29Å; L278-S352 WeakPolarHBondContact CD1-O 3.34Å; H350-S352 VanDerWaalsContact C-N 3.26Å; H350-S352 PolarHBondContact ND1-N 3.07Å; H350-S352 PolarHBondContact ND1-OG 2.92Å; H350-S352 PolarHBondContact O-N 3.44Å; S352-E354 PolarHBondContact O-N 3.21Å; S352-Q355 PolarHBondContact O-N 2.85Å; S352-L356 PolarHBondContact O-N 3.48Å; S352-L356 VanDerWaalsContact O-N 3.11Å
353G86.3Confident87.8Confident0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-68.7-31.2179.800000113.7S347 H350 Q355 L356 T357S347-G353 WeakPolarHBondContact O-CA 3.49Å; H350-G353 PolarHBondContact O-N 2.86Å; G353-Q355 VanDerWaalsContact C-N 3.29Å; G353-Q355 PolarHBondContact O-N 2.92Å; G353-L356 PolarHBondContact O-N 2.86Å; G353-T357 VanDerWaalsContact O-CB 3.31Å; G353-T357 WeakPolarHBondContact O-CB 3.36Å; G353-T357 PolarHBondContact O-N 3.41Å; G353-T357 PolarHBondContact O-OG1 2.95Å
354E86.5Confident87.9Confident76 Ų7630.3 Ų30.336%0.35516%0.155SC..Hα-helixtrans-58.1-42.6171.6-73.2178-171.100111.1K250 H350 S352 T357 Q358K250-E354 IonicContact NZ-OE1 2.7Å; K250-E354 PolarHBondContact NZ-OE1 2.79Å; K250-E354 IonicContact NZ-OE2 2.7Å; H350-E354 PolarHBondContact O-N 3.14Å; S352-E354 PolarHBondContact O-N 3.21Å; E354-T357 PolarHBondContact O-N 2.81Å; E354-Q358 WeakPolarHBondContact O-CG 3.37Å; E354-Q358 PolarHBondContact O-N 3.26Å
355Q86.7Confident88.1Confident45 Ų4527 Ų2721%0.2114%0.143CC..Hα-helixtrans-70.6-44.8178.1-64.8-170.4-24.400112.4L278 S352 G353 T357 Q358 L359L278-Q355 HydrophobicContact CD1-CB 4.33Å; L278-Q355 VanDerWaalsContact CD2-OE1 3.29Å; S352-Q355 PolarHBondContact O-N 2.85Å; G353-Q355 VanDerWaalsContact C-N 3.29Å; G353-Q355 PolarHBondContact O-N 2.92Å; Q355-T357 PolarHBondContact O-N 3.16Å; Q355-Q358 WeakPolarHBondContact O-CB 3.35Å; Q355-Q358 PolarHBondContact O-N 2.97Å; Q355-L359 PolarHBondContact O-N 3.47Å
356L89.7Confident88.2Confident1 Ų125.8 Ų25.81%0.00514%0.137CC..Hα-helixtrans-60.5-37176.9-175.963.5000111.2L278 L312 F346 S352 G353 Q358 L359 G361 A363L278-L356 HydrophobicContact CD1-CB 4.31Å; L312-L356 HydrophobicContact CB-CD1 4.14Å; L312-L356 HydrophobicContact CB-CD2 4.1Å; F346-L356 HydrophobicContact CB-CD2 3.98Å; F346-L356 HydrophobicContact CD2-CD2 3.59Å; F346-L356 HydrophobicContact CE2-CD2 4.28Å; F346-L356 HydrophobicContact CG-CD2 3.83Å; S352-L356 PolarHBondContact O-N 3.48Å; S352-L356 VanDerWaalsContact O-N 3.11Å; G353-L356 PolarHBondContact O-N 2.86Å; L356-Q358 VanDerWaalsContact C-N 3.29Å; L356-Q358 PolarHBondContact O-N 2.92Å; L356-L359 CarbonylContact O-C 3.54Å; L356-L359 WeakPolarHBondContact O-CA 3.21Å; L356-L359 PolarHBondContact O-N 3.31Å; L356-G361 WeakPolarHBondContact O-CA 3.28Å; L356-G361 PolarHBondContact O-N 3.19Å; L356-A363 HydrophobicContact CD1-CB 3.77Å
357T89.8Confident88.3Confident46 Ų4630.7 Ų30.728%0.28216%0.156SC..Hα-helixtrans-65.9-31.6176.7-56.80000112.2S314 K316 G353 E354 Q355 L359S314-T357 PolarHBondContact OG-OG1 2.86Å; K316-T357 HydrophobicContact CD-CG2 4.5Å; G353-T357 VanDerWaalsContact O-CB 3.31Å; G353-T357 WeakPolarHBondContact O-CB 3.36Å; G353-T357 PolarHBondContact O-N 3.41Å; G353-T357 PolarHBondContact O-OG1 2.95Å; E354-T357 PolarHBondContact O-N 2.81Å; Q355-T357 PolarHBondContact O-N 3.16Å; T357-L359 VanDerWaalsContact C-N 3.29Å
358Q88.7Confident88.3Confident161 Ų16134.9 Ų34.975%0.75217%0.173SC*.Hα-helixtrans-68.3-31.1171.8-68.2169-1.200111.8E354 Q355 L356 S360E354-Q358 WeakPolarHBondContact O-CG 3.37Å; E354-Q358 PolarHBondContact O-N 3.26Å; Q355-Q358 WeakPolarHBondContact O-CB 3.35Å; Q355-Q358 PolarHBondContact O-N 2.97Å; L356-Q358 VanDerWaalsContact C-N 3.29Å; L356-Q358 PolarHBondContact O-N 2.92Å; Q358-S360 PolarHBondContact O-N 3.38Å
359L87.5Confident88.3Confident40 Ų4037.8 Ų37.821%0.20919%0.192CC..THydrogen-bonded Turntrans-87.347.5174.2-60.3175.5000111.9F281 Y282 Q355 L356 T357 G361F281-L359 HydrophobicContact CE1-CD1 3.93Å; Y282-L359 HydrophobicContact CE1-CD1 4.39Å; Q355-L359 PolarHBondContact O-N 3.47Å; L356-L359 CarbonylContact O-C 3.54Å; L356-L359 WeakPolarHBondContact O-CA 3.21Å; L356-L359 PolarHBondContact O-N 3.31Å; T357-L359 VanDerWaalsContact C-N 3.29Å; L359-G361 PolarHBondContact O-N 3.23Å
360S86.4Confident88.1Confident61 Ų6136.7 Ų36.743%0.42719%0.186SC..THydrogen-bonded Turntrans63.5-7.2-176.7780000117G295 Q358 V362G295-S360 VanDerWaalsContact CA-OG 3.31Å; G295-S360 WeakPolarHBondContact CA-OG 3.38Å; G295-S360 PolarHBondContact N-OG 3.08Å; Q358-S360 PolarHBondContact O-N 3.38Å; S360-V362 VanDerWaalsContact C-N 3.35Å
361G88.2Confident87.2Confident1 Ų139.3 Ų39.31%0.0121%0.208CC..THydrogen-bonded Turntrans87-5.7-179.700000115.2S314 L317 L356 L359S314-G361 PolarHBondContact N-O 3.25Å; L317-G361 VanDerWaalsContact CD1-C 3.5Å; L317-G361 VanDerWaalsContact CD1-O 3.31Å; L317-G361 WeakPolarHBondContact CD1-O 3.43Å; L356-G361 WeakPolarHBondContact O-CA 3.28Å; L356-G361 PolarHBondContact O-N 3.19Å; L359-G361 PolarHBondContact O-N 3.23Å
362V92.3Very high86.2Confident1 Ų145.3 Ų45.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-130.5128.9175.3-167.30000110.2Y294 G295 V299 L311 I313 L317 Y329 L332 S360Y294-V362 WeakPolarHBondContact CA-O 3.38Å; G295-V362 PolarHBondContact N-O 3.11Å; V299-V362 HydrophobicContact CB-CG1 4.07Å; V299-V362 HydrophobicContact CG1-CG1 3.86Å; V299-V362 HydrophobicContact CG2-CG1 3.87Å; L311-V362 HydrophobicContact CD1-CG1 4.15Å; I313-V362 HydrophobicContact CD1-CG2 4.31Å; I313-V362 HydrophobicContact CG1-CG2 4.39Å; L317-V362 HydrophobicContact CD1-CG2 3.28Å; Y329-V362 HydrophobicContact CD1-CG2 4.23Å; Y329-V362 HydrophobicContact CE1-CG2 3.62Å; L332-V362 HydrophobicContact CD2-CG1 4.44Å; S360-V362 VanDerWaalsContact C-N 3.35Å
363A93.3Very high85.1Confident0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-142.5154.2172.400000110.7F281 F293 L312 L356F281-A363 HydrophobicContact CD2-CB 4.2Å; F281-A363 HydrophobicContact CE1-CB 4.47Å; F281-A363 HydrophobicContact CE2-CB 3.73Å; F281-A363 HydrophobicContact CZ-CB 3.88Å; F293-A363 CarbonylContact O-C 3.54Å; F293-A363 WeakPolarHBondContact O-CA 3.4Å; L312-A363 WeakPolarHBondContact CA-O 3.3Å; L312-A363 HydrophobicContact CB-CB 4.26Å; L312-A363 HydrophobicContact CD1-CB 4.31Å; L312-A363 PolarHBondContact N-O 3.07Å; L312-A363 PolarHBondContact O-N 3.37Å; L312-A363 VanDerWaalsContact O-O 3.05Å; L356-A363 HydrophobicContact CD1-CB 3.77Å
364A93.4Very high83.6Confident0 Ų048.3 Ų48.30%026%0.26CS..EExtended strand (participates in β ladder)trans-139142.1178.200000111.2F293 V299 I308 T310 L311 L366F293-A364 PolarHBondContact N-O 3.44Å; F293-A364 VanDerWaalsContact N-O 3.08Å; F293-A364 PolarHBondContact O-N 3.26Å; V299-A364 HydrophobicContact CG1-CB 4.1Å; V299-A364 HydrophobicContact CG2-CB 4.03Å; I308-A364 HydrophobicContact CD1-CB 4.28Å; I308-A364 HydrophobicContact CG1-CB 4.22Å; I308-A364 HydrophobicContact CG2-CB 4.24Å; T310-A364 WeakPolarHBondContact O-CA 3.47Å; L311-A364 HydrophobicContact CD1-CB 4.33Å; A364-L366 HydrophobicContact CB-CD2 4.4Å
365I93.6Very high81.8Confident16 Ų1650 Ų508%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-103.4128.9168.6-56.9173.7000107.3D280 F281 M284 D309 T310D280-I365 HydrophobicContact CB-CD1 4.45Å; F281-I365 HydrophobicContact CB-CD1 4.01Å; F281-I365 HydrophobicContact CB-CG1 4.17Å; F281-I365 HydrophobicContact CD2-CG1 3.97Å; M284-I365 HydrophobicContact CG-CG2 4.15Å; D309-I365 WeakPolarHBondContact CB-O 3.42Å; D309-I365 PolarHBondContact N-O 3.21Å; T310-I365 PolarHBondContact N-O 3.37Å; T310-I365 VanDerWaalsContact N-O 3.14Å; T310-I365 PolarHBondContact O-N 3.04Å
366L92.1Very high79.9Confident3 Ų350 Ų502%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-98.9149.2-176.3-52.1-169.5000113.1R291 F293 A302 A307 I308 A364 F368 I370 L373R291-L366 WeakPolarHBondContact O-CG 3.45Å; R291-L366 PolarHBondContact O-N 3.11Å; F293-L366 HydrophobicContact CD2-CD1 3.59Å; F293-L366 HydrophobicContact CD2-CG 4.11Å; F293-L366 HydrophobicContact CE2-CD1 3.53Å; F293-L366 HydrophobicContact CE2-CG 4.43Å; A302-L366 HydrophobicContact CB-CD1 4.27Å; A302-L366 HydrophobicContact CB-CD2 3.66Å; A307-L366 HydrophobicContact CB-CB 4.43Å; A307-L366 HydrophobicContact CB-CD1 4.28Å; A307-L366 HydrophobicContact CB-CD2 4.3Å; A307-L366 CarbonylContact O-C 3.6Å; A307-L366 WeakPolarHBondContact O-CA 3.49Å; I308-L366 HydrophobicContact CB-CD2 4.46Å; I308-L366 HydrophobicContact CG1-CD2 3.82Å; A364-L366 HydrophobicContact CB-CD2 4.4Å; L366-F368 WeakPolarHBondContact CB-O 3.49Å; L366-I370 HydrophobicContact CD1-CD1 4.12Å; L366-I370 HydrophobicContact CD1-CG1 4.25Å; L366-L373 HydrophobicContact CD1-CD1 4.44Å
367R89.4Confident77.8Confident103 Ų10355.7 Ų55.739%0.38931%0.306SS..SBendtrans-69.6-31.2173.3-64.8-178.2179.7159.13.4112.5R291 A307 D309 N339 G340R291-R367 PolarHBondContact NH2-O 3.05Å; A307-R367 PolarHBondContact O-N 3.4Å; D309-R367 HydrophobicContact CB-CG 3.61Å; D309-R367 IonicContact OD1-NE 3.83Å; N339-R367 PolarHBondContact O-NH2 3.31Å; G340-R367 VanDerWaalsContact C-NH2 3.33Å; G340-R367 PolarHBondContact O-NH2 3.15Å
368F87.7Confident75.5Confident96 Ų9659.8 Ų59.842%0.42133%0.326SS..SBendtrans-142.6150.8178.452.5-92.6000109.9A307 L366 I370A307-F368 HydrophobicContact CB-CD1 4.34Å; A307-F368 HydrophobicContact CB-CD2 4.29Å; A307-F368 HydrophobicContact CB-CE1 3.73Å; A307-F368 HydrophobicContact CB-CE2 3.68Å; A307-F368 HydrophobicContact CB-CZ 3.37Å; L366-F368 WeakPolarHBondContact CB-O 3.49Å; F368-I370 HydrophobicContact CD2-CD1 4.45Å; F368-I370 HydrophobicContact CD2-CG1 3.95Å; F368-I370 HydrophobicContact CE2-CD1 3.88Å; F368-I370 HydrophobicContact CE2-CG1 3.81Å
369P85.4Confident73.1Confident78 Ų7859 Ų5951%0.50633%0.327SS..  trans-67.5140.5179.226.8-33.4000111.3D290 R291D290-P369 HydrophobicContact CB-CB 3.91Å; D290-P369 WeakPolarHBondContact O-CA 3.34Å; R291-P369 HydrophobicContact CG-CB 3.81Å
370I80.2Confident70.8Confident31 Ų3161.7 Ų61.716%0.15935%0.349CS..  trans-128103.5171.5-57.3175.9000107.7D290 F293 A305 A307 L366 F368 L373D290-I370 PolarHBondContact O-N 3.12Å; D290-I370 VanDerWaalsContact O-N 3.08Å; F293-I370 WeakPolarHBondContact CZ-O 3.46Å; A305-I370 HydrophobicContact CB-CD1 3.59Å; A307-I370 HydrophobicContact CB-CD1 3.57Å; A307-I370 HydrophobicContact CB-CG1 4.46Å; L366-I370 HydrophobicContact CD1-CD1 4.12Å; L366-I370 HydrophobicContact CD1-CG1 4.25Å; F368-I370 HydrophobicContact CD2-CD1 4.45Å; F368-I370 HydrophobicContact CD2-CG1 3.95Å; F368-I370 HydrophobicContact CE2-CD1 3.88Å; F368-I370 HydrophobicContact CE2-CG1 3.81Å; I370-L373 HydrophobicContact CB-CD1 3.72Å; I370-L373 HydrophobicContact CB-CG 4.21Å; I370-L373 HydrophobicContact CD1-CD1 4.12Å; I370-L373 HydrophobicContact CG1-CD1 4.5Å; I370-L373 HydrophobicContact CG2-CD1 3.73Å; I370-L373 HydrophobicContact CG2-CG 3.69Å
371A65.3Low68.4Low56 Ų5663.7 Ų63.746%0.46336%0.363SS..G310 helixtrans-69.6-32.5-174.700000113.5L373 S374A371-L373 PolarHBondContact O-N 2.91Å; A371-L373 VanDerWaalsContact O-N 3.09Å; A371-S374 PolarHBondContact O-OG 3.08Å
372D63.1Low65.9Low133 Ų13368.5 Ų68.571%0.71140%0.397SS*.G310 helixtrans-78.16.2-171.4-63-20.3000114.8
373L61.3Low63.3Low9 Ų971.5 Ų71.55%0.04743%0.428CS..G310 helixtrans-83.8-31.5-175.8-75171.1000113.1F293 H298 R301 A302 L366 I370 A371F293-L373 HydrophobicContact CD1-CB 4.24Å; F293-L373 HydrophobicContact CD2-CD1 3.93Å; F293-L373 HydrophobicContact CE1-CB 3.61Å; F293-L373 HydrophobicContact CE1-CD1 4.42Å; F293-L373 HydrophobicContact CE2-CB 4.21Å; F293-L373 HydrophobicContact CE2-CD1 3.54Å; F293-L373 HydrophobicContact CE2-CG 4.49Å; F293-L373 HydrophobicContact CZ-CB 3.6Å; F293-L373 HydrophobicContact CZ-CD1 3.83Å; F293-L373 HydrophobicContact CZ-CG 4.31Å; H298-L373 PolarHBondContact CD2-O 3.12Å; H298-L373 VanDerWaalsContact CD2-O 3.26Å; H298-L373 PolarHBondContact NE2-O 2.88Å; R301-L373 HydrophobicContact CB-CD2 3.24Å; R301-L373 HydrophobicContact CG-CD2 4.18Å; R301-L373 PolarHBondContact NH1-O 3.11Å; R301-L373 PolarHBondContact NH2-O 2.68Å; A302-L373 HydrophobicContact CB-CD1 4.23Å; L366-L373 HydrophobicContact CD1-CD1 4.44Å; I370-L373 HydrophobicContact CB-CD1 3.72Å; I370-L373 HydrophobicContact CB-CG 4.21Å; I370-L373 HydrophobicContact CD1-CD1 4.12Å; I370-L373 HydrophobicContact CG1-CD1 4.5Å; I370-L373 HydrophobicContact CG2-CD1 3.73Å; I370-L373 HydrophobicContact CG2-CG 3.69Å; A371-L373 PolarHBondContact O-N 2.91Å; A371-L373 VanDerWaalsContact O-N 3.09Å
374S54.6Low60.4Low58 Ų5881 Ų8141%0.40647%0.472SS..G310 helixtrans-72.4-30.5-177.249.60000114.1A371 A376A371-S374 PolarHBondContact O-OG 3.08Å; S374-A376 VanDerWaalsContact C-N 3.28Å; S374-A376 PolarHBondContact O-N 2.87Å
375D48.9Very low57.5Low110 Ų11092.8 Ų92.859%0.58854%0.535SS*.G310 helixtrans-81.2-5-163.6-65.5-1.8000114.1
376A46.5Very low55.7Low47 Ų4796.6 Ų96.639%0.38856%0.558SS.*G310 helixtrans-90.1-5-177.200000114.5S374S374-A376 VanDerWaalsContact C-N 3.28Å; S374-A376 PolarHBondContact O-N 2.87Å
377E45.8Very low53.8Low120 Ų120101.5 Ų101.556%0.56159%0.586SS**SBendtrans-75.3-28.9172.9-76.4-168161.200112.1H298 D379 S380H298-E377 IonicContact CE1-OE1 3.82Å; H298-E377 PolarHBondContact CE1-OE1 3.18Å; H298-E377 IonicContact NE2-OE1 2.66Å; E377-D379 VanDerWaalsContact C-N 3.35Å; E377-D379 PolarHBondContact O-N 3.14Å; E377-S380 PolarHBondContact O-N 3.08Å; E377-S380 PolarHBondContact O-OG 3.28Å
378D41.3Very low51.8Low132 Ų132101.4 Ų101.471%0.70660%0.597SS**G310 helixtrans-68.8-29.2-177.6-79.9-21.1000113.3S380 S381D378-S380 PolarHBondContact O-N 3.34Å; D378-S381 PolarHBondContact O-OG 3.01Å
379D39.1Very low49.7Very low143 Ų143101.8 Ų101.877%0.76561%0.608SS**G310 helixtrans-80.9-10.1-179.4-84.5-19.1000114.5E377E377-D379 VanDerWaalsContact C-N 3.35Å; E377-D379 PolarHBondContact O-N 3.14Å
380S38.1Very low47.5Very low98 Ų98103.3 Ų103.369%0.68561%0.614SS**G310 helixtrans-96.4-5.5-177.868.50000114.5E377 D378E377-S380 PolarHBondContact O-N 3.08Å; E377-S380 PolarHBondContact O-OG 3.28Å; D378-S380 PolarHBondContact O-N 3.34Å
381S36.8Very low45.3Very low102 Ų102108.1 Ų108.171%0.71364%0.644SS**SBendtrans-89.2-5.5-178.571.90000114.5D378D378-S381 PolarHBondContact O-OG 3.01Å
382S35.6Very low43.9Very low103 Ų103111.8 Ų111.872%0.7266%0.657SS**SBendtrans-108.452-174.263.80000113.5
383G36.8Very low42.4Very low64 Ų64110.2 Ų110.266%0.6665%0.653SS**  trans-165.333.4-174.400000118.6
384E32.7Very low40.8Very low199 Ų199118.6 Ų118.693%0.9370%0.704SS**  trans-143.595.9157.4-70.1-168.7165.700109.3
385D33.7Very low39.6Very low247 Ų247124.1 Ų124.1100%1.32173%0.731SS**  trans-87.80158.5-92-28.7000109.8

Retrieved 385 of 385 residues in 220.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).