A0A077ZD25_TRITR Loading...

DNA repair protein XRCC1

AlphaFold DB , UniProt , Accession A0A077ZD25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.8Confident89.9Confident84 Ų8475.6 Ų75.641%0.41434%0.34SS..  01550-61.3172.583.200107.9K3 E5 I7 D75 V77 L98M1-K3 WeakPolarHBondContact CB-O 3.18Å; M1-E5 HydrophobicContact CE-CB 3.91Å; M1-E5 HydrophobicContact CE-CG 4.38Å; M1-I7 HydrophobicContact CE-CG1 4.47Å; M1-I7 HydrophobicContact SD-CD1 4.45Å; M1-D75 PolarHBondContact N-O 3.32Å; M1-V77 HydrophobicContact CG-CG2 4.35Å; M1-V77 HydrophobicContact SD-CG2 3.88Å; M1-L98 HydrophobicContact CE-CD1 4.22Å; M1-L98 HydrophobicContact SD-CD1 4.22Å
2R82.8Confident90.5Very high263 Ų26369.3 Ų69.399%0.99231%0.312SS*.  trans-75.5-32.8-178.5-71.2-175-173.1157.52112.6
3K87.6Confident90.9Very high125 Ų12564.1 Ų64.154%0.54329%0.289SS..SBendtrans-128.6159.5171.862.6178.1-173.9170.30108.6M1 E5M1-K3 WeakPolarHBondContact CB-O 3.18Å; K3-E5 HydrophobicContact CD-CG 4.22Å; K3-E5 WeakPolarHBondContact CE-OE1 3.16Å; K3-E5 HydrophobicContact CG-CG 3.66Å; K3-E5 WeakPolarHBondContact CG-OE1 3.13Å; K3-E5 IonicContact NZ-OE1 2.7Å
4A89.3Confident91.3Very high50 Ų5059.5 Ų59.541%0.41327%0.268SS..  trans-74.1124.2172.100000108.7L73 W74 D75A4-L73 HydrophobicContact CB-CB 4.13Å; A4-W74 VanDerWaalsContact CA-O 3.29Å; A4-W74 WeakPolarHBondContact CA-O 3.47Å; A4-D75 HydrophobicContact CB-CB 4.14Å
5E91.2Very high91.5Very high46 Ų4660.4 Ų60.422%0.21527%0.273CS..BIsolated β-bridgetrans-132158-175.7-62176.7-179.700110.5M1 K3 W74M1-E5 HydrophobicContact CE-CB 3.91Å; M1-E5 HydrophobicContact CE-CG 4.38Å; K3-E5 HydrophobicContact CD-CG 4.22Å; K3-E5 WeakPolarHBondContact CE-OE1 3.16Å; K3-E5 HydrophobicContact CG-CG 3.66Å; K3-E5 WeakPolarHBondContact CG-OE1 3.13Å; K3-E5 IonicContact NZ-OE1 2.7Å; E5-W74 PolarHBondContact N-O 3.42Å; E5-W74 PolarHBondContact O-N 3.13Å
6R92.2Very high91.7Very high122 Ų12256.8 Ų56.846%0.4626%0.257SS..  trans-81.5146.3167.4-58.4-170-178.8-149.2-3.5108.2D71 L73 S100 P101R6-D71 PolarHBondContact NE-O 2.73Å; R6-D71 PolarHBondContact NH1-O 3.22Å; R6-L73 HydrophobicContact CB-CD2 4.47Å; R6-L73 HydrophobicContact CG-CD2 3.49Å; R6-L73 VanDerWaalsContact CG-CD2 3.49Å; R6-L73 HydrophobicContact CG-CG 4.27Å; R6-S100 VanDerWaalsContact O-CA 3.27Å; R6-S100 WeakPolarHBondContact O-CA 3.35Å; R6-S100 WeakPolarHBondContact O-CB 3.5Å; R6-P101 HydrophobicContact CB-CG 4.02Å; R6-P101 VanDerWaalsContact O-CD 3.24Å; R6-P101 WeakPolarHBondContact O-CD 3.41Å
7I92Very high91.9Very high3 Ų353.5 Ų53.52%0.01524%0.242CC..  trans-111.5113.1179.3-60.5168.6000107.5M1 I10 V24 L36 L65 V77 L98M1-I7 HydrophobicContact CE-CG1 4.47Å; M1-I7 HydrophobicContact SD-CD1 4.45Å; I7-I10 HydrophobicContact CG2-CD1 4.01Å; I7-I10 HydrophobicContact CG2-CG1 3.61Å; I7-V24 HydrophobicContact CD1-CG1 4.04Å; I7-L36 HydrophobicContact CB-CD2 4.02Å; I7-L36 HydrophobicContact CD1-CD2 3.71Å; I7-L36 HydrophobicContact CG1-CD2 4.46Å; I7-L36 HydrophobicContact CG2-CD2 4.03Å; I7-L65 HydrophobicContact CG2-CD1 4.35Å; I7-V77 HydrophobicContact CD1-CG2 4.27Å; I7-L98 HydrophobicContact CD1-CD1 4.28Å; I7-L98 HydrophobicContact CD1-CD2 4.45Å; I7-L98 HydrophobicContact CG2-CD2 4.31Å
8E91.7Very high92.1Very high92 Ų9250.5 Ų50.543%0.4323%0.228SC..  trans-92.3-39.7179.7-179.3172-169.900111.7S61 K62 Q99 P101E8-S61 CarbonylContact O-C 3.5Å; E8-K62 HydrophobicContact CG-CB 4.34Å; E8-K62 VanDerWaalsContact O-CA 3.25Å; E8-K62 WeakPolarHBondContact O-CA 3.16Å; E8-K62 WeakPolarHBondContact O-CB 3.41Å; E8-K62 PolarHBondContact O-N 2.88Å; E8-Q99 PolarHBondContact N-O 2.83Å; E8-P101 VanDerWaalsContact OE2-CA 3.29Å; E8-P101 WeakPolarHBondContact OE2-CA 3.41Å; E8-P101 WeakPolarHBondContact OE2-CB 3.45Å
9S93.2Very high92.3Very high16 Ų1651.4 Ų51.411%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-142.3153.8179.31030000111.8F60 Q99S9-F60 CarbonylContact C-O 3.54Å; S9-F60 WeakPolarHBondContact CA-O 3.35Å; S9-F60 WeakPolarHBondContact CB-O 3.48Å; S9-Q99 PolarHBondContact N-O 3.26Å; S9-Q99 PolarHBondContact O-N 2.87Å; S9-Q99 WeakPolarHBondContact OG-CB 3.33Å; S9-Q99 WeakPolarHBondContact OG-CG 3.4Å; S9-Q99 PolarHBondContact OG-OE1 2.7Å
10I95.6Very high92.5Very high0 Ų048.9 Ų48.90%022%0.22CC..EExtended strand (participates in β ladder)trans-132.8127.6179.5-52.3178.4000108.9I7 I12 I22 L36 F60 L65 I96 R97 L98I7-I10 HydrophobicContact CG2-CD1 4.01Å; I7-I10 HydrophobicContact CG2-CG1 3.61Å; I10-I12 HydrophobicContact CG2-CD1 4.2Å; I10-I12 HydrophobicContact CG2-CG1 3.76Å; I10-I22 HydrophobicContact CD1-CD1 3.8Å; I10-I22 HydrophobicContact CD1-CG2 4.45Å; I10-I22 HydrophobicContact CG2-CD1 3.6Å; I10-L36 HydrophobicContact CD1-CD2 3.84Å; I10-L36 HydrophobicContact CD1-CG 4.4Å; I10-F60 HydrophobicContact CB-CB 4.46Å; I10-F60 PolarHBondContact N-O 3.14Å; I10-F60 PolarHBondContact O-N 2.97Å; I10-L65 HydrophobicContact CD1-CD1 4.45Å; I10-L65 HydrophobicContact CD1-CD2 3.72Å; I10-L65 HydrophobicContact CG1-CD1 4.44Å; I10-L65 HydrophobicContact CG1-CD2 4.2Å; I10-I96 HydrophobicContact CG2-CD1 4.43Å; I10-I96 HydrophobicContact CG2-CG1 4.26Å; I10-R97 CarbonylContact C-O 3.51Å; I10-R97 WeakPolarHBondContact CA-O 3.21Å; I10-L98 HydrophobicContact CB-CD2 4.38Å; I10-L98 HydrophobicContact CD1-CD2 4.13Å; I10-L98 HydrophobicContact CG1-CD2 3.84Å; I10-L98 HydrophobicContact CG2-CD2 3.9Å
11Q96.2Very high92.7Very high31 Ų3148.6 Ų48.615%0.14522%0.22CC..EExtended strand (participates in β ladder)trans-109.9129.4170.5-48-177.2-1.200108.8M59 F95 I96 R97Q11-M59 HydrophobicContact CB-CG 4.34Å; Q11-M59 HydrophobicContact CG-CB 4.43Å; Q11-M59 HydrophobicContact CG-CG 3.9Å; Q11-M59 HydrophobicContact CG-SD 4.29Å; Q11-F95 HydrophobicContact CB-CE2 4.25Å; Q11-I96 CarbonylContact O-C 3.52Å; Q11-I96 WeakPolarHBondContact O-CA 3.4Å; Q11-R97 HydrophobicContact CB-CB 4.21Å; Q11-R97 PolarHBondContact N-O 3.09Å; Q11-R97 PolarHBondContact O-N 3.3Å
12I97Very high93.6Very high0 Ų044.6 Ų44.60%020%0.2CC..EExtended strand (participates in β ladder)trans-125.5120.6-178.2-52.6-177.4000107.9I10 V20 I22 L37 F42 V57 R58 F60 L93I10-I12 HydrophobicContact CG2-CD1 4.2Å; I10-I12 HydrophobicContact CG2-CG1 3.76Å; I12-V20 HydrophobicContact CD1-CG1 4.06Å; I12-V20 HydrophobicContact CG2-CG1 4.4Å; I12-I22 HydrophobicContact CD1-CD1 3.49Å; I12-I22 VanDerWaalsContact CD1-CD1 3.49Å; I12-I22 HydrophobicContact CD1-CG1 4.26Å; I12-I22 HydrophobicContact CG1-CD1 4.25Å; I12-L37 HydrophobicContact CD1-CD2 3.9Å; I12-F42 HydrophobicContact CB-CE1 3.98Å; I12-F42 HydrophobicContact CB-CZ 3.65Å; I12-F42 HydrophobicContact CD1-CE2 4.41Å; I12-F42 HydrophobicContact CD1-CZ 3.98Å; I12-F42 HydrophobicContact CG1-CZ 4.34Å; I12-F42 HydrophobicContact CG2-CE1 3.89Å; I12-F42 HydrophobicContact CG2-CE2 4.42Å; I12-F42 HydrophobicContact CG2-CZ 3.64Å; I12-V57 CarbonylContact O-C 3.56Å; I12-V57 WeakPolarHBondContact O-CA 3.19Å; I12-R58 PolarHBondContact N-O 2.91Å; I12-R58 PolarHBondContact O-N 3.05Å; I12-F60 HydrophobicContact CB-CE2 4.31Å; I12-F60 HydrophobicContact CD1-CD2 4.06Å; I12-F60 HydrophobicContact CD1-CE2 3.6Å; I12-F60 HydrophobicContact CG1-CD2 4.21Å; I12-F60 HydrophobicContact CG1-CE2 3.91Å; I12-L93 HydrophobicContact CG2-CD1 4.13Å; I12-L93 HydrophobicContact CG2-CD2 3.53Å; I12-L93 HydrophobicContact CG2-CG 4.43Å
13G96.7Very high94.3Very high1 Ų133.4 Ų33.41%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-94.6115.5165.400000109.3L93 S94 F95G13-L93 CarbonylContact O-C 3.59Å; G13-L93 WeakPolarHBondContact O-CA 3.35Å; G13-S94 PolarHBondContact O-N 3.08Å; G13-F95 PolarHBondContact N-O 3.39Å; G13-F95 PolarHBondContact O-N 2.88Å
14N96.2Very high94.6Very high0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-69.2156.8177.7-165.926.3000111.7S17 F42 M54 N55 R56 G92N14-S17 PolarHBondContact ND2-N 2.9Å; N14-S17 PolarHBondContact ND2-O 3.04Å; N14-S17 WeakPolarHBondContact OD1-CA 3.29Å; N14-S17 WeakPolarHBondContact OD1-CB 3.46Å; N14-S17 PolarHBondContact OD1-N 3.4Å; N14-S17 PolarHBondContact OD1-O 3.2Å; N14-F42 HydrophobicContact CB-CB 4.19Å; N14-F42 HydrophobicContact CB-CD1 3.74Å; N14-F42 HydrophobicContact CB-CG 4.23Å; N14-F42 WeakPolarHBondContact ND2-CB 3.3Å; N14-M54 CarbonylContact C-O 3.52Å; N14-M54 PolarHBondContact ND2-O 3.17Å; N14-N55 WeakPolarHBondContact O-CA 3.36Å; N14-R56 VanDerWaalsContact CB-O 3.25Å; N14-R56 WeakPolarHBondContact CB-O 3.16Å; N14-R56 PolarHBondContact N-O 2.95Å; N14-G92 PolarHBondContact OD1-O 2.89Å
15E94.7Very high94.8Very high73 Ų7325.1 Ų25.134%0.34111%0.113SC..EExtended strand (participates in β ladder)trans-140.386.8162.4-170.873.3-149.100106.8S17 N55 Y91 G92E15-S17 PolarHBondContact O-N 3.33Å; E15-S17 VanDerWaalsContact O-N 3.07Å; E15-N55 PolarHBondContact OE2-OD1 2.72Å; E15-Y91 WeakPolarHBondContact O-CA 3.45Å; E15-G92 CarbonylContact C-O 3.54Å; E15-G92 PolarHBondContact N-O 3.32Å; E15-G92 VanDerWaalsContact N-O 3.13Å; E15-G92 CarbonylContact O-C 3.58Å; E15-G92 PolarHBondContact O-N 3.24Å
16T94Very high94.8Very high3 Ų328.2 Ų28.22%0.01812%0.123CC..BIsolated β-bridgetrans61.48.6178.7810000118M43 M54 Q83 V89 G90 Y91T16-M43 VanDerWaalsContact C-SD 3.58Å; T16-M54 HydrophobicContact CG2-CB 4Å; T16-M54 HydrophobicContact CG2-CE 3.23Å; T16-M54 HydrophobicContact CG2-CG 3.99Å; T16-M54 HydrophobicContact CG2-SD 4.43Å; T16-M54 PolarHBondContact N-O 3.25Å; T16-M54 VanDerWaalsContact N-O 3.13Å; T16-Q83 PolarHBondContact O-NE2 3.47Å; T16-V89 HydrophobicContact CG2-CG1 4.2Å; T16-G90 PolarHBondContact OG1-O 3.37Å; T16-Y91 WeakPolarHBondContact OG1-CA 3.46Å; T16-Y91 WeakPolarHBondContact OG1-CB 3.29Å
17S95.2Very high94.5Very high0 Ų024.7 Ų24.70%012%0.12CC..  trans-76.2138.6173.5-580000111.7N14 E15 C81 G92N14-S17 PolarHBondContact ND2-N 2.9Å; N14-S17 PolarHBondContact ND2-O 3.04Å; N14-S17 WeakPolarHBondContact OD1-CA 3.29Å; N14-S17 WeakPolarHBondContact OD1-CB 3.46Å; N14-S17 PolarHBondContact OD1-N 3.4Å; N14-S17 PolarHBondContact OD1-O 3.2Å; E15-S17 PolarHBondContact O-N 3.33Å; E15-S17 VanDerWaalsContact O-N 3.07Å; S17-C81 WeakPolarHBondContact OG-CB 3.41Å; S17-G92 WeakPolarHBondContact OG-CA 3.42Å; S17-G92 PolarHBondContact OG-N 3.36Å; S17-G92 PolarHBondContact OG-O 3.06Å
18A94.9Very high94.2Very high0 Ų031.1 Ų31.10%016%0.159CC..SBendtrans-80.9-43.5175.700000112A41 F42 M43 T82 F85A18-A41 CarbonylContact O-C 3.47Å; A18-A41 WeakPolarHBondContact O-CA 2.7Å; A18-F42 PolarHBondContact O-N 2.71Å; A18-M43 PolarHBondContact O-N 2.71Å; A18-T82 WeakPolarHBondContact CB-O 3.21Å; A18-T82 PolarHBondContact N-O 2.83Å; A18-F85 HydrophobicContact CB-CD2 3.76Å; A18-F85 HydrophobicContact CB-CE2 3.74Å
19F96.1Very high93.7Very high68 Ų6828.7 Ų28.730%0.29815%0.152SC..EExtended strand (participates in β ladder)trans-127.8141.2178.4-56.5-84000110.5M40 A41 T82 P84 F85F19-M40 VanDerWaalsContact CA-O 3.3Å; F19-M40 WeakPolarHBondContact CA-O 3.38Å; F19-A41 HydrophobicContact CD1-CB 4.03Å; F19-A41 HydrophobicContact CE1-CB 3.87Å; F19-T82 PolarHBondContact N-O 2.73Å; F19-T82 PolarHBondContact O-N 2.83Å; F19-P84 HydrophobicContact CD2-CG 4.46Å; F19-P84 HydrophobicContact CE2-CG 4.16Å; F19-F85 AromaticContact CE2-CE2 3.64Å; F19-F85 HydrophobicContact CE2-CE2 3.64Å; F19-F85 AromaticContact CE2-CZ 3.78Å; F19-F85 HydrophobicContact CE2-CZ 3.78Å; F19-F85 HydrophobicContact CZ-CE2 4.15Å; F19-F85 HydrophobicContact CZ-CZ 4.12Å
20V97Very high92.8Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-130.2126.5174.1-174.40000108.5I12 M40 F42 V79 I80 L93I12-V20 HydrophobicContact CD1-CG1 4.06Å; I12-V20 HydrophobicContact CG2-CG1 4.4Å; V20-M40 PolarHBondContact N-O 2.92Å; V20-M40 PolarHBondContact O-N 2.98Å; V20-F42 HydrophobicContact CB-CD2 3.82Å; V20-F42 HydrophobicContact CB-CE2 3.61Å; V20-F42 HydrophobicContact CG2-CD2 3.51Å; V20-F42 HydrophobicContact CG2-CE2 3.72Å; V20-F42 HydrophobicContact CG2-CG 4.2Å; V20-F42 HydrophobicContact CG2-CZ 4.5Å; V20-V79 HydrophobicContact CG1-CG1 4.02Å; V20-I80 WeakPolarHBondContact CA-O 3.42Å; V20-L93 HydrophobicContact CG1-CD1 4.34Å; V20-L93 HydrophobicContact CG1-CD2 4.22Å; V20-L93 HydrophobicContact CG2-CD2 3.76Å
21E96.3Very high92.1Very high44 Ų4437.8 Ų37.821%0.20621%0.207CC..EExtended strand (participates in β ladder)trans-117.9143.4174.8-175.8-174.4150.300109.3Q23 V35 L37 A39 I80E21-Q23 HydrophobicContact CG-CG 4.41Å; E21-Q23 WeakPolarHBondContact OE1-CG 3.43Å; E21-Q23 PolarHBondContact OE1-NE2 2.8Å; E21-V35 HydrophobicContact CG-CG1 4.49Å; E21-L37 WeakPolarHBondContact CG-O 3.27Å; E21-A39 HydrophobicContact CB-CB 4.12Å; E21-I80 HydrophobicContact CB-CB 4.25Å; E21-I80 PolarHBondContact N-O 2.9Å; E21-I80 PolarHBondContact O-N 2.97Å
22I96.5Very high91.8Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-121.9121.4175.3-57.7176.6000109.3I10 I12 L36 L37 V77 I96I10-I22 HydrophobicContact CD1-CD1 3.8Å; I10-I22 HydrophobicContact CD1-CG2 4.45Å; I10-I22 HydrophobicContact CG2-CD1 3.6Å; I12-I22 HydrophobicContact CD1-CD1 3.49Å; I12-I22 VanDerWaalsContact CD1-CD1 3.49Å; I12-I22 HydrophobicContact CD1-CG1 4.26Å; I12-I22 HydrophobicContact CG1-CD1 4.25Å; I22-L36 PolarHBondContact O-N 3.17Å; I22-L37 HydrophobicContact CB-CB 3.93Å; I22-L37 HydrophobicContact CD1-CD2 4.07Å; I22-L37 HydrophobicContact CG1-CB 4.39Å; I22-L37 HydrophobicContact CG1-CD2 4.35Å; I22-L37 PolarHBondContact N-O 2.8Å; I22-L37 PolarHBondContact O-N 3.42Å; I22-V77 HydrophobicContact CG2-CG1 3.62Å; I22-I96 HydrophobicContact CD1-CD1 3.74Å; I22-I96 HydrophobicContact CG1-CD1 4.48Å
23Q95.8Very high91.6Very high28 Ų2846.1 Ų46.113%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-111.3150.9172.4-53.7176.6-11.200109.4E21 Y33 E34 V35 K78 I80E21-Q23 HydrophobicContact CG-CG 4.41Å; E21-Q23 WeakPolarHBondContact OE1-CG 3.43Å; E21-Q23 PolarHBondContact OE1-NE2 2.8Å; Q23-Y33 HydrophobicContact CB-CD1 4.24Å; Q23-E34 CarbonylContact C-O 3.35Å; Q23-E34 WeakPolarHBondContact CA-O 3.24Å; Q23-V35 HydrophobicContact CG-CG2 4.28Å; Q23-K78 HydrophobicContact CB-CB 4.31Å; Q23-K78 PolarHBondContact N-O 2.76Å; Q23-K78 PolarHBondContact O-N 3.3Å; Q23-I80 HydrophobicContact CG-CD1 4.28Å
24V95.1Very high91.5Very high0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-125.1147.3178.7-67.50000109.8I7 Y33 E34 L36 V69 W74 R76 V77I7-V24 HydrophobicContact CD1-CG1 4.04Å; V24-Y33 CarbonylContact O-C 3.41Å; V24-Y33 WeakPolarHBondContact O-CA 3.39Å; V24-E34 PolarHBondContact N-O 3.42Å; V24-E34 PolarHBondContact O-N 3.01Å; V24-L36 HydrophobicContact CG1-CB 3.87Å; V24-L36 HydrophobicContact CG1-CD2 3.61Å; V24-L36 HydrophobicContact CG1-CG 4.35Å; V24-L36 HydrophobicContact CG2-CB 3.96Å; V24-V69 HydrophobicContact CG2-CG1 3.28Å; V24-W74 HydrophobicContact CB-CB 3.93Å; V24-W74 HydrophobicContact CB-CD2 3.66Å; V24-W74 HydrophobicContact CB-CE3 4.04Å; V24-W74 HydrophobicContact CB-CG 3.59Å; V24-W74 HydrophobicContact CG1-CB 4.35Å; V24-W74 HydrophobicContact CG1-CG 4.22Å; V24-W74 HydrophobicContact CG2-CD2 3.37Å; V24-W74 HydrophobicContact CG2-CE3 3.88Å; V24-W74 HydrophobicContact CG2-CG 3.65Å; V24-W74 HydrophobicContact CG2-CH2 4.32Å; V24-W74 HydrophobicContact CG2-CZ2 3.89Å; V24-W74 HydrophobicContact CG2-CZ3 4.31Å; V24-R76 WeakPolarHBondContact CA-O 3.42Å; V24-V77 HydrophobicContact CG1-CG2 4.29Å
25G93.3Very high91.5Very high0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-144.7168.6-179.300000110.5E32 D75 R76G25-E32 WeakPolarHBondContact CA-O 3.31Å; G25-D75 PolarHBondContact O-N 2.86Å; G25-D75 VanDerWaalsContact O-OD1 3.09Å; G25-R76 PolarHBondContact N-O 3.25Å; G25-R76 PolarHBondContact O-N 2.98Å
26R90.9Very high91.5Very high112 Ų11249.3 Ų49.342%0.42326%0.262SS..  trans-104.7143.2172.8-66.3-174.8-176.2172.910.6109.3V28 S29 L73 W74 D75R26-V28 PolarHBondContact O-N 3.26Å; R26-V28 VanDerWaalsContact O-N 3.14Å; R26-S29 CarbonylContact O-C 3.57Å; R26-S29 PolarHBondContact O-N 3.11Å; R26-L73 PolarHBondContact NE-O 2.74Å; R26-W74 HydrophobicContact CG-CE3 3.82Å; R26-W74 HydrophobicContact CG-CZ3 3.95Å; R26-D75 WeakPolarHBondContact CA-OD1 3.36Å
27A85.7Confident91.6Very high48 Ų4849.2 Ų49.240%0.39726%0.261SS..THydrogen-bonded Turntrans-65.6-21.5-179.300000112.3D75A27-D75 WeakPolarHBondContact CB-OD2 3.44Å; A27-D75 PolarHBondContact N-OD1 2.93Å; A27-D75 PolarHBondContact N-OD2 3.02Å
28V85.4Confident91.6Very high138 Ų13852 Ų5284%0.83628%0.279SS*.THydrogen-bonded Turntrans-67.5-35.5174.3-175.10000111.8R26R26-V28 PolarHBondContact O-N 3.26Å; R26-V28 VanDerWaalsContact O-N 3.14Å
29S82.2Confident91.6Very high40 Ų4054.7 Ų54.728%0.2830%0.301SS..SBendtrans-11294.2-179.9-60.30000109.6R26 D31 E32R26-S29 CarbonylContact O-C 3.57Å; R26-S29 PolarHBondContact O-N 3.11Å; S29-D31 VanDerWaalsContact C-N 3.27Å; S29-D31 PolarHBondContact O-N 3.29Å; S29-E32 WeakPolarHBondContact CB-OE2 3.44Å; S29-E32 PolarHBondContact OG-OE2 2.86Å
30A73.7Confident91.5Very high54 Ų5454.1 Ų54.145%0.44630%0.3SS..THydrogen-bonded Turntrans-61.2-31.1-169.800000114.7
31D80.2Confident91.4Very high153 Ų15356.5 Ų56.582%0.81832%0.32SS*.THydrogen-bonded Turntrans-110.5-2.4-171.8-63.5-36.1000114.1S29 Y33S29-D31 VanDerWaalsContact C-N 3.27Å; S29-D31 PolarHBondContact O-N 3.29Å; D31-Y33 PolarHBondContact O-N 3.08Å
32E90.5Very high91.3Very high132 Ų13254.4 Ų54.462%0.61731%0.31SS*.  trans-93.899.2-179.2-65.4177.9162.100109.9G25 S29G25-E32 WeakPolarHBondContact CA-O 3.31Å; S29-E32 WeakPolarHBondContact CB-OE2 3.44Å; S29-E32 PolarHBondContact OG-OE2 2.86Å
33Y93.7Very high91.2Very high75 Ų7554.6 Ų54.629%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-110.6125.7173-75.9-85.8000110Q23 V24 D31 R76 K78Q23-Y33 HydrophobicContact CB-CD1 4.24Å; V24-Y33 CarbonylContact O-C 3.41Å; V24-Y33 WeakPolarHBondContact O-CA 3.39Å; D31-Y33 PolarHBondContact O-N 3.08Å; Y33-R76 HydrophobicContact CE1-CB 4.39Å; Y33-K78 HydrophobicContact CD1-CB 3.71Å; Y33-K78 HydrophobicContact CD1-CD 4.14Å; Y33-K78 HydrophobicContact CD2-CD 4.31Å; Y33-K78 HydrophobicContact CE1-CB 3.52Å; Y33-K78 HydrophobicContact CE1-CD 4.21Å; Y33-K78 HydrophobicContact CE1-CG 4.5Å; Y33-K78 HydrophobicContact CE2-CD 4.37Å; Y33-K78 HydrophobicContact CG-CD 4.18Å
34E93.8Very high91.1Very high86 Ų8655.4 Ų55.440%0.40232%0.32SS..EExtended strand (participates in β ladder)trans-101.1141.7173.6-66.1-170.4176.900110.4Q23 V24 L36 V69 W74Q23-E34 CarbonylContact C-O 3.35Å; Q23-E34 WeakPolarHBondContact CA-O 3.24Å; V24-E34 PolarHBondContact N-O 3.42Å; V24-E34 PolarHBondContact O-N 3.01Å; E34-L36 PolarHBondContact O-N 2.92Å; E34-V69 HydrophobicContact CB-CG1 4.02Å; E34-V69 HydrophobicContact CB-CG2 4.14Å; E34-W74 HydrophobicContact CB-CH2 4.18Å; E34-W74 HydrophobicContact CG-CH2 4.09Å; E34-W74 WeakPolarHBondContact OE2-CH2 3.3Å
35V95.9Very high91Very high55 Ų5558.7 Ų58.733%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-74.9113.2-179.7-1790000109.5E21 Q23 P38 V66E21-V35 HydrophobicContact CG-CG1 4.49Å; Q23-V35 HydrophobicContact CG-CG2 4.28Å; V35-P38 HydrophobicContact CG1-CB 4.47Å; V35-P38 HydrophobicContact CG1-CG 4.3Å; V35-V66 WeakPolarHBondContact O-CG2 3.46Å
36L95.6Very high90.9Very high0 Ų065.4 Ų65.40%037%0.371CS..EExtended strand (participates in β ladder)trans-88.4-45.8174.5178.763.1000111.3I7 I10 I22 V24 E34 L65 V66 V69 A70I7-L36 HydrophobicContact CB-CD2 4.02Å; I7-L36 HydrophobicContact CD1-CD2 3.71Å; I7-L36 HydrophobicContact CG1-CD2 4.46Å; I7-L36 HydrophobicContact CG2-CD2 4.03Å; I10-L36 HydrophobicContact CD1-CD2 3.84Å; I10-L36 HydrophobicContact CD1-CG 4.4Å; I22-L36 PolarHBondContact O-N 3.17Å; V24-L36 HydrophobicContact CG1-CB 3.87Å; V24-L36 HydrophobicContact CG1-CD2 3.61Å; V24-L36 HydrophobicContact CG1-CG 4.35Å; V24-L36 HydrophobicContact CG2-CB 3.96Å; E34-L36 PolarHBondContact O-N 2.92Å; L36-L65 HydrophobicContact CD1-CB 4.02Å; L36-L65 HydrophobicContact CD1-CD1 4.28Å; L36-L65 HydrophobicContact CG-CD1 4.49Å; L36-L65 HydrophobicContact CG-CD2 4.28Å; L36-L65 WeakPolarHBondContact O-CA 3.46Å; L36-V66 PolarHBondContact O-N 3.31Å; L36-V69 HydrophobicContact CB-CG1 4.18Å; L36-V69 HydrophobicContact CD1-CB 4.2Å; L36-V69 HydrophobicContact CD1-CG1 4.02Å; L36-A70 HydrophobicContact CD1-CB 3.82Å
37L95.5Very high91.1Very high0 Ų061.7 Ų61.70%036%0.358CS..EExtended strand (participates in β ladder)trans-122.8112.8173.8-176.768.4000108.1I12 E21 I22 M40 F60 L65I12-L37 HydrophobicContact CD1-CD2 3.9Å; E21-L37 WeakPolarHBondContact CG-O 3.27Å; I22-L37 HydrophobicContact CB-CB 3.93Å; I22-L37 HydrophobicContact CD1-CD2 4.07Å; I22-L37 HydrophobicContact CG1-CB 4.39Å; I22-L37 HydrophobicContact CG1-CD2 4.35Å; I22-L37 PolarHBondContact N-O 2.8Å; I22-L37 PolarHBondContact O-N 3.42Å; L37-M40 HydrophobicContact CD1-CG 3.9Å; L37-M40 HydrophobicContact CD2-CG 4.15Å; L37-M40 HydrophobicContact CG-CG 3.93Å; L37-F60 HydrophobicContact CD1-CB 4.3Å; L37-F60 HydrophobicContact CD1-CD1 3.76Å; L37-F60 HydrophobicContact CD1-CE1 4.23Å; L37-F60 HydrophobicContact CD1-CG 3.94Å; L37-F60 HydrophobicContact CD2-CD1 4.17Å; L37-F60 HydrophobicContact CD2-CD2 3.66Å; L37-F60 HydrophobicContact CD2-CE1 4.23Å; L37-F60 HydrophobicContact CD2-CE2 3.75Å; L37-F60 HydrophobicContact CD2-CG 3.88Å; L37-F60 HydrophobicContact CD2-CZ 4.03Å; L37-L65 HydrophobicContact CB-CD2 4.25Å; L37-L65 HydrophobicContact CD1-CD2 4.12Å
38P95.3Very high91.4Very high58 Ų5859.4 Ų59.438%0.37734%0.339SS..EExtended strand (participates in β ladder)trans-55.3161.8173.8-24.434.4000112V35 M40 V66V35-P38 HydrophobicContact CG1-CB 4.47Å; V35-P38 HydrophobicContact CG1-CG 4.3Å; P38-M40 VanDerWaalsContact O-CG 3.3Å; P38-M40 WeakPolarHBondContact O-CG 3.36Å; P38-M40 PolarHBondContact O-N 3.33Å; P38-V66 HydrophobicContact CG-CG2 4.36Å
39A95.3Very high91.7Very high57 Ų5758.9 Ų58.947%0.47133%0.327SS..EExtended strand (participates in β ladder)trans-56.2107.1178.800000111.9E21E21-A39 HydrophobicContact CB-CB 4.12Å
40M94.6Very high92.1Very high56 Ų5663 Ų6328%0.27634%0.342SS..EExtended strand (participates in β ladder)trans-98.9135.2-179.3-66-52.6-65.800110.4F19 V20 L37 P38 F42 F60F19-M40 VanDerWaalsContact CA-O 3.3Å; F19-M40 WeakPolarHBondContact CA-O 3.38Å; V20-M40 PolarHBondContact N-O 2.92Å; V20-M40 PolarHBondContact O-N 2.98Å; L37-M40 HydrophobicContact CD1-CG 3.9Å; L37-M40 HydrophobicContact CD2-CG 4.15Å; L37-M40 HydrophobicContact CG-CG 3.93Å; P38-M40 VanDerWaalsContact O-CG 3.3Å; P38-M40 WeakPolarHBondContact O-CG 3.36Å; P38-M40 PolarHBondContact O-N 3.33Å; M40-F42 HydrophobicContact CB-CE2 4.18Å; M40-F42 WeakPolarHBondContact O-CD2 3.22Å; M40-F42 PolarHBondContact O-N 3.42Å; M40-F60 HydrophobicContact CB-CE1 4.24Å; M40-F60 HydrophobicContact CB-CZ 4.15Å; M40-F60 HydrophobicContact CE-CE1 4.2Å; M40-F60 HydrophobicContact CG-CE1 3.75Å; M40-F60 HydrophobicContact CG-CZ 4.07Å
41A94.4Very high92.9Very high50 Ų5063.4 Ų63.441%0.41334%0.336SS..EExtended strand (participates in β ladder)trans-72.8124.9174.200000111.3A18 F19 R58A18-A41 CarbonylContact O-C 3.47Å; A18-A41 WeakPolarHBondContact O-CA 2.7Å; F19-A41 HydrophobicContact CD1-CB 4.03Å; F19-A41 HydrophobicContact CE1-CB 3.87Å; A41-R58 PolarHBondContact O-NH1 2.88Å
42F94.5Very high93.3Very high1 Ų159.6 Ų59.60%0.00432%0.316CS..SBendtrans-103.9-26.3170.6-80.7-99.5000112.3I12 N14 A18 V20 M40 R56 R58 F60I12-F42 HydrophobicContact CB-CE1 3.98Å; I12-F42 HydrophobicContact CB-CZ 3.65Å; I12-F42 HydrophobicContact CD1-CE2 4.41Å; I12-F42 HydrophobicContact CD1-CZ 3.98Å; I12-F42 HydrophobicContact CG1-CZ 4.34Å; I12-F42 HydrophobicContact CG2-CE1 3.89Å; I12-F42 HydrophobicContact CG2-CE2 4.42Å; I12-F42 HydrophobicContact CG2-CZ 3.64Å; N14-F42 HydrophobicContact CB-CB 4.19Å; N14-F42 HydrophobicContact CB-CD1 3.74Å; N14-F42 HydrophobicContact CB-CG 4.23Å; N14-F42 WeakPolarHBondContact ND2-CB 3.3Å; A18-F42 PolarHBondContact O-N 2.71Å; V20-F42 HydrophobicContact CB-CD2 3.82Å; V20-F42 HydrophobicContact CB-CE2 3.61Å; V20-F42 HydrophobicContact CG2-CD2 3.51Å; V20-F42 HydrophobicContact CG2-CE2 3.72Å; V20-F42 HydrophobicContact CG2-CG 4.2Å; V20-F42 HydrophobicContact CG2-CZ 4.5Å; M40-F42 HydrophobicContact CB-CE2 4.18Å; M40-F42 WeakPolarHBondContact O-CD2 3.22Å; M40-F42 PolarHBondContact O-N 3.42Å; F42-R56 WeakPolarHBondContact O-CD 3.37Å; F42-R56 PolarHBondContact O-NH1 3.34Å; F42-R58 HydrophobicContact CD1-CG 4Å; F42-R58 HydrophobicContact CE1-CB 3.66Å; F42-R58 HydrophobicContact CE1-CG 3.61Å; F42-R58 HydrophobicContact CZ-CB 3.95Å; F42-R58 HydrophobicContact CZ-CG 4.19Å; F42-F60 HydrophobicContact CE2-CE2 4.37Å; F42-F60 HydrophobicContact CE2-CZ 4.04Å; F42-F60 AromaticContact CZ-CE2 3.74Å; F42-F60 HydrophobicContact CZ-CE2 3.74Å; F42-F60 AromaticContact CZ-CZ 3.71Å; F42-F60 HydrophobicContact CZ-CZ 3.71Å
43M93.2Very high93.3Very high3 Ų358.1 Ų58.12%0.01531%0.309CS..SBendtrans-132.4144.8172.7-58.517480.600110.2T16 A18 E47 S48 D52T16-M43 VanDerWaalsContact C-SD 3.58Å; A18-M43 PolarHBondContact O-N 2.71Å; M43-E47 WeakPolarHBondContact CA-OE2 3.29Å; M43-E47 HydrophobicContact CB-CB 4.18Å; M43-E47 HydrophobicContact CE-CB 4.3Å; M43-E47 WeakPolarHBondContact CE-O 3.47Å; M43-S48 WeakPolarHBondContact CB-OG 3.34Å; M43-D52 VanDerWaalsContact CE-O 3.23Å; M43-D52 WeakPolarHBondContact CE-O 3.49Å
44S93.4Very high93.1Very high46 Ų4657.4 Ų57.432%0.32231%0.309SS..  trans-74.6164165.9750000111.1K46 E47 S48S44-K46 VanDerWaalsContact C-N 3.26Å; S44-K46 PolarHBondContact O-N 2.79Å; S44-E47 PolarHBondContact N-OE2 2.86Å; S44-E47 PolarHBondContact O-N 2.94Å; S44-E47 WeakPolarHBondContact OG-CB 3.3Å; S44-E47 VanDerWaalsContact OG-CG 3.25Å; S44-E47 WeakPolarHBondContact OG-CG 3.25Å; S44-E47 PolarHBondContact OG-N 2.93Å; S44-E47 VanDerWaalsContact OG-N 3.15Å; S44-S48 WeakPolarHBondContact O-CB 3.48Å; S44-S48 PolarHBondContact O-N 2.93Å; S44-S48 PolarHBondContact O-OG 2.61Å
45P92.8Very high93.1Very high68 Ų6858 Ų5844%0.44232%0.315SS..Hα-helixtrans-56.1-40.5174.3-2533.1000112.8S48 H49 F85P45-S48 PolarHBondContact O-N 3Å; P45-H49 PolarHBondContact O-CD2 3.02Å; P45-H49 PolarHBondContact O-N 2.61Å; P45-H49 VanDerWaalsContact O-N 3.16Å; P45-F85 HydrophobicContact CB-CD1 3.87Å; P45-F85 HydrophobicContact CB-CD2 4.29Å; P45-F85 HydrophobicContact CB-CE1 3.95Å; P45-F85 HydrophobicContact CB-CE2 4.34Å; P45-F85 HydrophobicContact CB-CG 4.06Å; P45-F85 HydrophobicContact CB-CZ 4.19Å; P45-F85 HydrophobicContact CG-CD1 4.24Å; P45-F85 HydrophobicContact CG-CD2 4.47Å; P45-F85 HydrophobicContact CG-CE1 3.79Å; P45-F85 HydrophobicContact CG-CE2 4.02Å; P45-F85 HydrophobicContact CG-CZ 3.68Å
46K92.8Very high93Very high142 Ų14259 Ų5962%0.61731%0.313SS*.Hα-helixtrans-66.1-46177.8-173.8-179.5177.2-176.40111.8S44 S48 H49 Q50S44-K46 VanDerWaalsContact C-N 3.26Å; S44-K46 PolarHBondContact O-N 2.79Å; K46-S48 PolarHBondContact O-N 3.46Å; K46-H49 PolarHBondContact O-N 3.18Å; K46-Q50 WeakPolarHBondContact O-CG 3.5Å; K46-Q50 PolarHBondContact O-N 2.94Å; K46-Q50 VanDerWaalsContact O-N 3.09Å
47E93.7Very high93Very high34 Ų3462.6 Ų62.616%0.15933%0.334CS..Hα-helixtrans-59.6-37.9175.5-73169.7169.200111.1M43 S44 Q50 L51 D52 H53 R56M43-E47 WeakPolarHBondContact CA-OE2 3.29Å; M43-E47 HydrophobicContact CB-CB 4.18Å; M43-E47 HydrophobicContact CE-CB 4.3Å; M43-E47 WeakPolarHBondContact CE-O 3.47Å; S44-E47 PolarHBondContact N-OE2 2.86Å; S44-E47 PolarHBondContact O-N 2.94Å; S44-E47 WeakPolarHBondContact OG-CB 3.3Å; S44-E47 VanDerWaalsContact OG-CG 3.25Å; S44-E47 WeakPolarHBondContact OG-CG 3.25Å; S44-E47 PolarHBondContact OG-N 2.93Å; S44-E47 VanDerWaalsContact OG-N 3.15Å; E47-Q50 PolarHBondContact O-N 3.15Å; E47-L51 WeakPolarHBondContact O-CA 3.08Å; E47-L51 PolarHBondContact O-N 3.03Å; E47-D52 HydrophobicContact CG-CB 4.46Å; E47-D52 PolarHBondContact O-N 2.76Å; E47-D52 VanDerWaalsContact O-N 3.1Å; E47-H53 IonicContact OE1-ND1 3.33Å; E47-R56 VanDerWaalsContact CD-NH2 3.33Å; E47-R56 IonicContact OE1-CZ 3.78Å; E47-R56 IonicContact OE1-NH1 3.01Å; E47-R56 IonicContact OE1-NH2 2.73Å; E47-R56 PolarHBondContact OE1-NH2 3.22Å; E47-R56 IonicContact OE2-CZ 3.67Å; E47-R56 IonicContact OE2-NH1 2.83Å; E47-R56 PolarHBondContact OE2-NH1 3.43Å; E47-R56 IonicContact OE2-NH2 3.06Å; E47-R56 PolarHBondContact OE2-NH2 2.86Å
48S92.7Very high93Very high0 Ų065.8 Ų65.80%035%0.346CS..Hα-helixtrans-67.9-35.8179.9-58.20000113.1M43 S44 P45 K46 Q83 N86M43-S48 WeakPolarHBondContact CB-OG 3.34Å; S44-S48 WeakPolarHBondContact O-CB 3.48Å; S44-S48 PolarHBondContact O-N 2.93Å; S44-S48 PolarHBondContact O-OG 2.61Å; P45-S48 PolarHBondContact O-N 3Å; K46-S48 PolarHBondContact O-N 3.46Å; S48-Q83 PolarHBondContact OG-NE2 2.76Å; S48-Q83 PolarHBondContact OG-OE1 2.58Å; S48-N86 WeakPolarHBondContact O-CB 3.34Å; S48-N86 PolarHBondContact O-ND2 2.59Å
49H92Very high93Very high126 Ų12669.2 Ų69.258%0.58336%0.359SS*.Hα-helixtrans-72.4-37.8173.9-74.1-62.5000112.7P45 K46 F85P45-H49 PolarHBondContact O-CD2 3.02Å; P45-H49 PolarHBondContact O-N 2.61Å; P45-H49 VanDerWaalsContact O-N 3.16Å; K46-H49 PolarHBondContact O-N 3.18Å; H49-F85 PolarHBondContact CE1-O 3.26Å; H49-F85 PolarHBondContact ND1-O 2.86Å
50Q91.5Very high92.9Very high126 Ų12666.6 Ų66.659%0.58934%0.337SS*.Hα-helixtrans-88.8-8.9-175.6-65-178.6-29.300113.4K46 E47 D52K46-Q50 WeakPolarHBondContact O-CG 3.5Å; K46-Q50 PolarHBondContact O-N 2.94Å; K46-Q50 VanDerWaalsContact O-N 3.09Å; E47-Q50 PolarHBondContact O-N 3.15Å; Q50-D52 VanDerWaalsContact C-N 3.28Å; Q50-D52 PolarHBondContact O-N 3.44Å
51L88.9Confident92.8Very high63 Ų6366.5 Ų66.533%0.3334%0.342SS..THydrogen-bonded Turntrans5642.3-172.8-59174.7000112.7E47 M54 V89E47-L51 WeakPolarHBondContact O-CA 3.08Å; E47-L51 PolarHBondContact O-N 3.03Å; L51-M54 HydrophobicContact CB-CG 4.22Å; L51-M54 HydrophobicContact CB-SD 3.95Å; L51-M54 VanDerWaalsContact O-CG 3.29Å; L51-M54 WeakPolarHBondContact O-CG 3.48Å; L51-V89 HydrophobicContact CD1-CG2 4Å; L51-V89 HydrophobicContact CD2-CB 4.3Å; L51-V89 HydrophobicContact CD2-CG1 4.03Å; L51-V89 HydrophobicContact CD2-CG2 4.01Å
52D89.9Confident92.7Very high74 Ų7468.5 Ų68.540%0.39634%0.341SS..  trans-92147.6175.8-169.721000110.9M43 E47 Q50 M54M43-D52 VanDerWaalsContact CE-O 3.23Å; M43-D52 WeakPolarHBondContact CE-O 3.49Å; E47-D52 HydrophobicContact CG-CB 4.46Å; E47-D52 PolarHBondContact O-N 2.76Å; E47-D52 VanDerWaalsContact O-N 3.1Å; Q50-D52 VanDerWaalsContact C-N 3.28Å; Q50-D52 PolarHBondContact O-N 3.44Å; D52-M54 VanDerWaalsContact C-N 3.26Å; D52-M54 PolarHBondContact O-N 3.47Å
53H89.5Confident92.5Very high100 Ų10072.6 Ų72.646%0.46338%0.375SS..SBendtrans50.836.9-179.1-58.992.9000115.4E47 N55 R56E47-H53 IonicContact OE1-ND1 3.33Å; H53-N55 PolarHBondContact O-N 3.16Å; H53-R56 PolarHBondContact O-N 3.17Å
54M90.9Very high92.3Very high60 Ų6074.9 Ų74.930%0.29639%0.391SS..THydrogen-bonded Turntrans-51.2-35.6-176.8-61.4165.473.700113.4N14 T16 L51 D52N14-M54 CarbonylContact C-O 3.52Å; N14-M54 PolarHBondContact ND2-O 3.17Å; T16-M54 HydrophobicContact CG2-CB 4Å; T16-M54 HydrophobicContact CG2-CE 3.23Å; T16-M54 HydrophobicContact CG2-CG 3.99Å; T16-M54 HydrophobicContact CG2-SD 4.43Å; T16-M54 PolarHBondContact N-O 3.25Å; T16-M54 VanDerWaalsContact N-O 3.13Å; L51-M54 HydrophobicContact CB-CG 4.22Å; L51-M54 HydrophobicContact CB-SD 3.95Å; L51-M54 VanDerWaalsContact O-CG 3.29Å; L51-M54 WeakPolarHBondContact O-CG 3.48Å; D52-M54 VanDerWaalsContact C-N 3.26Å; D52-M54 PolarHBondContact O-N 3.47Å
55N93.4Very high92.3Very high98 Ų9873.2 Ų73.252%0.52438%0.378SS..THydrogen-bonded Turntrans-10528.8-170.5-57.6-8.5000112.8N14 E15 H53 V57N14-N55 WeakPolarHBondContact O-CA 3.36Å; E15-N55 PolarHBondContact OE2-OD1 2.72Å; H53-N55 PolarHBondContact O-N 3.16Å; N55-V57 PolarHBondContact O-N 2.91Å
56R92.7Very high92.4Very high77 Ų7772.4 Ų72.429%0.29137%0.372SS..  trans-59.2124.9-179.5-174176.3-70.2158.4-6.6110.5N14 F42 E47 H53 R58N14-R56 VanDerWaalsContact CB-O 3.25Å; N14-R56 WeakPolarHBondContact CB-O 3.16Å; N14-R56 PolarHBondContact N-O 2.95Å; F42-R56 WeakPolarHBondContact O-CD 3.37Å; F42-R56 PolarHBondContact O-NH1 3.34Å; E47-R56 VanDerWaalsContact CD-NH2 3.33Å; E47-R56 IonicContact OE1-CZ 3.78Å; E47-R56 IonicContact OE1-NH1 3.01Å; E47-R56 IonicContact OE1-NH2 2.73Å; E47-R56 PolarHBondContact OE1-NH2 3.22Å; E47-R56 IonicContact OE2-CZ 3.67Å; E47-R56 IonicContact OE2-NH1 2.83Å; E47-R56 PolarHBondContact OE2-NH1 3.43Å; E47-R56 IonicContact OE2-NH2 3.06Å; E47-R56 PolarHBondContact OE2-NH2 2.86Å; H53-R56 PolarHBondContact O-N 3.17Å; R56-R58 HydrophobicContact CG-CG 4.43Å
57V95.9Very high92.2Very high75 Ų7569 Ų6946%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-97.3132.8174.3-1790000109.4I12 N55 F95I12-V57 CarbonylContact O-C 3.56Å; I12-V57 WeakPolarHBondContact O-CA 3.19Å; N55-V57 PolarHBondContact O-N 2.91Å; V57-F95 HydrophobicContact CB-CZ 4.4Å; V57-F95 HydrophobicContact CG1-CE2 4.4Å; V57-F95 HydrophobicContact CG1-CZ 3.67Å; V57-F95 HydrophobicContact CG2-CE1 3.84Å; V57-F95 HydrophobicContact CG2-CZ 3.79Å
58R94.8Very high92.1Very high67 Ų6775.8 Ų75.825%0.25340%0.395SS..EExtended strand (participates in β ladder)trans-126.5140.1171.9-62-176.668-170.5-2.1110I12 A41 F42 R56 F60I12-R58 PolarHBondContact N-O 2.91Å; I12-R58 PolarHBondContact O-N 3.05Å; A41-R58 PolarHBondContact O-NH1 2.88Å; F42-R58 HydrophobicContact CD1-CG 4Å; F42-R58 HydrophobicContact CE1-CB 3.66Å; F42-R58 HydrophobicContact CE1-CG 3.61Å; F42-R58 HydrophobicContact CZ-CB 3.95Å; F42-R58 HydrophobicContact CZ-CG 4.19Å; R56-R58 HydrophobicContact CG-CG 4.43Å; R58-F60 HydrophobicContact CB-CE1 4.44Å; R58-F60 HydrophobicContact CB-CE2 3.83Å; R58-F60 HydrophobicContact CB-CZ 3.68Å
59M95.2Very high92.1Very high130 Ų13076.2 Ų76.264%0.6440%0.398SS*.EExtended strand (participates in β ladder)trans-108.6131.6172.8-57.2-170.8-178.700108.8Q11Q11-M59 HydrophobicContact CB-CG 4.34Å; Q11-M59 HydrophobicContact CG-CB 4.43Å; Q11-M59 HydrophobicContact CG-CG 3.9Å; Q11-M59 HydrophobicContact CG-SD 4.29Å
60F94.9Very high92Very high3 Ų370.3 Ų70.31%0.01337%0.371CS..EExtended strand (participates in β ladder)trans-114.7111.7177-55.1-80000107.1S9 I10 I12 L37 M40 F42 R58 C64 L65S9-F60 CarbonylContact C-O 3.54Å; S9-F60 WeakPolarHBondContact CA-O 3.35Å; S9-F60 WeakPolarHBondContact CB-O 3.48Å; I10-F60 HydrophobicContact CB-CB 4.46Å; I10-F60 PolarHBondContact N-O 3.14Å; I10-F60 PolarHBondContact O-N 2.97Å; I12-F60 HydrophobicContact CB-CE2 4.31Å; I12-F60 HydrophobicContact CD1-CD2 4.06Å; I12-F60 HydrophobicContact CD1-CE2 3.6Å; I12-F60 HydrophobicContact CG1-CD2 4.21Å; I12-F60 HydrophobicContact CG1-CE2 3.91Å; L37-F60 HydrophobicContact CD1-CB 4.3Å; L37-F60 HydrophobicContact CD1-CD1 3.76Å; L37-F60 HydrophobicContact CD1-CE1 4.23Å; L37-F60 HydrophobicContact CD1-CG 3.94Å; L37-F60 HydrophobicContact CD2-CD1 4.17Å; L37-F60 HydrophobicContact CD2-CD2 3.66Å; L37-F60 HydrophobicContact CD2-CE1 4.23Å; L37-F60 HydrophobicContact CD2-CE2 3.75Å; L37-F60 HydrophobicContact CD2-CG 3.88Å; L37-F60 HydrophobicContact CD2-CZ 4.03Å; M40-F60 HydrophobicContact CB-CE1 4.24Å; M40-F60 HydrophobicContact CB-CZ 4.15Å; M40-F60 HydrophobicContact CE-CE1 4.2Å; M40-F60 HydrophobicContact CG-CE1 3.75Å; M40-F60 HydrophobicContact CG-CZ 4.07Å; F42-F60 HydrophobicContact CE2-CE2 4.37Å; F42-F60 HydrophobicContact CE2-CZ 4.04Å; F42-F60 AromaticContact CZ-CE2 3.74Å; F42-F60 HydrophobicContact CZ-CE2 3.74Å; F42-F60 AromaticContact CZ-CZ 3.71Å; F42-F60 HydrophobicContact CZ-CZ 3.71Å; R58-F60 HydrophobicContact CB-CE1 4.44Å; R58-F60 HydrophobicContact CB-CE2 3.83Å; R58-F60 HydrophobicContact CB-CZ 3.68Å; F60-C64 HydrophobicContact CB-CB 4.02Å; F60-C64 HydrophobicContact CD1-CB 4.04Å; F60-L65 HydrophobicContact CB-CD2 4.32Å
61S92.5Very high92Very high53 Ų5367.1 Ų67.137%0.37136%0.358SS..  trans-80.2174.3170.561.10000110.3E8 A63 C64E8-S61 CarbonylContact O-C 3.5Å; S61-A63 PolarHBondContact O-N 2.85Å; S61-C64 PolarHBondContact O-N 2.91Å
62K90.8Very high92.1Very high92 Ų9267 Ų6740%0.436%0.356SS..G310 helixtrans-49.7-31.8178.8-169.9174.9-178.5176.30113.4E8 C64 L65 D71E8-K62 HydrophobicContact CG-CB 4.34Å; E8-K62 VanDerWaalsContact O-CA 3.25Å; E8-K62 WeakPolarHBondContact O-CA 3.16Å; E8-K62 WeakPolarHBondContact O-CB 3.41Å; E8-K62 PolarHBondContact O-N 2.88Å; K62-C64 VanDerWaalsContact C-N 3.3Å; K62-C64 PolarHBondContact O-N 2.82Å; K62-L65 PolarHBondContact O-N 3.27Å; K62-D71 VanDerWaalsContact CE-OD1 3.31Å; K62-D71 WeakPolarHBondContact CE-OD1 3.4Å; K62-D71 IonicContact NZ-OD1 3.09Å; K62-D71 PolarHBondContact NZ-OD1 3.04Å
63A90.5Very high92.2Very high87 Ų8767.3 Ų67.372%0.71936%0.357SS*.G310 helixtrans-65.8-26.5178.700000114.3S61S61-A63 PolarHBondContact O-N 2.85Å
64C90Very high92.3Very high51 Ų5163 Ų6335%0.34534%0.336SS..G310 helixtrans-87.6-14.2176.4-62.30000112.9F60 S61 K62F60-C64 HydrophobicContact CB-CB 4.02Å; F60-C64 HydrophobicContact CD1-CB 4.04Å; S61-C64 PolarHBondContact O-N 2.91Å; K62-C64 VanDerWaalsContact C-N 3.3Å; K62-C64 PolarHBondContact O-N 2.82Å
65L93.1Very high92.4Very high11 Ų1161.9 Ų61.96%0.05833%0.331CS..SBendtrans-87.3152.9-179-52.2-177.7000110.1I7 I10 L36 L37 F60 K62 S67 A70I7-L65 HydrophobicContact CG2-CD1 4.35Å; I10-L65 HydrophobicContact CD1-CD1 4.45Å; I10-L65 HydrophobicContact CD1-CD2 3.72Å; I10-L65 HydrophobicContact CG1-CD1 4.44Å; I10-L65 HydrophobicContact CG1-CD2 4.2Å; L36-L65 HydrophobicContact CD1-CB 4.02Å; L36-L65 HydrophobicContact CD1-CD1 4.28Å; L36-L65 HydrophobicContact CG-CD1 4.49Å; L36-L65 HydrophobicContact CG-CD2 4.28Å; L36-L65 WeakPolarHBondContact O-CA 3.46Å; L37-L65 HydrophobicContact CB-CD2 4.25Å; L37-L65 HydrophobicContact CD1-CD2 4.12Å; F60-L65 HydrophobicContact CB-CD2 4.32Å; K62-L65 PolarHBondContact O-N 3.27Å; L65-S67 PolarHBondContact O-N 2.87Å; L65-A70 HydrophobicContact CB-CB 4.01Å; L65-A70 HydrophobicContact CD1-CB 4.4Å
66V93.9Very high92.3Very high52 Ų5262 Ų6232%0.31532%0.324SS..  trans-68.8106173.6-1790000108.6V35 L36 P38 K68 V69 A70V35-V66 WeakPolarHBondContact O-CG2 3.46Å; L36-V66 PolarHBondContact O-N 3.31Å; P38-V66 HydrophobicContact CG-CG2 4.36Å; V66-K68 VanDerWaalsContact C-N 3.29Å; V66-K68 PolarHBondContact O-N 2.66Å; V66-K68 VanDerWaalsContact O-N 3.15Å; V66-V69 HydrophobicContact CB-CB 4.31Å; V66-V69 HydrophobicContact CB-CG2 4.11Å; V66-V69 HydrophobicContact CG1-CB 4.45Å; V66-V69 HydrophobicContact CG1-CG2 3.84Å; V66-V69 PolarHBondContact O-N 3.19Å; V66-A70 PolarHBondContact O-N 2.98Å
67S90.2Very high92.4Very high71 Ų7160.4 Ų60.450%0.49732%0.324SS..Hα-helixtrans-50.3-43.2-173.71620000113.8L65 V69 A70 D71L65-S67 PolarHBondContact O-N 2.87Å; S67-V69 PolarHBondContact O-N 2.9Å; S67-A70 PolarHBondContact O-N 3.4Å; S67-D71 PolarHBondContact O-N 3.37Å; S67-D71 VanDerWaalsContact O-N 3.11Å; S67-D71 PolarHBondContact OG-OD2 3.11Å
68K90.9Very high92.3Very high176 Ų17661 Ų6177%0.76532%0.32SS*.Hα-helixtrans-57.3-32.6178.3-63.3-174.8-179.3-178.30113.8V66 Q72V66-K68 VanDerWaalsContact C-N 3.29Å; V66-K68 PolarHBondContact O-N 2.66Å; V66-K68 VanDerWaalsContact O-N 3.15Å; K68-Q72 PolarHBondContact O-NE2 3.23Å
69V92.4Very high92.4Very high9 Ų960.4 Ų60.46%0.05532%0.323CS..Hα-helixtrans-91.4-42.6-178-174.60000109V24 E34 L36 V66 S67 D71 Q72 W74V24-V69 HydrophobicContact CG2-CG1 3.28Å; E34-V69 HydrophobicContact CB-CG1 4.02Å; E34-V69 HydrophobicContact CB-CG2 4.14Å; L36-V69 HydrophobicContact CB-CG1 4.18Å; L36-V69 HydrophobicContact CD1-CB 4.2Å; L36-V69 HydrophobicContact CD1-CG1 4.02Å; V66-V69 HydrophobicContact CB-CB 4.31Å; V66-V69 HydrophobicContact CB-CG2 4.11Å; V66-V69 HydrophobicContact CG1-CB 4.45Å; V66-V69 HydrophobicContact CG1-CG2 3.84Å; V66-V69 PolarHBondContact O-N 3.19Å; S67-V69 PolarHBondContact O-N 2.9Å; V69-D71 VanDerWaalsContact C-N 3.28Å; V69-D71 PolarHBondContact O-N 2.67Å; V69-Q72 PolarHBondContact O-N 2.9Å; V69-Q72 VanDerWaalsContact O-N 3.08Å; V69-W74 HydrophobicContact CB-CZ2 4.45Å; V69-W74 HydrophobicContact CG1-CH2 4.46Å; V69-W74 HydrophobicContact CG1-CZ2 3.54Å; V69-W74 PolarHBondContact O-NE1 2.84Å
70A90.7Very high92.5Very high2 Ų256.5 Ų56.52%0.01731%0.305CS..Hα-helixtrans-61.9-30.6-178.400000114L36 L65 V66 S67 Q72L36-A70 HydrophobicContact CD1-CB 3.82Å; L65-A70 HydrophobicContact CB-CB 4.01Å; L65-A70 HydrophobicContact CD1-CB 4.4Å; V66-A70 PolarHBondContact O-N 2.98Å; S67-A70 PolarHBondContact O-N 3.4Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 2.7Å
71D90.5Very high92.5Very high58 Ų5857.9 Ų57.931%0.3132%0.315SS..THydrogen-bonded Turntrans-77.4-8.8178.4-68.6-40.1000113.6R6 K62 S67 V69R6-D71 PolarHBondContact NE-O 2.73Å; R6-D71 PolarHBondContact NH1-O 3.22Å; K62-D71 VanDerWaalsContact CE-OD1 3.31Å; K62-D71 WeakPolarHBondContact CE-OD1 3.4Å; K62-D71 IonicContact NZ-OD1 3.09Å; K62-D71 PolarHBondContact NZ-OD1 3.04Å; S67-D71 PolarHBondContact O-N 3.37Å; S67-D71 VanDerWaalsContact O-N 3.11Å; S67-D71 PolarHBondContact OG-OD2 3.11Å; V69-D71 VanDerWaalsContact C-N 3.28Å; V69-D71 PolarHBondContact O-N 2.67Å
72Q91.1Very high92.6Very high62 Ų6258.4 Ų58.429%0.2932%0.315SS..SBendtrans-92.2163.8178-60.7-175.646.100112.6K68 V69 A70 W74K68-Q72 PolarHBondContact O-NE2 3.23Å; V69-Q72 PolarHBondContact O-N 2.9Å; V69-Q72 VanDerWaalsContact O-N 3.08Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 2.7Å; Q72-W74 HydrophobicContact CB-CZ2 3.76Å; Q72-W74 HydrophobicContact CG-CZ2 4.31Å
73L91.5Very high92.8Very high79 Ų7954.5 Ų54.541%0.41430%0.299SS..  trans-90.7131.3174.2-65.1170.7000110.3A4 R6 R26A4-L73 HydrophobicContact CB-CB 4.13Å; R6-L73 HydrophobicContact CB-CD2 4.47Å; R6-L73 HydrophobicContact CG-CD2 3.49Å; R6-L73 VanDerWaalsContact CG-CD2 3.49Å; R6-L73 HydrophobicContact CG-CG 4.27Å; R26-L73 PolarHBondContact NE-O 2.74Å
74W93.2Very high92.9Very high9 Ų953.2 Ų53.23%0.03428%0.283CS..BIsolated β-bridgetrans-130.4145.1-178.8-55.6101.7000111A4 E5 V24 R26 E34 V69 Q72A4-W74 VanDerWaalsContact CA-O 3.29Å; A4-W74 WeakPolarHBondContact CA-O 3.47Å; E5-W74 PolarHBondContact N-O 3.42Å; E5-W74 PolarHBondContact O-N 3.13Å; V24-W74 HydrophobicContact CB-CB 3.93Å; V24-W74 HydrophobicContact CB-CD2 3.66Å; V24-W74 HydrophobicContact CB-CE3 4.04Å; V24-W74 HydrophobicContact CB-CG 3.59Å; V24-W74 HydrophobicContact CG1-CB 4.35Å; V24-W74 HydrophobicContact CG1-CG 4.22Å; V24-W74 HydrophobicContact CG2-CD2 3.37Å; V24-W74 HydrophobicContact CG2-CE3 3.88Å; V24-W74 HydrophobicContact CG2-CG 3.65Å; V24-W74 HydrophobicContact CG2-CH2 4.32Å; V24-W74 HydrophobicContact CG2-CZ2 3.89Å; V24-W74 HydrophobicContact CG2-CZ3 4.31Å; R26-W74 HydrophobicContact CG-CE3 3.82Å; R26-W74 HydrophobicContact CG-CZ3 3.95Å; E34-W74 HydrophobicContact CB-CH2 4.18Å; E34-W74 HydrophobicContact CG-CH2 4.09Å; E34-W74 WeakPolarHBondContact OE2-CH2 3.3Å; V69-W74 HydrophobicContact CB-CZ2 4.45Å; V69-W74 HydrophobicContact CG1-CH2 4.46Å; V69-W74 HydrophobicContact CG1-CZ2 3.54Å; V69-W74 PolarHBondContact O-NE1 2.84Å; Q72-W74 HydrophobicContact CB-CZ2 3.76Å; Q72-W74 HydrophobicContact CG-CZ2 4.31Å
75D92.1Very high93Very high37 Ų3753.8 Ų53.820%0.19828%0.28CS..SBendtrans-118.5-18.9179.759.516.2000112.7M1 A4 G25 R26 A27M1-D75 PolarHBondContact N-O 3.32Å; A4-D75 HydrophobicContact CB-CB 4.14Å; G25-D75 PolarHBondContact O-N 2.86Å; G25-D75 VanDerWaalsContact O-OD1 3.09Å; R26-D75 WeakPolarHBondContact CA-OD1 3.36Å; A27-D75 WeakPolarHBondContact CB-OD2 3.44Å; A27-D75 PolarHBondContact N-OD1 2.93Å; A27-D75 PolarHBondContact N-OD2 3.02Å
76R92.3Very high92.7Very high100 Ų10054.2 Ų54.238%0.37728%0.282SS..EExtended strand (participates in β ladder)trans-116.4138.5175.6-69.9-176.5175.1-172.23.5110V24 G25 Y33V24-R76 WeakPolarHBondContact CA-O 3.42Å; G25-R76 PolarHBondContact N-O 3.25Å; G25-R76 PolarHBondContact O-N 2.98Å; Y33-R76 HydrophobicContact CE1-CB 4.39Å
77V93.9Very high92.4Very high45 Ų4563 Ų6327%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-129125.5176.2-175.80000107.2M1 I7 I22 V24 V79 L98M1-V77 HydrophobicContact CG-CG2 4.35Å; M1-V77 HydrophobicContact SD-CG2 3.88Å; I7-V77 HydrophobicContact CD1-CG2 4.27Å; I22-V77 HydrophobicContact CG2-CG1 3.62Å; V24-V77 HydrophobicContact CG1-CG2 4.29Å; V77-V79 HydrophobicContact CG1-CG2 4.22Å; V77-L98 HydrophobicContact CB-CD1 4.46Å; V77-L98 HydrophobicContact CG1-CD1 4.42Å; V77-L98 HydrophobicContact CG2-CD1 3.77Å
78K94.7Very high92.3Very high88 Ų8864.7 Ų64.738%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-110.5124176.1177.4179.5177.8-171.10107.9Q23 Y33 I80Q23-K78 HydrophobicContact CB-CB 4.31Å; Q23-K78 PolarHBondContact N-O 2.76Å; Q23-K78 PolarHBondContact O-N 3.3Å; Y33-K78 HydrophobicContact CD1-CB 3.71Å; Y33-K78 HydrophobicContact CD1-CD 4.14Å; Y33-K78 HydrophobicContact CD2-CD 4.31Å; Y33-K78 HydrophobicContact CE1-CB 3.52Å; Y33-K78 HydrophobicContact CE1-CD 4.21Å; Y33-K78 HydrophobicContact CE1-CG 4.5Å; Y33-K78 HydrophobicContact CE2-CD 4.37Å; Y33-K78 HydrophobicContact CG-CD 4.18Å; K78-I80 HydrophobicContact CG-CG1 4.25Å
79V96.4Very high92.2Very high53 Ų5358.2 Ų58.232%0.32130%0.297SS..EExtended strand (participates in β ladder)trans-111.5122.4-178.7-173.30000107.9V20 V77 L93 I96V20-V79 HydrophobicContact CG1-CG1 4.02Å; V77-V79 HydrophobicContact CG1-CG2 4.22Å; V79-L93 HydrophobicContact CG1-CD1 3.52Å; V79-I96 HydrophobicContact CG2-CD1 3.67Å
80I96.4Very high92.1Very high49 Ų4961 Ų6125%0.25133%0.327SS..EExtended strand (participates in β ladder)trans-111.5112.7-177.9-55.9170.5000107.4V20 E21 Q23 K78V20-I80 WeakPolarHBondContact CA-O 3.42Å; E21-I80 HydrophobicContact CB-CB 4.25Å; E21-I80 PolarHBondContact N-O 2.9Å; E21-I80 PolarHBondContact O-N 2.97Å; Q23-I80 HydrophobicContact CG-CD1 4.28Å; K78-I80 HydrophobicContact CG-CG1 4.25Å
81C95.9Very high92.3Very high32 Ų3266.5 Ų66.522%0.21635%0.348CS..EExtended strand (participates in β ladder)trans-100.5135.2174.1-59.40000108.5S17 Y91S17-C81 WeakPolarHBondContact OG-CB 3.41Å; C81-Y91 HydrophobicContact CB-CD2 4.04Å; C81-Y91 HydrophobicContact CB-CE2 4.07Å; C81-Y91 WeakPolarHBondContact O-CE2 3.45Å
82T95.1Very high92.5Very high63 Ų6364.7 Ų64.739%0.38734%0.343SS..EExtended strand (participates in β ladder)trans-133.9131.6178.4-51.80000110.2A18 F19A18-T82 WeakPolarHBondContact CB-O 3.21Å; A18-T82 PolarHBondContact N-O 2.83Å; F19-T82 PolarHBondContact N-O 2.73Å; F19-T82 PolarHBondContact O-N 2.83Å
83Q93.3Very high92.7Very high11 Ų1164 Ų645%0.05134%0.341CS..  trans-131.888.8173.1-178.849.3-86.900109.9T16 S48 F85 N86 Y91T16-Q83 PolarHBondContact O-NE2 3.47Å; S48-Q83 PolarHBondContact OG-NE2 2.76Å; S48-Q83 PolarHBondContact OG-OE1 2.58Å; Q83-F85 VanDerWaalsContact OE1-N 3.16Å; Q83-N86 HydrophobicContact CG-CB 4.46Å; Q83-N86 WeakPolarHBondContact CG-O 3.41Å; Q83-Y91 HydrophobicContact CB-CD1 3.63Å; Q83-Y91 HydrophobicContact CB-CD2 4Å; Q83-Y91 HydrophobicContact CB-CE1 4.11Å; Q83-Y91 HydrophobicContact CB-CE2 4.44Å; Q83-Y91 HydrophobicContact CB-CG 3.57Å; Q83-Y91 HydrophobicContact CG-CD1 4.39Å; Q83-Y91 HydrophobicContact CG-CG 4.45Å
84P93.1Very high93Very high60 Ų6063.8 Ų63.839%0.3935%0.346SS..  trans-84-20.8-175.832.5-30.9000113.1F19F19-P84 HydrophobicContact CD2-CG 4.46Å; F19-P84 HydrophobicContact CE2-CG 4.16Å
85F91.8Very high93.1Very high63 Ų6367.3 Ų67.328%0.27636%0.362SS..SBendtrans-87-24.9-170.1-49.5-62.5000112.7A18 F19 P45 H49 Q83A18-F85 HydrophobicContact CB-CD2 3.76Å; A18-F85 HydrophobicContact CB-CE2 3.74Å; F19-F85 AromaticContact CE2-CE2 3.64Å; F19-F85 HydrophobicContact CE2-CE2 3.64Å; F19-F85 AromaticContact CE2-CZ 3.78Å; F19-F85 HydrophobicContact CE2-CZ 3.78Å; F19-F85 HydrophobicContact CZ-CE2 4.15Å; F19-F85 HydrophobicContact CZ-CZ 4.12Å; P45-F85 HydrophobicContact CB-CD1 3.87Å; P45-F85 HydrophobicContact CB-CD2 4.29Å; P45-F85 HydrophobicContact CB-CE1 3.95Å; P45-F85 HydrophobicContact CB-CE2 4.34Å; P45-F85 HydrophobicContact CB-CG 4.06Å; P45-F85 HydrophobicContact CB-CZ 4.19Å; P45-F85 HydrophobicContact CG-CD1 4.24Å; P45-F85 HydrophobicContact CG-CD2 4.47Å; P45-F85 HydrophobicContact CG-CE1 3.79Å; P45-F85 HydrophobicContact CG-CE2 4.02Å; P45-F85 HydrophobicContact CG-CZ 3.68Å; H49-F85 PolarHBondContact CE1-O 3.26Å; H49-F85 PolarHBondContact ND1-O 2.86Å; Q83-F85 VanDerWaalsContact OE1-N 3.16Å
86N87.1Confident93.3Very high20 Ų2068.8 Ų68.811%0.10737%0.369CS..  trans-13798.7179.7-167.2-11.9000110.7S48 Q83 S88S48-N86 WeakPolarHBondContact O-CB 3.34Å; S48-N86 PolarHBondContact O-ND2 2.59Å; Q83-N86 HydrophobicContact CG-CB 4.46Å; Q83-N86 WeakPolarHBondContact CG-O 3.41Å; N86-S88 PolarHBondContact OD1-N 2.95Å; N86-S88 PolarHBondContact OD1-OG 3.21Å
87R88.4Confident93.4Very high235 Ų23571.2 Ų71.289%0.88738%0.378SS*.SBendtrans-84.2-9-179-62.4-175.2-176.9-168.50.3113.6
88S88.3Confident93.4Very high108 Ų10871.6 Ų71.676%0.75538%0.379SS*.SBendtrans-87.8-13.7-176.660.50000113.5N86N86-S88 PolarHBondContact OD1-N 2.95Å; N86-S88 PolarHBondContact OD1-OG 3.21Å
89V88Confident93.3Very high39 Ų3971 Ų7124%0.23638%0.377CS..SBendtrans-108.3136.6-175.2-178.10000110.1T16 L51T16-V89 HydrophobicContact CG2-CG1 4.2Å; L51-V89 HydrophobicContact CD1-CG2 4Å; L51-V89 HydrophobicContact CD2-CB 4.3Å; L51-V89 HydrophobicContact CD2-CG1 4.03Å; L51-V89 HydrophobicContact CD2-CG2 4.01Å
90G91.3Very high92.9Very high67 Ų6771 Ų7169%0.69138%0.379SS*.  trans-65.6135.1172.300000110.4T16T16-G90 PolarHBondContact OG1-O 3.37Å
91Y94.3Very high92.3Very high119 Ų11970.8 Ų70.847%0.46738%0.381SS..  trans-130.2154.4-17868-88.5000112.5E15 T16 C81 Q83E15-Y91 WeakPolarHBondContact O-CA 3.45Å; T16-Y91 WeakPolarHBondContact OG1-CA 3.46Å; T16-Y91 WeakPolarHBondContact OG1-CB 3.29Å; C81-Y91 HydrophobicContact CB-CD2 4.04Å; C81-Y91 HydrophobicContact CB-CE2 4.07Å; C81-Y91 WeakPolarHBondContact O-CE2 3.45Å; Q83-Y91 HydrophobicContact CB-CD1 3.63Å; Q83-Y91 HydrophobicContact CB-CD2 4Å; Q83-Y91 HydrophobicContact CB-CE1 4.11Å; Q83-Y91 HydrophobicContact CB-CE2 4.44Å; Q83-Y91 HydrophobicContact CB-CG 3.57Å; Q83-Y91 HydrophobicContact CG-CD1 4.39Å; Q83-Y91 HydrophobicContact CG-CG 4.45Å
92G94.6Very high91.3Very high19 Ų1978.1 Ų78.120%0.19641%0.412CS..EExtended strand (participates in β ladder)trans175.9-143179.500000111.3N14 E15 S17N14-G92 PolarHBondContact OD1-O 2.89Å; E15-G92 CarbonylContact C-O 3.54Å; E15-G92 PolarHBondContact N-O 3.32Å; E15-G92 VanDerWaalsContact N-O 3.13Å; E15-G92 CarbonylContact O-C 3.58Å; E15-G92 PolarHBondContact O-N 3.24Å; S17-G92 WeakPolarHBondContact OG-CA 3.42Å; S17-G92 PolarHBondContact OG-N 3.36Å; S17-G92 PolarHBondContact OG-O 3.06Å
93L96.1Very high89.6Confident47 Ų4782.3 Ų82.325%0.24643%0.428CS..EExtended strand (participates in β ladder)trans-128.4141.5177.9-62.2179.1000109.4I12 G13 V20 V79 I96I12-L93 HydrophobicContact CG2-CD1 4.13Å; I12-L93 HydrophobicContact CG2-CD2 3.53Å; I12-L93 HydrophobicContact CG2-CG 4.43Å; G13-L93 CarbonylContact O-C 3.59Å; G13-L93 WeakPolarHBondContact O-CA 3.35Å; V20-L93 HydrophobicContact CG1-CD1 4.34Å; V20-L93 HydrophobicContact CG1-CD2 4.22Å; V20-L93 HydrophobicContact CG2-CD2 3.76Å; V79-L93 HydrophobicContact CG1-CD1 3.52Å; L93-I96 HydrophobicContact CD1-CB 4.48Å
94S96.1Very high87.5Confident76 Ų7690.9 Ų90.953%0.53147%0.468SS..EExtended strand (participates in β ladder)trans-72.6-45.2169.5-179.40000110.1G13G13-S94 PolarHBondContact O-N 3.08Å
95F96.3Very high84.9Confident83 Ų8392.9 Ų92.936%0.36448%0.479SS..EExtended strand (participates in β ladder)trans-156.5158.6174.166.6-92000112.2Q11 G13 V57Q11-F95 HydrophobicContact CB-CE2 4.25Å; G13-F95 PolarHBondContact N-O 3.39Å; G13-F95 PolarHBondContact O-N 2.88Å; V57-F95 HydrophobicContact CB-CZ 4.4Å; V57-F95 HydrophobicContact CG1-CE2 4.4Å; V57-F95 HydrophobicContact CG1-CZ 3.67Å; V57-F95 HydrophobicContact CG2-CE1 3.84Å; V57-F95 HydrophobicContact CG2-CZ 3.79Å
96I96.1Very high82.4Confident67 Ų6796.8 Ų96.834%0.34451%0.508SS..EExtended strand (participates in β ladder)trans-133.7130.7165.9-177.1171.2000108.7I10 Q11 I22 V79 L93 L98I10-I96 HydrophobicContact CG2-CD1 4.43Å; I10-I96 HydrophobicContact CG2-CG1 4.26Å; Q11-I96 CarbonylContact O-C 3.52Å; Q11-I96 WeakPolarHBondContact O-CA 3.4Å; I22-I96 HydrophobicContact CD1-CD1 3.74Å; I22-I96 HydrophobicContact CG1-CD1 4.48Å; V79-I96 HydrophobicContact CG2-CD1 3.67Å; L93-I96 HydrophobicContact CD1-CB 4.48Å; I96-L98 HydrophobicContact CD1-CD2 4.32Å; I96-L98 HydrophobicContact CG1-CD2 4.39Å
97R95.1Very high80.3Confident152 Ų152103.8 Ų103.857%0.57454%0.54SS*.EExtended strand (participates in β ladder)trans-125.9119.7177.6-171.2177.3-176173.91.4109.5I10 Q11I10-R97 CarbonylContact C-O 3.51Å; I10-R97 WeakPolarHBondContact CA-O 3.21Å; Q11-R97 HydrophobicContact CB-CB 4.21Å; Q11-R97 PolarHBondContact N-O 3.09Å; Q11-R97 PolarHBondContact O-N 3.3Å
98L93.4Very high78Confident53 Ų53101 Ų10128%0.27754%0.535SS..EExtended strand (participates in β ladder)trans-96.2130.6173.5-53.7173.3000107.8M1 I7 I10 V77 I96M1-L98 HydrophobicContact CE-CD1 4.22Å; M1-L98 HydrophobicContact SD-CD1 4.22Å; I7-L98 HydrophobicContact CD1-CD1 4.28Å; I7-L98 HydrophobicContact CD1-CD2 4.45Å; I7-L98 HydrophobicContact CG2-CD2 4.31Å; I10-L98 HydrophobicContact CB-CD2 4.38Å; I10-L98 HydrophobicContact CD1-CD2 4.13Å; I10-L98 HydrophobicContact CG1-CD2 3.84Å; I10-L98 HydrophobicContact CG2-CD2 3.9Å; V77-L98 HydrophobicContact CB-CD1 4.46Å; V77-L98 HydrophobicContact CG1-CD1 4.42Å; V77-L98 HydrophobicContact CG2-CD1 3.77Å; I96-L98 HydrophobicContact CD1-CD2 4.32Å; I96-L98 HydrophobicContact CG1-CD2 4.39Å
99Q92.2Very high75.5Confident75 Ų75105.5 Ų105.535%0.3554%0.544SS..EExtended strand (participates in β ladder)trans-107.4119.3172-62.2-174.9-25.600108.3E8 S9E8-Q99 PolarHBondContact N-O 2.83Å; S9-Q99 PolarHBondContact N-O 3.26Å; S9-Q99 PolarHBondContact O-N 2.87Å; S9-Q99 WeakPolarHBondContact OG-CB 3.33Å; S9-Q99 WeakPolarHBondContact OG-CG 3.4Å; S9-Q99 PolarHBondContact OG-OE1 2.7Å
100S87.3Confident73.3Confident52 Ų52109.6 Ų109.636%0.36456%0.563SS.*  trans-79.3149.8166.359.40000109.5R6 E102R6-S100 VanDerWaalsContact O-CA 3.27Å; R6-S100 WeakPolarHBondContact O-CA 3.35Å; R6-S100 WeakPolarHBondContact O-CB 3.5Å; S100-E102 PolarHBondContact O-N 3.4Å
101P85.3Confident71Confident46 Ų46109.9 Ų109.930%0.29956%0.559SS.*  trans-57.2133.5167.426.3-31.6000108R6 E8 E103R6-P101 HydrophobicContact CB-CG 4.02Å; R6-P101 VanDerWaalsContact O-CD 3.24Å; R6-P101 WeakPolarHBondContact O-CD 3.41Å; E8-P101 VanDerWaalsContact OE2-CA 3.29Å; E8-P101 WeakPolarHBondContact OE2-CA 3.41Å; E8-P101 WeakPolarHBondContact OE2-CB 3.45Å; P101-E103 PolarHBondContact O-N 3.23Å
102E73.4Confident68.2Low185 Ų185110.4 Ų110.486%0.86458%0.577SS**  trans-62.3104.6170.7-67.9-178.217700106.2S100 E104S100-E102 PolarHBondContact O-N 3.4Å; E102-E104 PolarHBondContact O-N 3.19Å
103E60Low66Low152 Ų152112 Ų11271%0.7159%0.594SS**  trans-57.2115.4164.5-71.5-175.8169.300104.9P101 T105P101-E103 PolarHBondContact O-N 3.23Å; E103-T105 PolarHBondContact O-N 2.99Å; E103-T105 PolarHBondContact O-OG1 3.06Å
104E49Very low63.6Low191 Ų191112.7 Ų112.789%0.89360%0.603SS**  trans-56.677163.8-70.4-175.5171.600107E102 T106E102-E104 PolarHBondContact O-N 3.19Å; E104-T106 PolarHBondContact O-N 3.46Å
105T39.9Very low61.9Low102 Ų102115.8 Ų115.863%0.62660%0.604SS**  trans-59.3114.4158.1-54.20000102E103 E107E103-T105 PolarHBondContact O-N 2.99Å; E103-T105 PolarHBondContact O-OG1 3.06Å; T105-E107 HydrophobicContact CG2-CG 4.27Å; T105-E107 PolarHBondContact O-N 2.78Å
106T38.7Very low60.2Low145 Ų145114.2 Ų114.289%0.8961%0.606SS**  trans-49.767.8164.116.20000110.2E104 K108E104-T106 PolarHBondContact O-N 3.46Å; T106-K108 VanDerWaalsContact C-N 3.32Å; T106-K108 PolarHBondContact O-N 3.07Å
107E43.6Very low58.3Low166 Ų166117.3 Ų117.378%0.77662%0.619SS**  trans-8290.1163.2-79.6-164.4157.600105.5T105T105-E107 HydrophobicContact CG2-CG 4.27Å; T105-E107 PolarHBondContact O-N 2.78Å
108K38.2Very low56Low178 Ų178117.9 Ų117.977%0.77463%0.626SS**  trans45.6115.3160.2-68.9172.9177.91740114.7T106 L110T106-K108 VanDerWaalsContact C-N 3.32Å; T106-K108 PolarHBondContact O-N 3.07Å; K108-L110 PolarHBondContact O-N 2.96Å
109Q35.8Very low54.9Low202 Ų202118.3 Ų118.394%0.94464%0.643SS**  trans-42.593.9148.8-71.9173.7-29.100109.3A111Q109-A111 PolarHBondContact O-N 3.13Å
110L42.8Very low53.9Low124 Ų124125.1 Ų125.165%0.64967%0.671SS**  trans-72.7122.4165.3-95.3100.4000105.2K108K108-L110 PolarHBondContact O-N 2.96Å
111A42.1Very low52.2Low74 Ų74129.4 Ų129.461%0.61268%0.684SS**  trans-44.7150.5179.700000112.2Q109 G113Q109-A111 PolarHBondContact O-N 3.13Å; A111-G113 PolarHBondContact O-N 3.36Å
112P35.7Very low50.9Low130 Ų130131.5 Ų131.584%0.84469%0.692SS**THydrogen-bonded Turntrans-59.8105-179.226.1-33.2000109.4
113G50Low50.2Low53 Ų53127.2 Ų127.255%0.54668%0.675SS.*THydrogen-bonded Turntrans147.1-0.7-179.200000117.2A111A111-G113 PolarHBondContact O-N 3.36Å
114S45.1Very low50Low61 Ų61126.4 Ų126.443%0.42767%0.671SS.*  trans-81.4125.7-177.462.50000113.5
115Y61.1Low50.1Low141 Ų141121 Ų12155%0.55366%0.659SS**  trans-72.5134.5172.3-28.5-88.5000110.5L122 L123Y115-L122 HydrophobicContact CD1-CD2 3.81Å; Y115-L122 HydrophobicContact CD2-CD2 3.85Å; Y115-L122 HydrophobicContact CG-CD2 3.41Å; Y115-L122 VanDerWaalsContact CG-CD2 3.41Å; Y115-L122 HydrophobicContact CG-CG 4.1Å; Y115-L123 CarbonylContact C-O 3.59Å; Y115-L123 WeakPolarHBondContact CA-O 3.41Å
116A59.9Low50.8Low49 Ų49122.7 Ų122.741%0.40566%0.664SS.*EExtended strand (participates in β ladder)trans-88.1108.7169.700000109F118 L123A116-F118 PolarHBondContact O-N 3.49Å; A116-L123 HydrophobicContact CB-CB 4.39Å; A116-L123 PolarHBondContact N-O 3.31Å; A116-L123 WeakPolarHBondContact O-CA 3.45Å; A116-L123 VanDerWaalsContact O-CB 3.28Å; A116-L123 WeakPolarHBondContact O-CB 3.35Å; A116-L123 PolarHBondContact O-N 3.34Å
117Q56.6Low51.1Low132 Ų132122.6 Ų122.662%0.61766%0.658SS**EExtended strand (participates in β ladder)trans-85.4114.9-179.9-175.2168.7-26.400110.8G119 F121 L122Q117-G119 VanDerWaalsContact CG-O 3.26Å; Q117-G119 WeakPolarHBondContact CG-O 3.25Å; Q117-G119 PolarHBondContact NE2-O 2.81Å; Q117-F121 CarbonylContact C-O 3.53Å; Q117-F121 VanDerWaalsContact CA-O 3.28Å; Q117-F121 WeakPolarHBondContact CA-O 3.49Å; Q117-L122 HydrophobicContact CB-CD1 4.01Å; Q117-L122 HydrophobicContact CG-CD1 3.92Å
118F47Very low51.4Low165 Ų165120 Ų12072%0.72465%0.649SS**EExtended strand (participates in β ladder)trans-105.4101.3168.1-92.6-86.6000109.2A116 K120 F121A116-F118 PolarHBondContact O-N 3.49Å; F118-K120 PolarHBondContact O-N 2.91Å; F118-F121 PolarHBondContact N-O 2.85Å; F118-F121 WeakPolarHBondContact O-CB 3.32Å; F118-F121 PolarHBondContact O-N 3.26Å
119G70.4Confident51.9Low62 Ų62116.6 Ų116.664%0.63966%0.655SS**THydrogen-bonded Turntrans63.1-120.1-175.400000111.8Q117 F121Q117-G119 VanDerWaalsContact CG-O 3.26Å; Q117-G119 WeakPolarHBondContact CG-O 3.25Å; Q117-G119 PolarHBondContact NE2-O 2.81Å; G119-F121 VanDerWaalsContact C-N 3.33Å
120K71.1Confident52.4Low217 Ų217114.1 Ų114.194%0.94365%0.648SS**THydrogen-bonded Turntrans-88.60.8174.8-67.7-178.6179.2178.10113.3F118F118-K120 PolarHBondContact O-N 2.91Å
121F50.6Low52.8Low142 Ų142115.2 Ų115.262%0.62365%0.648SS**EExtended strand (participates in β ladder)trans-100.8129.5-175.2-149.5-94.5000109.9Q117 F118 G119 L123Q117-F121 CarbonylContact C-O 3.53Å; Q117-F121 VanDerWaalsContact CA-O 3.28Å; Q117-F121 WeakPolarHBondContact CA-O 3.49Å; F118-F121 PolarHBondContact N-O 2.85Å; F118-F121 WeakPolarHBondContact O-CB 3.32Å; F118-F121 PolarHBondContact O-N 3.26Å; G119-F121 VanDerWaalsContact C-N 3.33Å; F121-L123 HydrophobicContact CD1-CD1 4.04Å; F121-L123 HydrophobicContact CE1-CD1 3.93Å
122L58.6Low53.2Low91 Ų91120.8 Ų120.848%0.47666%0.658SS.*EExtended strand (participates in β ladder)trans-97.8113.5172.9-121.979000108.1Y115 Q117Y115-L122 HydrophobicContact CD1-CD2 3.81Å; Y115-L122 HydrophobicContact CD2-CD2 3.85Å; Y115-L122 HydrophobicContact CG-CD2 3.41Å; Y115-L122 VanDerWaalsContact CG-CD2 3.41Å; Y115-L122 HydrophobicContact CG-CG 4.1Å; Q117-L122 HydrophobicContact CB-CD1 4.01Å; Q117-L122 HydrophobicContact CG-CD1 3.92Å
123L57.5Low53.6Low95 Ų95120.5 Ų120.550%0.49766%0.659SS.*EExtended strand (participates in β ladder)trans-94.8111.9175.6-148.177.1000109Y115 A116 F121Y115-L123 CarbonylContact C-O 3.59Å; Y115-L123 WeakPolarHBondContact CA-O 3.41Å; A116-L123 HydrophobicContact CB-CB 4.39Å; A116-L123 PolarHBondContact N-O 3.31Å; A116-L123 WeakPolarHBondContact O-CA 3.45Å; A116-L123 VanDerWaalsContact O-CB 3.28Å; A116-L123 WeakPolarHBondContact O-CB 3.35Å; A116-L123 PolarHBondContact O-N 3.34Å; F121-L123 HydrophobicContact CD1-CD1 4.04Å; F121-L123 HydrophobicContact CE1-CD1 3.93Å
124Q55.7Low53.6Low134 Ų134120.6 Ų120.663%0.62665%0.649SS**  trans-80.5118.3171.1-167162.110.300108.1D126Q124-D126 PolarHBondContact O-N 2.98Å; Q124-D126 VanDerWaalsContact O-N 3.09Å
125A52.3Low54.2Low78 Ų78123.6 Ų123.665%0.64566%0.66SS**  trans-74.697.7173.400000108.4N127A125-N127 PolarHBondContact O-N 2.83Å
126D54.2Low54.3Low137 Ų137121.9 Ų121.973%0.73367%0.669SS**  trans-67.3105173.8-79.7-26.4000109.9Q124 D128Q124-D126 PolarHBondContact O-N 2.98Å; Q124-D126 VanDerWaalsContact O-N 3.09Å; D126-D128 VanDerWaalsContact C-N 3.26Å; D126-D128 PolarHBondContact O-N 2.91Å
127N44.7Very low54.8Low144 Ų144124.4 Ų124.477%0.7768%0.679SS**  trans-69.980.2166.3-94.1-31.6000109.7A125A125-N127 PolarHBondContact O-N 2.83Å
128D50.3Low55.5Low110 Ų110121.6 Ų121.659%0.58867%0.668SS**  trans-116.967.5168-108.2-7.3000109.6D126 N130 K131D126-D128 VanDerWaalsContact C-N 3.26Å; D126-D128 PolarHBondContact O-N 2.91Å; D128-N130 PolarHBondContact O-N 2.8Å; D128-K131 IonicContact OD2-NZ 3.94Å
129A49.3Very low56.6Low107 Ų107122.2 Ų122.288%0.88467%0.666SS**  trans-72.821.9177.300000114.1
130N46.2Very low56.7Low151 Ų151124.1 Ų124.181%0.80766%0.657SS**  trans-144.550.7-179.3-163.519.5000113.9D128D128-N130 PolarHBondContact O-N 2.8Å
131K50.9Low56.7Low147 Ų147117.9 Ų117.964%0.63963%0.631SS**  trans-137.7116.7163.2-76-178.9-175.2150.40110.5D128D128-K131 IonicContact OD2-NZ 3.94Å
132K50.2Low57.8Low191 Ų191115.8 Ų115.883%0.8362%0.623SS**  trans-48.1139.1172-72.5171.3176.2173.30110.1T134K132-T134 PolarHBondContact O-N 2.76Å
133S44.2Very low58.7Low123 Ų123117.3 Ų117.386%0.8662%0.622SS**  trans-26.398.9176.560.20000113.9
134T49.6Very low59.9Low55 Ų55114.9 Ų114.934%0.33761%0.607SS.*  trans-97.4131.6163.359.10000107.3K132K132-T134 PolarHBondContact O-N 2.76Å
135N57.8Low60.9Low125 Ų125113.8 Ų113.867%0.66860%0.604SS**  trans-55.9152.3178.8-76.7-40.9000109.8V137 D138 R139N135-V137 PolarHBondContact O-N 3.45Å; N135-D138 PolarHBondContact O-N 3.38Å; N135-R139 PolarHBondContact O-N 3.05Å
136S63.1Low62.1Low105 Ų105114.6 Ų114.673%0.73461%0.605SS**Hα-helixtrans-47.2-29.6178177.40000113.5F140S136-F140 PolarHBondContact O-N 2.91Å
137V71.1Confident63.1Low101 Ų101113.1 Ų113.161%0.61259%0.593SS**Hα-helixtrans-70.9-44.7178.7-169.70000111.8N135 R139 F140 E141N135-V137 PolarHBondContact O-N 3.45Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.03Å; V137-F140 WeakPolarHBondContact O-CB 3.3Å; V137-F140 PolarHBondContact O-N 3.17Å; V137-E141 PolarHBondContact O-N 2.79Å
138D71.5Confident64.5Low73 Ų73115.4 Ų115.439%0.3960%0.596SS.*Hα-helixtrans-64.5-36.4178.2-86.7-27.5000112.1N135 F140 E141 Q142N135-D138 PolarHBondContact O-N 3.38Å; D138-F140 VanDerWaalsContact C-N 3.32Å; D138-E141 PolarHBondContact O-N 3.1Å; D138-Q142 WeakPolarHBondContact O-CB 3.11Å; D138-Q142 WeakPolarHBondContact O-CG 3.17Å; D138-Q142 PolarHBondContact O-N 2.97Å
139R69.5Low65.4Low178 Ų178113 Ų11367%0.67258%0.583SS**Hα-helixtrans-65.8-39.7176.5-160.6-178.6-139.1131.61111N135 V137 W143N135-R139 PolarHBondContact O-N 3.05Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.03Å; R139-W143 WeakPolarHBondContact O-CB 3.39Å; R139-W143 PolarHBondContact O-N 2.97Å
140F72.4Confident66.5Low103 Ų103110.3 Ų110.345%0.45256%0.558SS.*Hα-helixtrans-67.3-40.4175-176.6-103.2000111.7S136 V137 D138 W143 R144 V154S136-F140 PolarHBondContact O-N 2.91Å; V137-F140 WeakPolarHBondContact O-CB 3.3Å; V137-F140 PolarHBondContact O-N 3.17Å; D138-F140 VanDerWaalsContact C-N 3.32Å; F140-W143 HydrophobicContact CD2-CE3 4.27Å; F140-W143 HydrophobicContact CE2-CE3 4.04Å; F140-W143 HydrophobicContact CE2-CZ3 4.07Å; F140-W143 PolarHBondContact O-N 2.79Å; F140-R144 VanDerWaalsContact O-CB 3.27Å; F140-R144 WeakPolarHBondContact O-CB 3.47Å; F140-R144 PolarHBondContact O-N 3.44Å; F140-V154 HydrophobicContact CZ-CG1 4.06Å
141E71.8Confident67.7Low85 Ų85107 Ų10740%0.39754%0.543SS..Hα-helixtrans-64.7-43.7174.3-71-148.1143.800112.5V137 D138 W143 R144 I145V137-E141 PolarHBondContact O-N 2.79Å; D138-E141 PolarHBondContact O-N 3.1Å; E141-W143 VanDerWaalsContact C-N 3.33Å; E141-W143 PolarHBondContact O-N 3.24Å; E141-R144 PolarHBondContact O-N 2.7Å; E141-I145 WeakPolarHBondContact O-CB 3.38Å; E141-I145 WeakPolarHBondContact O-CD1 3.46Å; E141-I145 WeakPolarHBondContact O-CG1 3.44Å; E141-I145 PolarHBondContact O-N 3.42Å
142Q74.1Confident68.7Low99 Ų99102.9 Ų102.946%0.46354%0.536SS..Hα-helixtrans-60.6-42.7174.5-76.7176.130.500111.8D138 I145 S146D138-Q142 WeakPolarHBondContact O-CB 3.11Å; D138-Q142 WeakPolarHBondContact O-CG 3.17Å; D138-Q142 PolarHBondContact O-N 2.97Å; Q142-I145 PolarHBondContact O-N 3.06Å; Q142-S146 WeakPolarHBondContact O-CB 3Å; Q142-S146 PolarHBondContact O-N 3.12Å
143W77.2Confident69.6Low122 Ų12297.4 Ų97.446%0.46252%0.516SS..Hα-helixtrans-62.1-45.7174.9177.183.8000111.8R139 F140 E141 I145 S146 H147 L149R139-W143 WeakPolarHBondContact O-CB 3.39Å; R139-W143 PolarHBondContact O-N 2.97Å; F140-W143 HydrophobicContact CD2-CE3 4.27Å; F140-W143 HydrophobicContact CE2-CE3 4.04Å; F140-W143 HydrophobicContact CE2-CZ3 4.07Å; F140-W143 PolarHBondContact O-N 2.79Å; E141-W143 VanDerWaalsContact C-N 3.33Å; E141-W143 PolarHBondContact O-N 3.24Å; W143-I145 PolarHBondContact O-N 2.83Å; W143-S146 PolarHBondContact O-N 3.01Å; W143-H147 AromaticContact CD1-CE1 3.48Å; W143-H147 VanDerWaalsContact CD1-CE1 3.48Å; W143-H147 AromaticContact CD1-ND1 3.6Å; W143-H147 AromaticContact CE2-ND1 3.9Å; W143-H147 AromaticContact NE1-CE1 3.25Å; W143-H147 PolarHBondContact NE1-CE1 3.23Å; W143-H147 VanDerWaalsContact NE1-CE1 3.25Å; W143-H147 AromaticContact NE1-ND1 3.49Å; W143-H147 PolarHBondContact NE1-ND1 3Å; W143-H147 AromaticContact NE1-NE2 3.74Å; W143-H147 PolarHBondContact O-N 3.49Å; W143-H147 PolarHBondContact O-ND1 3.13Å; W143-L149 HydrophobicContact CH2-CD1 3.83Å; W143-L149 HydrophobicContact CZ3-CD1 3.95Å
144R83Confident70.6Confident45 Ų4593 Ų9317%0.1748%0.484CS..Hα-helixtrans-60.9-45178.4-174.2179.56981.4-6111.7F140 E141 H147 K148 L149 V154F140-R144 VanDerWaalsContact O-CB 3.27Å; F140-R144 WeakPolarHBondContact O-CB 3.47Å; F140-R144 PolarHBondContact O-N 3.44Å; E141-R144 PolarHBondContact O-N 2.7Å; R144-H147 PolarHBondContact O-N 3.09Å; R144-K148 PolarHBondContact O-N 3.29Å; R144-L149 HydrophobicContact CG-CB 3.95Å; R144-L149 VanDerWaalsContact CG-O 3.22Å; R144-L149 WeakPolarHBondContact CG-O 3.27Å; R144-L149 PolarHBondContact NH1-O 3.42Å; R144-L149 VanDerWaalsContact NH1-O 3.08Å; R144-L149 PolarHBondContact O-N 3.02Å; R144-V154 HydrophobicContact CG-CG2 4.08Å
145I75.7Confident71.4Confident111 Ų11196.2 Ų96.257%0.56950%0.495SS*.Hα-helixtrans-66.3-44.3176.8-66.6164.3000110.5E141 Q142 W143 H147 K148E141-I145 WeakPolarHBondContact O-CB 3.38Å; E141-I145 WeakPolarHBondContact O-CD1 3.46Å; E141-I145 WeakPolarHBondContact O-CG1 3.44Å; E141-I145 PolarHBondContact O-N 3.42Å; Q142-I145 PolarHBondContact O-N 3.06Å; W143-I145 PolarHBondContact O-N 2.83Å; I145-H147 VanDerWaalsContact C-N 3.26Å; I145-H147 PolarHBondContact O-N 2.89Å; I145-K148 PolarHBondContact O-N 3.26Å; I145-K148 VanDerWaalsContact O-N 3.12Å
146S76.8Confident71.8Confident94 Ų9497.1 Ų97.166%0.65749%0.493SS*.Hα-helixtrans-61.8-32.3178.9-175.60000113Q142 W143Q142-S146 WeakPolarHBondContact O-CB 3Å; Q142-S146 PolarHBondContact O-N 3.12Å; W143-S146 PolarHBondContact O-N 3.01Å
147H75.4Confident71.8Confident106 Ų10694.9 Ų94.949%0.49148%0.481SS..THydrogen-bonded Turntrans-93.610179.2-70.771.4000113.2W143 R144 I145 L149W143-H147 AromaticContact CD1-CE1 3.48Å; W143-H147 VanDerWaalsContact CD1-CE1 3.48Å; W143-H147 AromaticContact CD1-ND1 3.6Å; W143-H147 AromaticContact CE2-ND1 3.9Å; W143-H147 AromaticContact NE1-CE1 3.25Å; W143-H147 PolarHBondContact NE1-CE1 3.23Å; W143-H147 VanDerWaalsContact NE1-CE1 3.25Å; W143-H147 AromaticContact NE1-ND1 3.49Å; W143-H147 PolarHBondContact NE1-ND1 3Å; W143-H147 AromaticContact NE1-NE2 3.74Å; W143-H147 PolarHBondContact O-N 3.49Å; W143-H147 PolarHBondContact O-ND1 3.13Å; R144-H147 PolarHBondContact O-N 3.09Å; I145-H147 VanDerWaalsContact C-N 3.26Å; I145-H147 PolarHBondContact O-N 2.89Å; H147-L149 HydrophobicContact CB-CD1 3.9Å; H147-L149 HydrophobicContact CB-CG 4.21Å; H147-L149 PolarHBondContact O-N 3.12Å
148K75.4Confident71.4Confident193 Ų19394.1 Ų94.184%0.83948%0.477SS*.THydrogen-bonded Turntrans52.834.2-178.3-62.2-174.5176.3-170.40113.7R144 I145R144-K148 PolarHBondContact O-N 3.29Å; I145-K148 PolarHBondContact O-N 3.26Å; I145-K148 VanDerWaalsContact O-N 3.12Å
149L67.7Low70.6Confident58 Ų5893.9 Ų93.930%0.30448%0.481SS..  trans-91.1123.7179.3-72.8163.1000110.2W143 R144 H147 D153 V154W143-L149 HydrophobicContact CH2-CD1 3.83Å; W143-L149 HydrophobicContact CZ3-CD1 3.95Å; R144-L149 HydrophobicContact CG-CB 3.95Å; R144-L149 VanDerWaalsContact CG-O 3.22Å; R144-L149 WeakPolarHBondContact CG-O 3.27Å; R144-L149 PolarHBondContact NH1-O 3.42Å; R144-L149 VanDerWaalsContact NH1-O 3.08Å; R144-L149 PolarHBondContact O-N 3.02Å; H147-L149 HydrophobicContact CB-CD1 3.9Å; H147-L149 HydrophobicContact CB-CG 4.21Å; H147-L149 PolarHBondContact O-N 3.12Å; L149-D153 HydrophobicContact CD2-CB 3.93Å; L149-V154 HydrophobicContact CB-CG2 4.29Å
150S73.9Confident69.8Low52 Ų5292.8 Ų92.836%0.36448%0.481SS..  trans-74.5161.4170.3810000110.5A152 D153 V154S150-A152 PolarHBondContact O-N 3.28Å; S150-A152 PolarHBondContact OG-N 2.86Å; S150-D153 VanDerWaalsContact CB-OD2 3.23Å; S150-D153 WeakPolarHBondContact CB-OD2 3.42Å; S150-D153 PolarHBondContact N-OD2 3.13Å; S150-D153 PolarHBondContact O-N 3.28Å; S150-D153 VanDerWaalsContact OG-CG 3.25Å; S150-D153 PolarHBondContact OG-N 3.38Å; S150-D153 PolarHBondContact OG-OD2 3.05Å; S150-V154 PolarHBondContact O-N 3.2Å
151V71.1Confident68.8Low82 Ų8293.5 Ų93.550%0.49749%0.493SS..Hα-helixtrans-58-36.1174.6-177.30000110.5D153 V154 E155V151-D153 VanDerWaalsContact C-N 3.33Å; V151-D153 PolarHBondContact O-N 3.09Å; V151-V154 PolarHBondContact O-N 3.11Å; V151-E155 PolarHBondContact O-N 3.16Å
152A71.1Confident67.6Low60 Ų6093.4 Ų93.450%0.49651%0.507SS..Hα-helixtrans-66-31.9176.300000113.1S150 K156S150-A152 PolarHBondContact O-N 3.28Å; S150-A152 PolarHBondContact OG-N 2.86Å; A152-K156 WeakPolarHBondContact O-CB 3.4Å; A152-K156 PolarHBondContact O-N 3.37Å
153D69.5Low66.1Low75 Ų7595.7 Ų95.740%0.40152%0.522SS..Hα-helixtrans-72.3-36176.6-60.3-53.7000111.7L149 S150 V151 K156 A157L149-D153 HydrophobicContact CD2-CB 3.93Å; S150-D153 VanDerWaalsContact CB-OD2 3.23Å; S150-D153 WeakPolarHBondContact CB-OD2 3.42Å; S150-D153 PolarHBondContact N-OD2 3.13Å; S150-D153 PolarHBondContact O-N 3.28Å; S150-D153 VanDerWaalsContact OG-CG 3.25Å; S150-D153 PolarHBondContact OG-N 3.38Å; S150-D153 PolarHBondContact OG-OD2 3.05Å; V151-D153 VanDerWaalsContact C-N 3.33Å; V151-D153 PolarHBondContact O-N 3.09Å; D153-K156 PolarHBondContact O-N 3.48Å; D153-A157 WeakPolarHBondContact O-CB 3.49Å; D153-A157 PolarHBondContact O-N 3.1Å
154V66.3Low64.2Low30 Ų3094.2 Ų94.218%0.18253%0.531CS..Hα-helixtrans-70.3-41.2174.9179.20000110.9F140 R144 L149 S150 V151 A157 T158F140-V154 HydrophobicContact CZ-CG1 4.06Å; R144-V154 HydrophobicContact CG-CG2 4.08Å; L149-V154 HydrophobicContact CB-CG2 4.29Å; S150-V154 PolarHBondContact O-N 3.2Å; V151-V154 PolarHBondContact O-N 3.11Å; V154-A157 PolarHBondContact O-N 3.29Å; V154-T158 WeakPolarHBondContact O-CG2 3.45Å; V154-T158 PolarHBondContact O-N 3.21Å; V154-T158 PolarHBondContact O-OG1 3.4Å
155E66.3Low62.1Low124 Ų124100.6 Ų100.658%0.57956%0.562SS**Hα-helixtrans-64.1-38.4173.3-78.6-175.8152.100112.2V151 A157 T158 S159V151-E155 PolarHBondContact O-N 3.16Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-T158 WeakPolarHBondContact CA-OG1 3.38Å; E155-T158 PolarHBondContact O-N 3.26Å; E155-T158 PolarHBondContact O-OG1 2.76Å; E155-S159 WeakPolarHBondContact O-CB 3.29Å; E155-S159 PolarHBondContact O-N 2.99Å; E155-S159 PolarHBondContact O-OG 2.85Å
156K65.9Low60Low143 Ų143102.7 Ų102.762%0.62257%0.569SS**Hα-helixtrans-70.5-29176.8-162.7172.9-172.31770113A152 D153 S159 K160A152-K156 WeakPolarHBondContact O-CB 3.4Å; A152-K156 PolarHBondContact O-N 3.37Å; D153-K156 PolarHBondContact O-N 3.48Å; K156-S159 WeakPolarHBondContact CA-OG 3.37Å; K156-S159 PolarHBondContact O-OG 3.33Å; K156-K160 PolarHBondContact O-N 3.5Å
157A63.4Low58Low58 Ų58106.6 Ų106.648%0.47958%0.575SS.*Hα-helixtrans-76.6-39.5174.200000112.4D153 V154 E155 K160 V161D153-A157 WeakPolarHBondContact O-CB 3.49Å; D153-A157 PolarHBondContact O-N 3.1Å; V154-A157 PolarHBondContact O-N 3.29Å; E155-A157 VanDerWaalsContact C-N 3.35Å; A157-K160 PolarHBondContact O-N 3.15Å; A157-V161 PolarHBondContact O-N 2.82Å
158T61.2Low55.9Low86 Ų86108 Ų10853%0.52859%0.59SS.*Hα-helixtrans-73.6-35.3179.550.90000112.7V154 E155 K160 V161 A162V154-T158 WeakPolarHBondContact O-CG2 3.45Å; V154-T158 PolarHBondContact O-N 3.21Å; V154-T158 PolarHBondContact O-OG1 3.4Å; E155-T158 WeakPolarHBondContact CA-OG1 3.38Å; E155-T158 PolarHBondContact O-N 3.26Å; E155-T158 PolarHBondContact O-OG1 2.76Å; T158-K160 VanDerWaalsContact C-N 3.32Å; T158-K160 PolarHBondContact O-N 2.89Å; T158-V161 PolarHBondContact O-N 3.27Å; T158-A162 PolarHBondContact O-N 2.88Å
159S56Low54Low67 Ų67107.7 Ų107.747%0.46959%0.589SS.*Hα-helixtrans-71.3-21.9173.8480000113.8E155 K156E155-S159 WeakPolarHBondContact O-CB 3.29Å; E155-S159 PolarHBondContact O-N 2.99Å; E155-S159 PolarHBondContact O-OG 2.85Å; K156-S159 WeakPolarHBondContact CA-OG 3.37Å; K156-S159 PolarHBondContact O-OG 3.33Å
160K52.5Low52.2Low156 Ų156110.3 Ų110.368%0.67861%0.607SS**Hα-helixtrans-74.8-28.3169.9-94.3-179174.1-178.50113.8K156 A157 T158 S164K156-K160 PolarHBondContact O-N 3.5Å; A157-K160 PolarHBondContact O-N 3.15Å; T158-K160 VanDerWaalsContact C-N 3.32Å; T158-K160 PolarHBondContact O-N 2.89Å; K160-S164 PolarHBondContact O-OG 3.01Å
161V51.5Low50.2Low117 Ų117114.3 Ų114.371%0.70963%0.625SS**Hα-helixtrans-79.7-27.9177.6178.20000111.5A157 T158 S164A157-V161 PolarHBondContact O-N 2.82Å; T158-V161 PolarHBondContact O-N 3.27Å; V161-S164 PolarHBondContact O-OG 2.82Å
162A44.9Very low48.5Very low83 Ų83117.7 Ų117.769%0.68664%0.635SS**Hα-helixtrans-76.1-19.517700000114.3T158T158-A162 PolarHBondContact O-N 2.88Å
163N43.1Very low46.7Very low147 Ų147120.8 Ų120.879%0.78664%0.643SS**THydrogen-bonded Turntrans-112.29.8-175.2-90.51.5000114.8H165N163-H165 PolarHBondContact O-N 3.16Å
164S37.9Very low45Very low91 Ų91123.8 Ų123.864%0.63665%0.654SS**  trans-93.966.1-178.825.70000112K160 V161K160-S164 PolarHBondContact O-OG 3.01Å; V161-S164 PolarHBondContact O-OG 2.82Å
165H37.8Very low43.7Very low179 Ų179129.4 Ų129.483%0.82968%0.679SS**SBendtrans-136.143.8164-149.5-78.1000111.9N163N163-H165 PolarHBondContact O-N 3.16Å
166E32.9Very low42.3Very low155 Ų155128.2 Ų128.272%0.72468%0.684SS**SBendtrans-167.5131.2155.8-121.5173.9121.900114.6
167K34.5Very low40.7Very low177 Ų177128.6 Ų128.677%0.7769%0.693SS**  trans65.998.2149.1-77.4164.1180151.10121.6
168V30.1Very low39.3Very low134 Ų134129.7 Ų129.781%0.81270%0.702SS**  trans-8.3125.2130.9-165.50000116.8
169K36.4Very low38.2Very low188 Ų188134.2 Ų134.282%0.81772%0.717SS**  164107.7122.3-87.2-179.5-176.3-179.30114.2
170T29.5Very low37.3Very low112 Ų112140.1 Ų140.169%0.68773%0.734SS**  trans37.5119.1132.953.40000124.2
171N32.1Very low36.8Very low136 Ų136137.1 Ų137.173%0.72773%0.733SS**  95.6143.4121.1-63.9-0.1000123.9
172H35.3Very low36.1Very low154 Ų154137.8 Ų137.871%0.71373%0.733SS**  trans83.5106.1161.2-78.2-75000117.9
173D33.8Very low36.2Very low124 Ų124141.1 Ų141.166%0.66374%0.737SS**  83.7143.990.4-78.5-0.4000111
174E33.6Very low36Very low138 Ų138144.4 Ų144.465%0.64574%0.739SS**  cis-168.1160.65.1-122.9-175.3132.400107.8
175Q39Very low36.2Very low148 Ų148146.5 Ų146.569%0.69274%0.743SS**  trans65.4115143.5-74.2169.97.500122.1
176S36.9Very low36.4Very low100 Ų100143 Ų14370%0.69974%0.739SS**  86.7148.494.985.70000112.4
177N32.2Very low36.8Very low150 Ų150140.6 Ų140.680%0.80275%0.745SS**  cis-168.213915.5-130-11.4000105
178A34.3Very low37.1Very low81 Ų81137.7 Ų137.767%0.66975%0.747SS**  99.215397.700000116.7
179E37.4Very low37.8Very low181 Ų181136.2 Ų136.285%0.84674%0.741SS**  trans98.6106164.5-60.7-172.6137.400118.6
180K37.7Very low37.8Very low191 Ų191135.5 Ų135.583%0.8374%0.737SS**  76.6137.179.8-115.3177.1174.61770112.1
181S42.1Very low38.1Very low93 Ų93139.6 Ų139.665%0.6574%0.74SS**  cis-174.8152.935.846.20000112.7
182D37.3Very low38.7Very low131 Ų131141.6 Ų141.670%0.70175%0.745SS**  trans43.8139.3142.5-56.5-51.6000122.5
183I47.4Very low38.7Very low153 Ų153140.2 Ų140.279%0.78575%0.753SS**  -173.512078.7-77.4156.2000108.9
184R38.5Very low39.1Very low216 Ų216138.9 Ų138.982%0.81576%0.759SS**  35.7135.1113.3-56.7-178.1-176.7175.81.5116.9
185D41.9Very low39.2Very low136 Ų136138.9 Ų138.973%0.72776%0.763SS**  -177.812564.9-110.2-43.2000108.6
186S41.3Very low39.3Very low105 Ų105139.2 Ų139.273%0.73477%0.77SS**  79.4119.39462.30000117.9
187A42Very low39.3Very low105 Ų105140.5 Ų140.587%0.86877%0.769SS**  trans148109.8131.300000114.9
188S40.8Very low40.1Very low115 Ų115142.5 Ų142.580%0.80477%0.773SS**  trans-83.9-163.6162.4-45.70000110.1
189P45.3Very low40.2Very low104 Ų104146.1 Ų146.168%0.67578%0.779SS**  cis-146.7-173.2-6.239-17.3000117.1
190K36.4Very low40.3Very low172 Ų172140.6 Ų140.675%0.74877%0.771SS**  trans76.4145.5147-85.3171.7-175.2172.60116.8
191R35Very low40.4Very low199 Ų199140.2 Ų140.275%0.75177%0.772SS**  cis179.51396.4-132.1171.3-179.2-166.1-2.9106.1
192Q45.2Very low40.4Very low177 Ų177147.5 Ų147.583%0.82779%0.786SS**  150.3115.8118.8-85.7159.214.500108
193S34.6Very low40.7Very low125 Ų125148.7 Ų148.787%0.87479%0.787SS**  65.911583.5-99.60000116.5
194A43.1Very low40.7Very low96 Ų96150 Ų15079%0.79380%0.795SS**  trans141.392.2146.800000109.5
195N34.4Very low41Very low138 Ų138147.4 Ų147.474%0.73879%0.792SS**  50.598.580.8-149.722.8000113.8
196N41.3Very low41.2Very low155 Ų155145.7 Ų145.783%0.82980%0.796SS**  -166.8134.7124.1-110.6-13.6000113.7
197N37.9Very low41.8Very low127 Ų127149.6 Ų149.668%0.67980%0.8SS**  trans-69.6136176.5-66.9-45.9000111.4
198H47.4Very low42.2Very low193 Ų193153.4 Ų153.489%0.89480%0.797SS**  trans-131.189.8152.9-108-57000109.8G200H198-G200 VanDerWaalsContact C-N 3.34Å; H198-G200 PolarHBondContact O-N 3.09Å; H198-G200 VanDerWaalsContact O-N 3.11Å
199I37.5Very low42.4Very low156 Ų156154 Ų15480%0.880%0.798SS**  trans-67.596.1158.5-71.9162.3000106
200G38.3Very low43.1Very low65 Ų65157.9 Ų157.967%0.6780%0.804SS**  trans-95.2105.1170.800000109.4H198 R202H198-G200 VanDerWaalsContact C-N 3.34Å; H198-G200 PolarHBondContact O-N 3.09Å; H198-G200 VanDerWaalsContact O-N 3.11Å; G200-R202 PolarHBondContact O-N 2.79Å
201Q41Very low44.5Very low184 Ų184159.4 Ų159.486%0.8681%0.811SS**  trans-52.7107.3167-74.4171-18.400109.3Q203Q201-Q203 PolarHBondContact O-N 3.36Å
202R42.2Very low46.1Very low246 Ų246154 Ų15493%0.92881%0.809SS**  trans-8497.5171.2-140.4173.2-160.71735.2107.7G200 L204G200-R202 PolarHBondContact O-N 2.79Å; R202-L204 PolarHBondContact O-N 3.26Å
203Q43.9Very low47.6Very low156 Ų156149.9 Ų149.973%0.72980%0.798SS**  trans-45.2130.6171.2-75.3172.9-4.200110.5Q201 E205Q201-Q203 PolarHBondContact O-N 3.36Å; Q203-E205 VanDerWaalsContact C-N 3.26Å; Q203-E205 PolarHBondContact O-N 2.88Å
204L47.2Very low50.2Low181 Ų181147.5 Ų147.595%0.94878%0.779SS**  trans-69.684.8169-76.3155.9000108.2R202R202-L204 PolarHBondContact O-N 3.26Å
205E43.7Very low52.5Low161 Ų161145.7 Ų145.775%0.75275%0.754SS**  trans-72.8125.6168.8-67.6-170.7167.700109.8Q203 K207Q203-E205 VanDerWaalsContact C-N 3.26Å; Q203-E205 PolarHBondContact O-N 2.88Å; E205-K207 PolarHBondContact O-N 2.83Å
206A47.6Very low55.2Low99 Ų99142.4 Ų142.482%0.81874%0.741SS**  trans-55.2116178.800000111.2K208A206-K208 PolarHBondContact O-N 3.27Å; A206-K208 VanDerWaalsContact O-N 3.16Å
207K52.5Low57.7Low188 Ų188137.4 Ų137.482%0.81772%0.718SS**  trans-64.2113.2178-77.3175.9177.1166.40110.2E205E205-K207 PolarHBondContact O-N 2.83Å
208K50.5Low60.3Low185 Ų185132.3 Ų132.380%0.80469%0.691SS**PPolyproline II helixtrans-54.6149.4165.9-67.7178.9-179.8178.10110.5A206 K210A206-K208 PolarHBondContact O-N 3.27Å; A206-K208 VanDerWaalsContact O-N 3.16Å; K208-K210 PolarHBondContact O-N 3.03Å
209P45.7Very low62.6Low126 Ų126123.1 Ų123.182%0.81865%0.648SS**PPolyproline II helixtrans-56.8122.2-178.123-33.2000110.3K211P209-K211 PolarHBondContact O-N 3.32Å
210K59.5Low65.2Low187 Ų187122.9 Ų122.981%0.81364%0.641SS**PPolyproline II helixtrans-65.4120.2177.9-69.8179.6179.5175.90108.1K208 A212K208-K210 PolarHBondContact O-N 3.03Å; K210-A212 PolarHBondContact O-N 3.07Å
211K65.7Low67.9Low203 Ų203122.6 Ų122.688%0.88364%0.639SS**PPolyproline II helixtrans-56136.9170.8-66.5-179.7178-178.90108.8P209P209-K211 PolarHBondContact O-N 3.32Å
212A68.4Low70.5Confident87 Ų87114 Ų11472%0.71960%0.599SS**PPolyproline II helixtrans-51.8141.7177.300000110.7K210K210-A212 PolarHBondContact O-N 3.07Å
213P76.4Confident73.1Confident90 Ų90103.4 Ų103.458%0.58456%0.561SS**PPolyproline II helixtrans-59.7145.9178.425.6-33.2000110.4
214P89.3Confident75.6Confident75 Ų7596 Ų9649%0.48753%0.526SS..PPolyproline II helixtrans-63.4151.5177.228.2-34.5000110.4S216 C217P214-S216 PolarHBondContact O-N 3.03Å; P214-S216 VanDerWaalsContact O-N 3.09Å; P214-C217 HydrophobicContact CG-CB 4.04Å; P214-C217 WeakPolarHBondContact O-CB 3.48Å; P214-C217 PolarHBondContact O-N 3.48Å
215F91.2Very high78Confident58 Ų5887.4 Ų87.425%0.25448%0.481SS..G310 helixtrans-52.2-34.8178.5-179.8-98.5000112.9C217 L218 K243 M244 F288 K291F215-C217 PolarHBondContact O-N 3.31Å; F215-C217 VanDerWaalsContact O-N 3.13Å; F215-L218 HydrophobicContact CD2-CD1 3.38Å; F215-L218 HydrophobicContact CD2-CG 4.44Å; F215-L218 HydrophobicContact CE2-CD1 3.67Å; F215-L218 HydrophobicContact CG-CD1 4.16Å; F215-L218 WeakPolarHBondContact O-CG 3.23Å; F215-L218 PolarHBondContact O-N 2.99Å; F215-K243 HydrophobicContact CD1-CG 4.46Å; F215-K243 HydrophobicContact CE1-CB 4.43Å; F215-K243 HydrophobicContact CE1-CD 4.49Å; F215-K243 HydrophobicContact CE1-CG 4Å; F215-M244 HydrophobicContact CD1-CG 4.36Å; F215-M244 HydrophobicContact CE1-CG 3.6Å; F215-M244 HydrophobicContact CE2-CG 3.94Å; F215-M244 HydrophobicContact CE2-SD 4.35Å; F215-M244 HydrophobicContact CZ-CG 3.36Å; F215-M244 HydrophobicContact CZ-SD 4.08Å; F215-M244 WeakPolarHBondContact O-CA 3.36Å; F215-F288 HydrophobicContact CE1-CD2 4.18Å; F215-F288 HydrophobicContact CE1-CE2 4.03Å; F215-F288 AromaticContact CZ-CD2 3.58Å; F215-F288 HydrophobicContact CZ-CD2 3.58Å; F215-F288 AromaticContact CZ-CE2 3.79Å; F215-F288 HydrophobicContact CZ-CE2 3.79Å; F215-F288 HydrophobicContact CZ-CG 4.21Å; F215-K291 HydrophobicContact CD2-CB 4.02Å; F215-K291 HydrophobicContact CD2-CG 4.13Å; F215-K291 HydrophobicContact CE2-CB 4.12Å; F215-K291 HydrophobicContact CE2-CG 3.97Å
216S92.8Very high80.5Confident69 Ų6979.8 Ų79.848%0.48345%0.446SS..G310 helixtrans-69.9-0.7176.858.40000115P214 K243 M244 G245P214-S216 PolarHBondContact O-N 3.03Å; P214-S216 VanDerWaalsContact O-N 3.09Å; S216-K243 WeakPolarHBondContact CA-O 3.33Å; S216-M244 CarbonylContact C-O 3.5Å; S216-M244 CarbonylContact O-C 3.51Å; S216-G245 WeakPolarHBondContact O-CA 3.28Å; S216-G245 PolarHBondContact O-N 3.49Å
217C92.3Very high82.8Confident49 Ų4975.5 Ų75.533%0.33141%0.41SS..G310 helixtrans-115.42.7176.5-72.70000113.3P214 F215 L219 K220P214-C217 HydrophobicContact CG-CB 4.04Å; P214-C217 WeakPolarHBondContact O-CB 3.48Å; P214-C217 PolarHBondContact O-N 3.48Å; F215-C217 PolarHBondContact O-N 3.31Å; F215-C217 VanDerWaalsContact O-N 3.13Å; C217-L219 PolarHBondContact O-N 2.96Å; C217-K220 WeakPolarHBondContact O-CB 3.46Å; C217-K220 PolarHBondContact O-N 3.41Å
218L92.8Very high84.8Confident21 Ų2168.3 Ų68.311%0.1139%0.389CS..THydrogen-bonded Turntrans-59.5-44.3-177-72.4177000112.6F215 M244 R293F215-L218 HydrophobicContact CD2-CD1 3.38Å; F215-L218 HydrophobicContact CD2-CG 4.44Å; F215-L218 HydrophobicContact CE2-CD1 3.67Å; F215-L218 HydrophobicContact CG-CD1 4.16Å; F215-L218 WeakPolarHBondContact O-CG 3.23Å; F215-L218 PolarHBondContact O-N 2.99Å; L218-M244 HydrophobicContact CB-CB 4.32Å; L218-M244 HydrophobicContact CD1-CG 4.44Å; L218-M244 HydrophobicContact CD1-SD 4.45Å; L218-M244 PolarHBondContact N-O 3.26Å; L218-M244 VanDerWaalsContact N-O 3.12Å; L218-R293 WeakPolarHBondContact O-CD 3.2Å
219L95.3Very high86.8Confident0 Ų060.3 Ų60.30%035%0.354CS..THydrogen-bonded Turntrans-107.225.2179.3-60.4-173.7000112.2C217 G221 V222 M244 A246 W283 R293C217-L219 PolarHBondContact O-N 2.96Å; L219-G221 PolarHBondContact O-N 3.41Å; L219-V222 HydrophobicContact CB-CB 4.23Å; L219-V222 HydrophobicContact CB-CG2 4.05Å; L219-V222 HydrophobicContact CD2-CG2 4.46Å; L219-V222 VanDerWaalsContact O-CB 3.23Å; L219-V222 WeakPolarHBondContact O-CB 3.26Å; L219-V222 WeakPolarHBondContact O-CG2 3.28Å; L219-V222 PolarHBondContact O-N 3.48Å; L219-M244 HydrophobicContact CB-CB 4.22Å; L219-M244 HydrophobicContact CD1-CB 4.1Å; L219-M244 HydrophobicContact CD1-CE 3.6Å; L219-M244 HydrophobicContact CD1-SD 4.23Å; L219-M244 HydrophobicContact CG-CB 3.95Å; L219-M244 HydrophobicContact CG-CE 4.39Å; L219-M244 HydrophobicContact CG-SD 4.4Å; L219-M244 PolarHBondContact N-O 3.07Å; L219-A246 HydrophobicContact CB-CB 3.93Å; L219-A246 HydrophobicContact CD1-CB 4.39Å; L219-W283 HydrophobicContact CD2-CH2 3.92Å; L219-W283 HydrophobicContact CD2-CZ2 3.81Å; L219-R293 HydrophobicContact CD2-CG 4.26Å
220K93.8Very high89Confident150 Ų15061 Ų6165%0.65235%0.348SS*.THydrogen-bonded Turntrans-58.6131.3176.4-173.2176.8-179.41790110.3C217 V222C217-K220 WeakPolarHBondContact O-CB 3.46Å; C217-K220 PolarHBondContact O-N 3.41Å; K220-V222 VanDerWaalsContact C-N 3.34Å
221G93.7Very high90.3Very high60 Ų6059.6 Ų59.662%0.61934%0.344SS*.THydrogen-bonded Turntrans90.1-6.4-176.500000114.4L219 T223L219-G221 PolarHBondContact O-N 3.41Å; G221-T223 PolarHBondContact O-N 2.93Å
222V96Very high91.6Very high4 Ų454.5 Ų54.52%0.02433%0.332CS..  trans-82.1115.7171.6177.30000108.6L219 K220 F224 A246 T247 H258 W283L219-V222 HydrophobicContact CB-CB 4.23Å; L219-V222 HydrophobicContact CB-CG2 4.05Å; L219-V222 HydrophobicContact CD2-CG2 4.46Å; L219-V222 VanDerWaalsContact O-CB 3.23Å; L219-V222 WeakPolarHBondContact O-CB 3.26Å; L219-V222 WeakPolarHBondContact O-CG2 3.28Å; L219-V222 PolarHBondContact O-N 3.48Å; K220-V222 VanDerWaalsContact C-N 3.34Å; V222-F224 HydrophobicContact CG1-CB 4.28Å; V222-A246 HydrophobicContact CB-CB 4.05Å; V222-A246 HydrophobicContact CG1-CB 4.14Å; V222-A246 CarbonylContact O-C 3.59Å; V222-A246 WeakPolarHBondContact O-CA 3.25Å; V222-T247 PolarHBondContact O-N 3.46Å; V222-H258 HydrophobicContact CG1-CB 4.36Å; V222-W283 HydrophobicContact CG1-CH2 4.17Å; V222-W283 HydrophobicContact CG1-CZ3 4.16Å; V222-W283 HydrophobicContact CG2-CH2 3.89Å
223T96.9Very high92.9Very high22 Ų2254.3 Ų54.314%0.13532%0.317CS..EExtended strand (participates in β ladder)trans-108.2118.3168.6-560000107.4G221 T247 R249 Q255 T257 H258G221-T223 PolarHBondContact O-N 2.93Å; T223-T247 CarbonylContact C-O 3.44Å; T223-T247 VanDerWaalsContact CA-O 3.27Å; T223-T247 WeakPolarHBondContact CA-O 3.48Å; T223-T247 HydrophobicContact CG2-CG2 4.48Å; T223-R249 HydrophobicContact CG2-CG 3.58Å; T223-Q255 WeakPolarHBondContact CB-O 3.28Å; T223-Q255 WeakPolarHBondContact CG2-O 3.05Å; T223-Q255 PolarHBondContact OG1-O 2.95Å; T223-T257 PolarHBondContact N-OG1 2.93Å; T223-T257 PolarHBondContact O-N 2.97Å; T223-T257 PolarHBondContact O-OG1 3.22Å; T223-H258 PolarHBondContact O-N 3.47Å; T223-H258 VanDerWaalsContact O-N 3.09Å
224F97.3Very high93.8Very high1 Ų152.5 Ų52.50%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-128.4152.6-168.176.9-77.7000114.6V222 L226 A241 A246 T247 Y248 R249 H258 I260V222-F224 HydrophobicContact CG1-CB 4.28Å; F224-L226 HydrophobicContact CD2-CD2 3.93Å; F224-L226 HydrophobicContact CD2-CG 4.24Å; F224-L226 HydrophobicContact CE2-CD1 4.39Å; F224-L226 HydrophobicContact CE2-CD2 3.75Å; F224-L226 HydrophobicContact CE2-CG 3.89Å; F224-A241 HydrophobicContact CD1-CB 4.34Å; F224-A241 HydrophobicContact CE1-CB 3.58Å; F224-A241 HydrophobicContact CE2-CB 4.13Å; F224-A241 HydrophobicContact CZ-CB 3.46Å; F224-A241 VanDerWaalsContact CZ-CB 3.46Å; F224-A246 HydrophobicContact CD1-CB 3.76Å; F224-A246 HydrophobicContact CE1-CB 3.77Å; F224-T247 WeakPolarHBondContact CD1-O 3.28Å; F224-T247 PolarHBondContact N-O 2.9Å; F224-Y248 HydrophobicContact CD2-CD2 4.37Å; F224-Y248 AromaticContact CE2-CD2 3.79Å; F224-Y248 HydrophobicContact CE2-CD2 3.79Å; F224-Y248 AromaticContact CZ-CD2 3.93Å; F224-Y248 HydrophobicContact CZ-CD2 3.93Å; F224-Y248 HydrophobicContact CZ-CG 4.31Å; F224-R249 PolarHBondContact O-N 2.72Å; F224-H258 CarbonylContact C-O 3.58Å; F224-H258 WeakPolarHBondContact CA-O 3.1Å; F224-H258 HydrophobicContact CB-CB 4.22Å; F224-H258 WeakPolarHBondContact CB-O 3.33Å; F224-I260 HydrophobicContact CB-CG1 4.21Å; F224-I260 HydrophobicContact CD2-CG1 3.79Å; F224-I260 HydrophobicContact CG-CG1 4.35Å
225V97.1Very high94.2Very high0 Ų049.2 Ų49.20%028%0.279CS..EExtended strand (participates in β ladder)trans-121145174.1-178.80000109.2R249 N251 W252 C256 H258 L259 I260 K268V225-R249 HydrophobicContact CG2-CB 4.04Å; V225-N251 WeakPolarHBondContact CG2-O 3.49Å; V225-W252 HydrophobicContact CB-CE3 4.34Å; V225-W252 HydrophobicContact CG2-CE3 4.02Å; V225-C256 HydrophobicContact CG2-CB 4.33Å; V225-C256 VanDerWaalsContact CG2-SG 3.51Å; V225-H258 PolarHBondContact N-O 3.08Å; V225-L259 HydrophobicContact CB-CD1 4.04Å; V225-L259 HydrophobicContact CG1-CD1 4.13Å; V225-I260 PolarHBondContact O-N 3.38Å; V225-K268 HydrophobicContact CG1-CD 4.27Å
226L96.8Very high94.5Very high1 Ų149.8 Ų49.81%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-102.8133177.2-64.4179.9000111.6F224 F229 R234 L237 R238 Y248 I260F224-L226 HydrophobicContact CD2-CD2 3.93Å; F224-L226 HydrophobicContact CD2-CG 4.24Å; F224-L226 HydrophobicContact CE2-CD1 4.39Å; F224-L226 HydrophobicContact CE2-CD2 3.75Å; F224-L226 HydrophobicContact CE2-CG 3.89Å; L226-F229 HydrophobicContact CB-CD2 4.19Å; L226-F229 HydrophobicContact CD2-CD2 4.18Å; L226-F229 HydrophobicContact CD2-CE2 4.16Å; L226-R234 HydrophobicContact CD1-CG 3.73Å; L226-R234 VanDerWaalsContact CD1-O 3.25Å; L226-R234 WeakPolarHBondContact CD1-O 3.37Å; L226-R234 PolarHBondContact O-NH1 3.13Å; L226-R234 PolarHBondContact O-NH2 3.45Å; L226-L237 HydrophobicContact CD1-CB 4.38Å; L226-L237 HydrophobicContact CD2-CB 4.29Å; L226-R238 HydrophobicContact CD1-CB 4.14Å; L226-Y248 HydrophobicContact CB-CE2 4.33Å; L226-Y248 HydrophobicContact CD1-CE2 4.09Å; L226-Y248 HydrophobicContact CG-CD2 4.4Å; L226-Y248 HydrophobicContact CG-CE2 3.98Å; L226-I260 HydrophobicContact CD2-CB 3.68Å; L226-I260 HydrophobicContact CD2-CG1 4.04Å; L226-I260 HydrophobicContact CD2-CG2 4.12Å
227S95.3Very high94.7Very high9 Ų946.6 Ų46.66%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-134.4133.4175.7-179.10000112.5I260 A262 T266S227-I260 PolarHBondContact N-O 3.33Å; S227-A262 PolarHBondContact O-N 3.34Å; S227-T266 PolarHBondContact OG-OG1 2.86Å
228G93.2Very high95Very high37 Ų3748 Ų4838%0.38126%0.26SS..SBendtrans81.39.7173.500000116A262 F263G228-A262 WeakPolarHBondContact O-CB 3.18Å; G228-F263 WeakPolarHBondContact O-CE2 3.46Å
229F94.4Very high95.2Very high17 Ų1751.4 Ų51.48%0.07528%0.278CS..PPolyproline II helixtrans-99.7131.9176.6-57.9-67.6000111.9L226 M233 R234 L237 I260 C261 A262 K281L226-F229 HydrophobicContact CB-CD2 4.19Å; L226-F229 HydrophobicContact CD2-CD2 4.18Å; L226-F229 HydrophobicContact CD2-CE2 4.16Å; F229-M233 HydrophobicContact CD1-CG 4.39Å; F229-M233 HydrophobicContact CD1-SD 3.69Å; F229-M233 HydrophobicContact CE1-SD 4.28Å; F229-R234 HydrophobicContact CB-CB 3.94Å; F229-R234 HydrophobicContact CB-CG 4.39Å; F229-L237 HydrophobicContact CD1-CD1 3.8Å; F229-L237 HydrophobicContact CD2-CD1 3.83Å; F229-L237 HydrophobicContact CE1-CD1 3.82Å; F229-L237 HydrophobicContact CE2-CD1 3.83Å; F229-L237 HydrophobicContact CG-CD1 3.82Å; F229-L237 HydrophobicContact CZ-CD1 3.83Å; F229-I260 HydrophobicContact CE2-CB 4.31Å; F229-I260 HydrophobicContact CE2-CG2 3.81Å; F229-I260 WeakPolarHBondContact CE2-O 3.46Å; F229-I260 HydrophobicContact CZ-CG2 3.99Å; F229-C261 VanDerWaalsContact CZ-C 3.46Å; F229-A262 HydrophobicContact CD1-CB 3.69Å; F229-A262 VanDerWaalsContact CE1-CA 3.5Å; F229-A262 HydrophobicContact CE1-CB 3.39Å; F229-A262 HydrophobicContact CE2-CB 4.45Å; F229-A262 HydrophobicContact CG-CB 4.31Å; F229-A262 HydrophobicContact CZ-CB 3.82Å; F229-A262 VanDerWaalsContact CZ-N 3.34Å; F229-K281 HydrophobicContact CE1-CB 3.85Å; F229-K281 HydrophobicContact CE1-CD 3.88Å; F229-K281 HydrophobicContact CE1-CG 4.26Å; F229-K281 HydrophobicContact CZ-CB 3.72Å
230M91.9Very high95.3Very high140 Ų14053.2 Ų53.269%0.6929%0.286SS*.PPolyproline II helixtrans-84153.5171.3-59.7172.872.400110.6M233 R234M230-M233 WeakPolarHBondContact O-CB 3.46Å; M230-M233 PolarHBondContact O-N 2.97Å; M230-R234 PolarHBondContact O-N 3.26Å
231H86Confident95.5Very high158 Ų15846.1 Ų46.173%0.73126%0.255SS*.THydrogen-bonded Turntrans-72.4138.4168.9-167.176.6000109.2
232P93.7Very high95.7Very high97 Ų9746.7 Ų46.763%0.6325%0.247SC*.THydrogen-bonded Turncis-84.4-14.713.232.7-36.4000115.9R234 G235 D236P232-R234 VanDerWaalsContact C-N 3.28Å; P232-R234 PolarHBondContact O-N 2.56Å; P232-G235 PolarHBondContact O-N 3.05Å; P232-D236 PolarHBondContact O-N 3.31Å; P232-D236 VanDerWaalsContact O-N 3.12Å
233M94.9Very high95.7Very high82 Ų8252.9 Ų52.940%0.40427%0.274SS..Hα-helixtrans-58-37.5-174.1-172-172.9-59.200113.1F229 M230 G235 D236 L237 K281F229-M233 HydrophobicContact CD1-CG 4.39Å; F229-M233 HydrophobicContact CD1-SD 3.69Å; F229-M233 HydrophobicContact CE1-SD 4.28Å; M230-M233 WeakPolarHBondContact O-CB 3.46Å; M230-M233 PolarHBondContact O-N 2.97Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.44Å; M233-D236 PolarHBondContact O-N 2.99Å; M233-L237 HydrophobicContact CG-CD1 4.24Å; M233-L237 WeakPolarHBondContact O-CG 3.46Å; M233-L237 PolarHBondContact O-N 3.45Å; M233-K281 HydrophobicContact SD-CD 4.08Å
234R96Very high95.7Very high53 Ų5351.8 Ų51.820%0.227%0.267CS..Hα-helixtrans-59.2-43.1176.3-171.5-177.6-179.580.88.6112.3L226 F229 M230 P232 R238 Y248L226-R234 HydrophobicContact CD1-CG 3.73Å; L226-R234 VanDerWaalsContact CD1-O 3.25Å; L226-R234 WeakPolarHBondContact CD1-O 3.37Å; L226-R234 PolarHBondContact O-NH1 3.13Å; L226-R234 PolarHBondContact O-NH2 3.45Å; F229-R234 HydrophobicContact CB-CB 3.94Å; F229-R234 HydrophobicContact CB-CG 4.39Å; M230-R234 PolarHBondContact O-N 3.26Å; P232-R234 VanDerWaalsContact C-N 3.28Å; P232-R234 PolarHBondContact O-N 2.56Å; R234-R238 PolarHBondContact O-N 2.92Å; R234-Y248 PolarHBondContact NH2-OH 2.98Å
235G96.6Very high95.7Very high6 Ų652.9 Ų52.96%0.06228%0.278CS..Hα-helixtrans-67.2-49178.600000111.1P232 M233 L237 R238 D239P232-G235 PolarHBondContact O-N 3.05Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.44Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 2.79Å; G235-R238 WeakPolarHBondContact O-CB 3.46Å; G235-R238 PolarHBondContact O-N 2.83Å; G235-R238 VanDerWaalsContact O-N 3.07Å; G235-D239 PolarHBondContact O-N 3.09Å
236D97.1Very high95.7Very high70 Ų7053 Ų5337%0.37428%0.28SS..Hα-helixtrans-56.8-44.2179.3-179.541.8000112.8P232 M233 R238 D239 K240P232-D236 PolarHBondContact O-N 3.31Å; P232-D236 VanDerWaalsContact O-N 3.12Å; M233-D236 PolarHBondContact O-N 2.99Å; D236-R238 PolarHBondContact O-N 3.03Å; D236-D239 PolarHBondContact O-N 3.34Å; D236-K240 VanDerWaalsContact CG-NZ 3.28Å; D236-K240 WeakPolarHBondContact O-CB 3.32Å; D236-K240 VanDerWaalsContact O-CG 3.28Å; D236-K240 WeakPolarHBondContact O-CG 3.48Å; D236-K240 PolarHBondContact O-N 3.19Å; D236-K240 WeakPolarHBondContact OD1-CD 3.33Å; D236-K240 WeakPolarHBondContact OD1-CE 3.41Å; D236-K240 IonicContact OD1-NZ 2.67Å; D236-K240 PolarHBondContact OD1-NZ 3Å; D236-K240 VanDerWaalsContact OD1-NZ 3.09Å; D236-K240 IonicContact OD2-NZ 2.76Å; D236-K240 PolarHBondContact OD2-NZ 2.81Å
237L97.5Very high95.8Very high1 Ų156 Ų561%0.00530%0.298CS..Hα-helixtrans-62.6-42.9175.6-75.2170.8000112.6L226 F229 M233 G235 A241 K281 I284 L285L226-L237 HydrophobicContact CD1-CB 4.38Å; L226-L237 HydrophobicContact CD2-CB 4.29Å; F229-L237 HydrophobicContact CD1-CD1 3.8Å; F229-L237 HydrophobicContact CD2-CD1 3.83Å; F229-L237 HydrophobicContact CE1-CD1 3.82Å; F229-L237 HydrophobicContact CE2-CD1 3.83Å; F229-L237 HydrophobicContact CG-CD1 3.82Å; F229-L237 HydrophobicContact CZ-CD1 3.83Å; M233-L237 HydrophobicContact CG-CD1 4.24Å; M233-L237 WeakPolarHBondContact O-CG 3.46Å; M233-L237 PolarHBondContact O-N 3.45Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 2.79Å; L237-A241 WeakPolarHBondContact O-CB 3.47Å; L237-A241 PolarHBondContact O-N 3.19Å; L237-K281 HydrophobicContact CD1-CB 3.94Å; L237-K281 HydrophobicContact CD2-CB 3.98Å; L237-I284 HydrophobicContact CD2-CB 4.28Å; L237-I284 HydrophobicContact CD2-CG2 4.18Å; L237-L285 HydrophobicContact CD2-CD2 4.01Å; L237-L285 HydrophobicContact CD2-CG 4.15Å
238R97.9Very high95.9Very high80 Ų8057.8 Ų57.830%0.30230%0.304SS..Hα-helixtrans-61.5-47.4177.9179.8-175.465.4-155.50.5110.7L226 R234 G235 D236 A241 T242 Y248L226-R238 HydrophobicContact CD1-CB 4.14Å; R234-R238 PolarHBondContact O-N 2.92Å; G235-R238 WeakPolarHBondContact O-CB 3.46Å; G235-R238 PolarHBondContact O-N 2.83Å; G235-R238 VanDerWaalsContact O-N 3.07Å; D236-R238 PolarHBondContact O-N 3.03Å; R238-A241 PolarHBondContact O-N 2.91Å; R238-T242 WeakPolarHBondContact O-CB 3.34Å; R238-T242 PolarHBondContact O-N 2.89Å; R238-T242 PolarHBondContact O-OG1 3.21Å; R238-Y248 HydrophobicContact CG-CD1 4.15Å; R238-Y248 HydrophobicContact CG-CD2 4.15Å; R238-Y248 HydrophobicContact CG-CG 3.85Å
239D97.7Very high96Very high91 Ų9161.4 Ų61.449%0.48731%0.306SS..Hα-helixtrans-68.6-42.8-174.7-61.3-11.9000110.8G235 D236 T242 K243G235-D239 PolarHBondContact O-N 3.09Å; D236-D239 PolarHBondContact O-N 3.34Å; D239-T242 PolarHBondContact O-N 3.33Å; D239-K243 VanDerWaalsContact O-CB 3.28Å; D239-K243 WeakPolarHBondContact O-CB 3.33Å; D239-K243 PolarHBondContact O-N 2.98Å
240K97.8Very high96Very high38 Ų3863.3 Ų63.317%0.16532%0.321CS..Hα-helixtrans-59.5-48.6174.1-75.7173173.1159.50112.4D236 K243 M244 I284 L285 F288D236-K240 VanDerWaalsContact CG-NZ 3.28Å; D236-K240 WeakPolarHBondContact O-CB 3.32Å; D236-K240 VanDerWaalsContact O-CG 3.28Å; D236-K240 WeakPolarHBondContact O-CG 3.48Å; D236-K240 PolarHBondContact O-N 3.19Å; D236-K240 WeakPolarHBondContact OD1-CD 3.33Å; D236-K240 WeakPolarHBondContact OD1-CE 3.41Å; D236-K240 IonicContact OD1-NZ 2.67Å; D236-K240 PolarHBondContact OD1-NZ 3Å; D236-K240 VanDerWaalsContact OD1-NZ 3.09Å; D236-K240 IonicContact OD2-NZ 2.76Å; D236-K240 PolarHBondContact OD2-NZ 2.81Å; K240-K243 PolarHBondContact O-N 3.44Å; K240-M244 WeakPolarHBondContact O-CE 3.23Å; K240-M244 PolarHBondContact O-N 3.07Å; K240-I284 HydrophobicContact CB-CG2 4Å; K240-L285 HydrophobicContact CD-CD2 3.91Å; K240-F288 HydrophobicContact CB-CB 4.5Å; K240-F288 HydrophobicContact CB-CD2 3.67Å; K240-F288 HydrophobicContact CB-CE2 4.09Å; K240-F288 HydrophobicContact CB-CG 4.13Å; K240-F288 HydrophobicContact CD-CD1 4.33Å; K240-F288 HydrophobicContact CD-CD2 4.49Å; K240-F288 HydrophobicContact CD-CG 4.23Å; K240-F288 HydrophobicContact CG-CD1 4.24Å; K240-F288 HydrophobicContact CG-CD2 3.7Å; K240-F288 HydrophobicContact CG-CE1 4.35Å; K240-F288 HydrophobicContact CG-CE2 3.82Å; K240-F288 HydrophobicContact CG-CG 3.93Å; K240-F288 HydrophobicContact CG-CZ 4.14Å
241A97.5Very high96.1Very high1 Ų161.4 Ų61.41%0.00831%0.314CS..Hα-helixtrans-65-42.6-179.800000112.2F224 L237 R238 K243 M244 G245 A246 I284F224-A241 HydrophobicContact CD1-CB 4.34Å; F224-A241 HydrophobicContact CE1-CB 3.58Å; F224-A241 HydrophobicContact CE2-CB 4.13Å; F224-A241 HydrophobicContact CZ-CB 3.46Å; F224-A241 VanDerWaalsContact CZ-CB 3.46Å; L237-A241 WeakPolarHBondContact O-CB 3.47Å; L237-A241 PolarHBondContact O-N 3.19Å; R238-A241 PolarHBondContact O-N 2.91Å; A241-K243 VanDerWaalsContact C-N 3.34Å; A241-K243 PolarHBondContact O-N 3.45Å; A241-M244 PolarHBondContact O-N 3.12Å; A241-M244 VanDerWaalsContact O-N 3.13Å; A241-G245 PolarHBondContact O-N 2.85Å; A241-A246 HydrophobicContact CB-CB 4.11Å; A241-A246 WeakPolarHBondContact O-CB 3.35Å; A241-A246 PolarHBondContact O-N 2.81Å; A241-I284 HydrophobicContact CB-CD1 3.94Å; A241-I284 HydrophobicContact CB-CG1 4.29Å; A241-I284 HydrophobicContact CB-CG2 4.05Å
242T97.4Very high96.4Very high72 Ų7255.7 Ų55.744%0.44229%0.286SS..Hα-helixtrans-65.6-38.7178.5-51.10000111.3R238 D239 M244 G245 A246R238-T242 WeakPolarHBondContact O-CB 3.34Å; R238-T242 PolarHBondContact O-N 2.89Å; R238-T242 PolarHBondContact O-OG1 3.21Å; D239-T242 PolarHBondContact O-N 3.33Å; T242-M244 PolarHBondContact O-N 3.04Å; T242-G245 PolarHBondContact O-N 3.35Å; T242-A246 WeakPolarHBondContact CA-O 3.45Å
243K97.2Very high96.3Very high134 Ų13454 Ų5458%0.58327%0.272SS*.Hα-helixtrans-63.1-24.4174.7-164.3171.6176.5175.90113.2F215 S216 D239 K240 A241 F288F215-K243 HydrophobicContact CD1-CG 4.46Å; F215-K243 HydrophobicContact CE1-CB 4.43Å; F215-K243 HydrophobicContact CE1-CD 4.49Å; F215-K243 HydrophobicContact CE1-CG 4Å; S216-K243 WeakPolarHBondContact CA-O 3.33Å; D239-K243 VanDerWaalsContact O-CB 3.28Å; D239-K243 WeakPolarHBondContact O-CB 3.33Å; D239-K243 PolarHBondContact O-N 2.98Å; K240-K243 PolarHBondContact O-N 3.44Å; A241-K243 VanDerWaalsContact C-N 3.34Å; A241-K243 PolarHBondContact O-N 3.45Å; K243-F288 HydrophobicContact CB-CE2 4.44Å; K243-F288 HydrophobicContact CD-CE2 4.05Å; K243-F288 HydrophobicContact CD-CZ 4.43Å
244M97.4Very high96.2Very high0 Ų058 Ų580%029%0.294CS..THydrogen-bonded Turntrans-89.1-0.4173.4-69.1-174.4-72.100114.2F215 S216 L218 L219 K240 A241 T242 I284 C287 F288F215-M244 HydrophobicContact CD1-CG 4.36Å; F215-M244 HydrophobicContact CE1-CG 3.6Å; F215-M244 HydrophobicContact CE2-CG 3.94Å; F215-M244 HydrophobicContact CE2-SD 4.35Å; F215-M244 HydrophobicContact CZ-CG 3.36Å; F215-M244 HydrophobicContact CZ-SD 4.08Å; F215-M244 WeakPolarHBondContact O-CA 3.36Å; S216-M244 CarbonylContact C-O 3.5Å; S216-M244 CarbonylContact O-C 3.51Å; L218-M244 HydrophobicContact CB-CB 4.32Å; L218-M244 HydrophobicContact CD1-CG 4.44Å; L218-M244 HydrophobicContact CD1-SD 4.45Å; L218-M244 PolarHBondContact N-O 3.26Å; L218-M244 VanDerWaalsContact N-O 3.12Å; L219-M244 HydrophobicContact CB-CB 4.22Å; L219-M244 HydrophobicContact CD1-CB 4.1Å; L219-M244 HydrophobicContact CD1-CE 3.6Å; L219-M244 HydrophobicContact CD1-SD 4.23Å; L219-M244 HydrophobicContact CG-CB 3.95Å; L219-M244 HydrophobicContact CG-CE 4.39Å; L219-M244 HydrophobicContact CG-SD 4.4Å; L219-M244 PolarHBondContact N-O 3.07Å; K240-M244 WeakPolarHBondContact O-CE 3.23Å; K240-M244 PolarHBondContact O-N 3.07Å; A241-M244 PolarHBondContact O-N 3.12Å; A241-M244 VanDerWaalsContact O-N 3.13Å; T242-M244 PolarHBondContact O-N 3.04Å; M244-I284 HydrophobicContact CE-CG2 3.9Å; M244-I284 WeakPolarHBondContact CE-O 3.36Å; M244-C287 HydrophobicContact CE-CB 4Å; M244-C287 VanDerWaalsContact SD-C 3.55Å; M244-C287 HydrophobicContact SD-CB 3.63Å; M244-F288 HydrophobicContact CE-CB 3.89Å; M244-F288 HydrophobicContact CE-CD2 4.27Å; M244-F288 HydrophobicContact CG-CD2 4.24Å; M244-F288 VanDerWaalsContact SD-CA 3.55Å; M244-F288 HydrophobicContact SD-CB 3.95Å; M244-F288 HydrophobicContact SD-CD2 4.29Å; M244-F288 PolarHBondContact SD-N 2.84Å; M244-F288 VanDerWaalsContact SD-N 3.42Å
245G96.5Very high96Very high23 Ų2361.8 Ų61.824%0.23732%0.315CS..THydrogen-bonded Turntrans97.11017700000116S216 A241 T242S216-G245 WeakPolarHBondContact O-CA 3.28Å; S216-G245 PolarHBondContact O-N 3.49Å; A241-G245 PolarHBondContact O-N 2.85Å; T242-G245 PolarHBondContact O-N 3.35Å
246A97.5Very high95.8Very high4 Ų462 Ų623%0.03332%0.315CS..PPolyproline II helixtrans-79.3152.7173.100000111.5L219 V222 F224 A241 T242L219-A246 HydrophobicContact CB-CB 3.93Å; L219-A246 HydrophobicContact CD1-CB 4.39Å; V222-A246 HydrophobicContact CB-CB 4.05Å; V222-A246 HydrophobicContact CG1-CB 4.14Å; V222-A246 CarbonylContact O-C 3.59Å; V222-A246 WeakPolarHBondContact O-CA 3.25Å; F224-A246 HydrophobicContact CD1-CB 3.76Å; F224-A246 HydrophobicContact CE1-CB 3.77Å; A241-A246 HydrophobicContact CB-CB 4.11Å; A241-A246 WeakPolarHBondContact O-CB 3.35Å; A241-A246 PolarHBondContact O-N 2.81Å; T242-A246 WeakPolarHBondContact CA-O 3.45Å
247T97.6Very high95.7Very high63 Ų6361.2 Ų61.239%0.38731%0.313SS..EExtended strand (participates in β ladder)trans-102.9119.3177.5-56.90000110V222 T223 F224V222-T247 PolarHBondContact O-N 3.46Å; T223-T247 CarbonylContact C-O 3.44Å; T223-T247 VanDerWaalsContact CA-O 3.27Å; T223-T247 WeakPolarHBondContact CA-O 3.48Å; T223-T247 HydrophobicContact CG2-CG2 4.48Å; F224-T247 WeakPolarHBondContact CD1-O 3.28Å; F224-T247 PolarHBondContact N-O 2.9Å
248Y97.8Very high95.5Very high47 Ų4761.8 Ų61.818%0.18432%0.315CS..EExtended strand (participates in β ladder)trans-80.5141.7175173.4-108.8000112.1F224 L226 R234 R238F224-Y248 HydrophobicContact CD2-CD2 4.37Å; F224-Y248 AromaticContact CE2-CD2 3.79Å; F224-Y248 HydrophobicContact CE2-CD2 3.79Å; F224-Y248 AromaticContact CZ-CD2 3.93Å; F224-Y248 HydrophobicContact CZ-CD2 3.93Å; F224-Y248 HydrophobicContact CZ-CG 4.31Å; L226-Y248 HydrophobicContact CB-CE2 4.33Å; L226-Y248 HydrophobicContact CD1-CE2 4.09Å; L226-Y248 HydrophobicContact CG-CD2 4.4Å; L226-Y248 HydrophobicContact CG-CE2 3.98Å; R234-Y248 PolarHBondContact NH2-OH 2.98Å; R238-Y248 HydrophobicContact CG-CD1 4.15Å; R238-Y248 HydrophobicContact CG-CD2 4.15Å; R238-Y248 HydrophobicContact CG-CG 3.85Å
249R96.6Very high95.4Very high113 Ų11358 Ų5843%0.42630%0.301SS..EExtended strand (participates in β ladder)trans-129.6143168.1-65-67.1-171.3-145.80.9110.2T223 F224 V225T223-R249 HydrophobicContact CG2-CG 3.58Å; F224-R249 PolarHBondContact O-N 2.72Å; V225-R249 HydrophobicContact CG2-CB 4.04Å
250S93.6Very high95.4Very high57 Ų5753.6 Ų53.640%0.39928%0.278SS..SBendtrans-73.6-42.7176.451.40000112.1K268S250-K268 PolarHBondContact O-NZ 2.96Å
251N93.4Very high95.3Very high100 Ų10051.9 Ų51.954%0.53527%0.27SS..SBendtrans-112.2150.6-177.6-67.2-30.3000111.2V225V225-N251 WeakPolarHBondContact CG2-O 3.49Å
252W92.4Very high95.1Very high37 Ų3752.9 Ų52.914%0.1428%0.279CS..  trans-77.5123.7174.6-176.6-89.7000110.2V225 C256 L259 V272V225-W252 HydrophobicContact CB-CE3 4.34Å; V225-W252 HydrophobicContact CG2-CE3 4.02Å; W252-C256 HydrophobicContact CD2-CB 3.83Å; W252-C256 HydrophobicContact CE3-CB 3.53Å; W252-C256 HydrophobicContact CH2-CB 3.88Å; W252-C256 HydrophobicContact CZ2-CB 4.15Å; W252-C256 HydrophobicContact CZ3-CB 3.56Å; W252-L259 HydrophobicContact CE3-CB 4.29Å; W252-L259 HydrophobicContact CZ3-CB 3.89Å; W252-V272 HydrophobicContact CB-CG2 4.14Å; W252-V272 HydrophobicContact CD2-CB 4.3Å; W252-V272 HydrophobicContact CD2-CG1 4.03Å; W252-V272 HydrophobicContact CD2-CG2 3.28Å; W252-V272 HydrophobicContact CE3-CG1 4.05Å; W252-V272 HydrophobicContact CE3-CG2 3.63Å; W252-V272 HydrophobicContact CG-CG2 3.49Å; W252-V272 VanDerWaalsContact CG-CG2 3.49Å; W252-V272 HydrophobicContact CH2-CG1 3.5Å; W252-V272 HydrophobicContact CZ2-CB 4.46Å; W252-V272 HydrophobicContact CZ2-CG1 3.48Å; W252-V272 VanDerWaalsContact CZ2-CG1 3.48Å; W252-V272 HydrophobicContact CZ2-CG2 4.27Å; W252-V272 HydrophobicContact CZ3-CG1 3.79Å; W252-V272 HydrophobicContact CZ3-CG2 4.24Å
253D92.5Very high94.9Very high62 Ų6255.6 Ų55.633%0.33229%0.285SS..  trans-133.4-179.5176.865.822.4000110.8Q255 C256D253-Q255 PolarHBondContact O-N 3.26Å; D253-Q255 WeakPolarHBondContact OD1-CA 3.1Å; D253-Q255 WeakPolarHBondContact OD1-CB 3.34Å; D253-Q255 PolarHBondContact OD1-N 3.11Å; D253-C256 WeakPolarHBondContact O-CB 2.96Å; D253-C256 PolarHBondContact O-N 3.44Å; D253-C256 PolarHBondContact OD1-N 3.44Å; D253-C256 PolarHBondContact OD1-SG 3.25Å
254N91.3Very high94.5Very high165 Ų16552.7 Ų52.788%0.88228%0.279SS*.THydrogen-bonded Turntrans-71.2-7.6179.9-64.9-6.2000113.8
255Q91.9Very high94Very high134 Ų13457.8 Ų57.863%0.62631%0.307SS*.THydrogen-bonded Turntrans-93.3-13.8175.1-59.4-65.2-59.300111.5T223 D253T223-Q255 WeakPolarHBondContact CB-O 3.28Å; T223-Q255 WeakPolarHBondContact CG2-O 3.05Å; T223-Q255 PolarHBondContact OG1-O 2.95Å; D253-Q255 PolarHBondContact O-N 3.26Å; D253-Q255 WeakPolarHBondContact OD1-CA 3.1Å; D253-Q255 WeakPolarHBondContact OD1-CB 3.34Å; D253-Q255 PolarHBondContact OD1-N 3.11Å
256C94.1Very high93.6Very high11 Ų1157.6 Ų57.67%0.07430%0.301CS..  trans-73.6132.5176-65.10000110.7V225 W252 D253V225-C256 HydrophobicContact CG2-CB 4.33Å; V225-C256 VanDerWaalsContact CG2-SG 3.51Å; W252-C256 HydrophobicContact CD2-CB 3.83Å; W252-C256 HydrophobicContact CE3-CB 3.53Å; W252-C256 HydrophobicContact CH2-CB 3.88Å; W252-C256 HydrophobicContact CZ2-CB 4.15Å; W252-C256 HydrophobicContact CZ3-CB 3.56Å; D253-C256 WeakPolarHBondContact O-CB 2.96Å; D253-C256 PolarHBondContact O-N 3.44Å; D253-C256 PolarHBondContact OD1-N 3.44Å; D253-C256 PolarHBondContact OD1-SG 3.25Å
257T93.4Very high93.2Very high52 Ų5262.8 Ų62.832%0.31933%0.334SS..  trans-106.5-31.8178.153.10000111.8T223 L277T223-T257 PolarHBondContact N-OG1 2.93Å; T223-T257 PolarHBondContact O-N 2.97Å; T223-T257 PolarHBondContact O-OG1 3.22Å; T257-L277 PolarHBondContact O-N 2.86Å
258H95.1Very high92.8Very high13 Ų1362 Ų626%0.0633%0.326CS..EExtended strand (participates in β ladder)trans-132.4130.3-173.2-58.771.3000112.6V222 T223 F224 V225 I260 L277 V279 W283V222-H258 HydrophobicContact CG1-CB 4.36Å; T223-H258 PolarHBondContact O-N 3.47Å; T223-H258 VanDerWaalsContact O-N 3.09Å; F224-H258 CarbonylContact C-O 3.58Å; F224-H258 WeakPolarHBondContact CA-O 3.1Å; F224-H258 HydrophobicContact CB-CB 4.22Å; F224-H258 WeakPolarHBondContact CB-O 3.33Å; V225-H258 PolarHBondContact N-O 3.08Å; H258-I260 HydrophobicContact CB-CD1 4.4Å; H258-L277 CarbonylContact C-O 3.51Å; H258-L277 WeakPolarHBondContact CA-O 3.32Å; H258-L277 WeakPolarHBondContact NE2-CD1 3.27Å; H258-V279 HydrophobicContact CB-CG2 4.19Å; H258-W283 AromaticContact CD2-CH2 3.98Å; H258-W283 AromaticContact CD2-CZ3 3.95Å; H258-W283 AromaticContact NE2-CH2 3.95Å
259L95.8Very high92.6Very high0 Ų060.8 Ų60.80%032%0.321CS..EExtended strand (participates in β ladder)trans-100.1112166.7177.269.4000108.1V225 W252 C261 K268 V272 L277 I278 V279V225-L259 HydrophobicContact CB-CD1 4.04Å; V225-L259 HydrophobicContact CG1-CD1 4.13Å; W252-L259 HydrophobicContact CE3-CB 4.29Å; W252-L259 HydrophobicContact CZ3-CB 3.89Å; L259-C261 PolarHBondContact O-N 2.85Å; L259-K268 HydrophobicContact CD1-CB 4.32Å; L259-K268 HydrophobicContact CD2-CB 4.35Å; L259-V272 HydrophobicContact CB-CB 4.5Å; L259-V272 HydrophobicContact CB-CG1 4.02Å; L259-V272 HydrophobicContact CD2-CB 3.92Å; L259-V272 HydrophobicContact CD2-CG1 4.31Å; L259-V272 HydrophobicContact CD2-CG2 3.98Å; L259-L277 PolarHBondContact N-O 3.49Å; L259-I278 HydrophobicContact CD2-CG1 4.45Å; L259-I278 HydrophobicContact CD2-CG2 4.23Å; L259-I278 WeakPolarHBondContact O-CA 3.36Å; L259-V279 PolarHBondContact O-N 3.05Å
260I97.1Very high92.3Very high0 Ų062.1 Ų62.10%033%0.33CS..EExtended strand (participates in β ladder)trans-84.2115.8171.8-43.4-60.5000107.3F224 V225 L226 S227 F229 H258 V279 K281 W283 I284F224-I260 HydrophobicContact CB-CG1 4.21Å; F224-I260 HydrophobicContact CD2-CG1 3.79Å; F224-I260 HydrophobicContact CG-CG1 4.35Å; V225-I260 PolarHBondContact O-N 3.38Å; L226-I260 HydrophobicContact CD2-CB 3.68Å; L226-I260 HydrophobicContact CD2-CG1 4.04Å; L226-I260 HydrophobicContact CD2-CG2 4.12Å; S227-I260 PolarHBondContact N-O 3.33Å; F229-I260 HydrophobicContact CE2-CB 4.31Å; F229-I260 HydrophobicContact CE2-CG2 3.81Å; F229-I260 WeakPolarHBondContact CE2-O 3.46Å; F229-I260 HydrophobicContact CZ-CG2 3.99Å; H258-I260 HydrophobicContact CB-CD1 4.4Å; I260-V279 CarbonylContact C-O 3.58Å; I260-V279 WeakPolarHBondContact CA-O 3.16Å; I260-V279 HydrophobicContact CD1-CB 3.95Å; I260-V279 HydrophobicContact CD1-CG2 4.28Å; I260-K281 HydrophobicContact CG2-CB 4.37Å; I260-W283 HydrophobicContact CD1-CE3 4.23Å; I260-W283 HydrophobicContact CD1-CZ3 4.45Å; I260-I284 HydrophobicContact CB-CD1 4.45Å; I260-I284 HydrophobicContact CD1-CD1 3.75Å; I260-I284 HydrophobicContact CD1-CG1 4.38Å; I260-I284 HydrophobicContact CG1-CD1 3.62Å; I260-I284 HydrophobicContact CG2-CD1 4.14Å
261C95.4Very high92.1Very high1 Ų164.3 Ų64.31%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-117.5139.3-173.4-1460000110.8F229 L259 F263 T266 I278 V279 F301F229-C261 VanDerWaalsContact CZ-C 3.46Å; L259-C261 PolarHBondContact O-N 2.85Å; C261-F263 PolarHBondContact SG-O 3.25Å; C261-T266 PolarHBondContact SG-OG1 3.21Å; C261-T266 VanDerWaalsContact SG-OG1 3.34Å; C261-I278 HydrophobicContact CB-CG2 3.95Å; C261-V279 PolarHBondContact N-O 2.88Å; C261-F301 HydrophobicContact CB-CD2 4.28Å; C261-F301 HydrophobicContact CB-CE2 3.8Å; C261-F301 WeakPolarHBondContact O-CE2 3.18Å
262A94.3Very high92Very high23 Ų2359.5 Ų59.519%0.1931%0.308CS..SBendtrans-75.2-38.8174.900000112S227 G228 F229S227-A262 PolarHBondContact O-N 3.34Å; G228-A262 WeakPolarHBondContact O-CB 3.18Å; F229-A262 HydrophobicContact CD1-CB 3.69Å; F229-A262 VanDerWaalsContact CE1-CA 3.5Å; F229-A262 HydrophobicContact CE1-CB 3.39Å; F229-A262 HydrophobicContact CE2-CB 4.45Å; F229-A262 HydrophobicContact CG-CB 4.31Å; F229-A262 HydrophobicContact CZ-CB 3.82Å; F229-A262 VanDerWaalsContact CZ-N 3.34Å
263F92Very high91.8Very high128 Ų12862.6 Ų62.656%0.56132%0.322SS*.SBendtrans-144.6153.6-172-34.8-71.2000109.5G228 C261G228-F263 WeakPolarHBondContact O-CE2 3.46Å; C261-F263 PolarHBondContact SG-O 3.25Å
264P89.3Confident91.4Very high73 Ų7362.3 Ų62.347%0.47433%0.334SS..THydrogen-bonded Turntrans-64.9160.4172.529.9-33.4000110.7T266 Y269 F301P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.49Å; P264-Y269 HydrophobicContact CB-CE2 4.37Å; P264-F301 HydrophobicContact CB-CD1 4.26Å; P264-F301 HydrophobicContact CB-CE1 4.38Å
265N87.3Confident91.2Very high108 Ų10861.7 Ų61.758%0.57832%0.324SS*.THydrogen-bonded Turntrans65.117.7171.5-58.7-40000117.4
266T87.6Confident90.9Very high18 Ų1856 Ų5611%0.1130%0.301CS..  trans-60.8158.1166.269.90000111S227 C261 P264 K268 Y269 K270S227-T266 PolarHBondContact OG-OG1 2.86Å; C261-T266 PolarHBondContact SG-OG1 3.21Å; C261-T266 VanDerWaalsContact SG-OG1 3.34Å; P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.49Å; T266-K268 VanDerWaalsContact C-N 3.26Å; T266-K268 PolarHBondContact O-N 3.06Å; T266-Y269 WeakPolarHBondContact O-CA 3.34Å; T266-Y269 VanDerWaalsContact O-CB 3.22Å; T266-Y269 WeakPolarHBondContact O-CB 3.43Å; T266-Y269 PolarHBondContact O-N 2.94Å; T266-Y269 WeakPolarHBondContact OG1-CB 3.47Å; T266-Y269 PolarHBondContact OG1-N 2.97Å; T266-K270 PolarHBondContact O-N 3.01Å; T266-K270 VanDerWaalsContact O-N 3.11Å
267P88.6Confident90.9Very high113 Ų11356.4 Ų56.473%0.73430%0.302SS*.Hα-helixtrans-54.1-42.3176.9-28.936000113.1K270 Q271P267-K270 PolarHBondContact O-N 3.25Å; P267-Q271 PolarHBondContact O-N 3.37Å
268K90.1Very high90.9Very high47 Ų4754.1 Ų54.120%0.20429%0.288CS..Hα-helixtrans-67.4-36.1174-68.9-169.9176.6-176.60112.4V225 S250 L259 T266 K270 Q271 V272V225-K268 HydrophobicContact CG1-CD 4.27Å; S250-K268 PolarHBondContact O-NZ 2.96Å; L259-K268 HydrophobicContact CD1-CB 4.32Å; L259-K268 HydrophobicContact CD2-CB 4.35Å; T266-K268 VanDerWaalsContact C-N 3.26Å; T266-K268 PolarHBondContact O-N 3.06Å; K268-K270 VanDerWaalsContact C-N 3.34Å; K268-K270 PolarHBondContact O-N 3.11Å; K268-Q271 PolarHBondContact O-N 3.17Å; K268-V272 WeakPolarHBondContact O-CB 3.14Å; K268-V272 VanDerWaalsContact O-CG2 3.28Å; K268-V272 WeakPolarHBondContact O-CG2 3.25Å; K268-V272 PolarHBondContact O-N 3.22Å; K268-V272 VanDerWaalsContact O-N 3.08Å
269Y92.3Very high91Very high21 Ų2153.5 Ų53.58%0.08229%0.285CS..Hα-helixtrans-54.6-52174.5-178.7-74000110.7P264 T266 Q271 V272 F273 I278 F301P264-Y269 HydrophobicContact CB-CE2 4.37Å; T266-Y269 WeakPolarHBondContact O-CA 3.34Å; T266-Y269 VanDerWaalsContact O-CB 3.22Å; T266-Y269 WeakPolarHBondContact O-CB 3.43Å; T266-Y269 PolarHBondContact O-N 2.94Å; T266-Y269 WeakPolarHBondContact OG1-CB 3.47Å; T266-Y269 PolarHBondContact OG1-N 2.97Å; Y269-Q271 VanDerWaalsContact C-N 3.3Å; Y269-Q271 PolarHBondContact O-N 3.45Å; Y269-V272 PolarHBondContact O-N 2.86Å; Y269-F273 HydrophobicContact CD1-CD2 4.38Å; Y269-F273 AromaticContact CE1-CD2 3.54Å; Y269-F273 HydrophobicContact CE1-CD2 3.54Å; Y269-F273 HydrophobicContact CE1-CE2 4.08Å; Y269-F273 HydrophobicContact CE1-CG 4.43Å; Y269-F273 AromaticContact CZ-CD2 4Å; Y269-F273 PolarHBondContact O-N 3.4Å; Y269-I278 HydrophobicContact CD1-CD1 4.18Å; Y269-I278 HydrophobicContact CD2-CD1 3.86Å; Y269-I278 HydrophobicContact CD2-CG2 3.63Å; Y269-I278 HydrophobicContact CE1-CD1 4.12Å; Y269-I278 HydrophobicContact CE2-CB 4.34Å; Y269-I278 HydrophobicContact CE2-CD1 3.79Å; Y269-I278 HydrophobicContact CE2-CG2 3.68Å; Y269-I278 HydrophobicContact CG-CD1 4.02Å; Y269-F301 HydrophobicContact CE2-CB 3.81Å; Y269-F301 HydrophobicContact CE2-CG 4.07Å
270K90.9Very high91Very high142 Ų14257.3 Ų57.362%0.61730%0.302SS*.Hα-helixtrans-63.1-37.1-179-64.6-179.7-177.6178.20112.1T266 P267 K268 V272T266-K270 PolarHBondContact O-N 3.01Å; T266-K270 VanDerWaalsContact O-N 3.11Å; P267-K270 PolarHBondContact O-N 3.25Å; K268-K270 VanDerWaalsContact C-N 3.34Å; K268-K270 PolarHBondContact O-N 3.11Å; K270-V272 VanDerWaalsContact C-N 3.33Å; K270-V272 PolarHBondContact O-N 2.9Å
271Q90.4Very high91Very high102 Ų10260.2 Ų60.248%0.47732%0.315SS..Hα-helixtrans-64.4-36.1177.6-176.7-176.8-2.400113.1P267 K268 Y269 K275P267-Q271 PolarHBondContact O-N 3.37Å; K268-Q271 PolarHBondContact O-N 3.17Å; Y269-Q271 VanDerWaalsContact C-N 3.3Å; Y269-Q271 PolarHBondContact O-N 3.45Å; Q271-K275 PolarHBondContact O-NZ 2.96Å
272V90Very high91.1Very high0 Ų063.7 Ų63.70%033%0.331CS..Hα-helixtrans-93.8-17.8-174177.30000112.8W252 L259 K268 Y269 K270 G274 K275 G276 I278W252-V272 HydrophobicContact CB-CG2 4.14Å; W252-V272 HydrophobicContact CD2-CB 4.3Å; W252-V272 HydrophobicContact CD2-CG1 4.03Å; W252-V272 HydrophobicContact CD2-CG2 3.28Å; W252-V272 HydrophobicContact CE3-CG1 4.05Å; W252-V272 HydrophobicContact CE3-CG2 3.63Å; W252-V272 HydrophobicContact CG-CG2 3.49Å; W252-V272 VanDerWaalsContact CG-CG2 3.49Å; W252-V272 HydrophobicContact CH2-CG1 3.5Å; W252-V272 HydrophobicContact CZ2-CB 4.46Å; W252-V272 HydrophobicContact CZ2-CG1 3.48Å; W252-V272 VanDerWaalsContact CZ2-CG1 3.48Å; W252-V272 HydrophobicContact CZ2-CG2 4.27Å; W252-V272 HydrophobicContact CZ3-CG1 3.79Å; W252-V272 HydrophobicContact CZ3-CG2 4.24Å; L259-V272 HydrophobicContact CB-CB 4.5Å; L259-V272 HydrophobicContact CB-CG1 4.02Å; L259-V272 HydrophobicContact CD2-CB 3.92Å; L259-V272 HydrophobicContact CD2-CG1 4.31Å; L259-V272 HydrophobicContact CD2-CG2 3.98Å; K268-V272 WeakPolarHBondContact O-CB 3.14Å; K268-V272 VanDerWaalsContact O-CG2 3.28Å; K268-V272 WeakPolarHBondContact O-CG2 3.25Å; K268-V272 PolarHBondContact O-N 3.22Å; K268-V272 VanDerWaalsContact O-N 3.08Å; Y269-V272 PolarHBondContact O-N 2.86Å; K270-V272 VanDerWaalsContact C-N 3.33Å; K270-V272 PolarHBondContact O-N 2.9Å; V272-G274 PolarHBondContact O-N 3.3Å; V272-K275 WeakPolarHBondContact O-CB 3.39Å; V272-K275 PolarHBondContact O-N 2.86Å; V272-G276 PolarHBondContact O-N 3.19Å; V272-I278 HydrophobicContact CG1-CG1 4.17Å
273F88.2Confident91.2Very high101 Ų10162.6 Ų62.644%0.44332%0.322SS..THydrogen-bonded Turntrans-50.9123.3179.9-164.6-99.5000111.7Y269 K275 I278 D302Y269-F273 HydrophobicContact CD1-CD2 4.38Å; Y269-F273 AromaticContact CE1-CD2 3.54Å; Y269-F273 HydrophobicContact CE1-CD2 3.54Å; Y269-F273 HydrophobicContact CE1-CE2 4.08Å; Y269-F273 HydrophobicContact CE1-CG 4.43Å; Y269-F273 AromaticContact CZ-CD2 4Å; Y269-F273 PolarHBondContact O-N 3.4Å; F273-K275 VanDerWaalsContact C-N 3.27Å; F273-K275 PolarHBondContact O-N 3.38Å; F273-I278 HydrophobicContact CB-CD1 4.45Å; F273-I278 HydrophobicContact CD2-CD1 4.15Å; F273-D302 HydrophobicContact CE2-CB 4.02Å; F273-D302 WeakPolarHBondContact CE2-OD2 3.39Å; F273-D302 WeakPolarHBondContact CZ-OD2 3.34Å
274G84.8Confident91.5Very high56 Ų5656.6 Ų56.658%0.57730%0.295SS*.THydrogen-bonded Turntrans77.1-6.5-175.800000116.5V272V272-G274 PolarHBondContact O-N 3.3Å
275K86.7Confident91.8Very high153 Ų15355 Ų5567%0.66528%0.282SS*.THydrogen-bonded Turntrans-103.2-20.9179-61.1178.1-173.1162.20113.8Q271 V272 F273Q271-K275 PolarHBondContact O-NZ 2.96Å; V272-K275 WeakPolarHBondContact O-CB 3.39Å; V272-K275 PolarHBondContact O-N 2.86Å; F273-K275 VanDerWaalsContact C-N 3.27Å; F273-K275 PolarHBondContact O-N 3.38Å
276G86.4Confident92.3Very high15 Ų1552 Ų5216%0.15527%0.267CS..SBendtrans-161.6-177.7-178.200000112.6V272V272-G276 PolarHBondContact O-N 3.19Å
277L92.9Very high92.7Very high18 Ų1851.2 Ų51.29%0.09426%0.262CS..EExtended strand (participates in β ladder)trans-86.6121.1-175.9-63.9159.9000109.8T257 H258 L259 V279 L296 L300 G305 Y306T257-L277 PolarHBondContact O-N 2.86Å; H258-L277 CarbonylContact C-O 3.51Å; H258-L277 WeakPolarHBondContact CA-O 3.32Å; H258-L277 WeakPolarHBondContact NE2-CD1 3.27Å; L259-L277 PolarHBondContact N-O 3.49Å; L277-V279 HydrophobicContact CB-CG2 4.42Å; L277-L296 HydrophobicContact CB-CD2 4.44Å; L277-L296 HydrophobicContact CD1-CD2 3.67Å; L277-L296 HydrophobicContact CD2-CD2 4.16Å; L277-L296 HydrophobicContact CG-CD2 4.29Å; L277-L300 HydrophobicContact CB-CD2 4.11Å; L277-L300 HydrophobicContact CD2-CD1 4.36Å; L277-L300 HydrophobicContact CD2-CD2 4.13Å; L277-G305 WeakPolarHBondContact CD2-O 3.38Å; L277-Y306 HydrophobicContact CD2-CD2 4.21Å
278I94.6Very high93.1Very high5 Ų548.1 Ų48.13%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-100.9113.3177.3-50.2178.5000109L259 C261 Y269 V272 F273 L300 F301L259-I278 HydrophobicContact CD2-CG1 4.45Å; L259-I278 HydrophobicContact CD2-CG2 4.23Å; L259-I278 WeakPolarHBondContact O-CA 3.36Å; C261-I278 HydrophobicContact CB-CG2 3.95Å; Y269-I278 HydrophobicContact CD1-CD1 4.18Å; Y269-I278 HydrophobicContact CD2-CD1 3.86Å; Y269-I278 HydrophobicContact CD2-CG2 3.63Å; Y269-I278 HydrophobicContact CE1-CD1 4.12Å; Y269-I278 HydrophobicContact CE2-CB 4.34Å; Y269-I278 HydrophobicContact CE2-CD1 3.79Å; Y269-I278 HydrophobicContact CE2-CG2 3.68Å; Y269-I278 HydrophobicContact CG-CD1 4.02Å; V272-I278 HydrophobicContact CG1-CG1 4.17Å; F273-I278 HydrophobicContact CB-CD1 4.45Å; F273-I278 HydrophobicContact CD2-CD1 4.15Å; I278-L300 WeakPolarHBondContact O-CA 3.22Å; I278-L300 WeakPolarHBondContact O-CD2 3.45Å; I278-F301 HydrophobicContact CB-CB 4.46Å; I278-F301 HydrophobicContact CG2-CB 4.23Å; I278-F301 HydrophobicContact CG2-CD2 3.88Å; I278-F301 HydrophobicContact CG2-CG 4.4Å; I278-F301 PolarHBondContact O-N 3.23Å
279V95.7Very high93.4Very high0 Ų051.1 Ų51.10%026%0.255CS..EExtended strand (participates in β ladder)trans-118.6145.6-168.3-157.60000110.8H258 L259 I260 C261 L277 W283 L296 Y299 L300H258-V279 HydrophobicContact CB-CG2 4.19Å; L259-V279 PolarHBondContact O-N 3.05Å; I260-V279 CarbonylContact C-O 3.58Å; I260-V279 WeakPolarHBondContact CA-O 3.16Å; I260-V279 HydrophobicContact CD1-CB 3.95Å; I260-V279 HydrophobicContact CD1-CG2 4.28Å; C261-V279 PolarHBondContact N-O 2.88Å; L277-V279 HydrophobicContact CB-CG2 4.42Å; V279-W283 HydrophobicContact CG1-CB 3.62Å; V279-W283 HydrophobicContact CG1-CD2 4.03Å; V279-W283 HydrophobicContact CG1-CE3 3.94Å; V279-W283 HydrophobicContact CG1-CG 3.92Å; V279-L296 HydrophobicContact CB-CD1 4.5Å; V279-L296 HydrophobicContact CG1-CD1 3.76Å; V279-L296 HydrophobicContact CG2-CD1 3.83Å; V279-Y299 CarbonylContact C-O 3.57Å; V279-Y299 WeakPolarHBondContact CA-O 3.33Å; V279-L300 HydrophobicContact CG2-CD2 4.02Å
280K96.3Very high93.5Very high80 Ų8054.3 Ų54.335%0.34827%0.271SS..EExtended strand (participates in β ladder)trans-76156.7170.5-56.1170.6-179.7174.60111.4E282 W283 Y299 F301K280-E282 WeakPolarHBondContact CB-OE2 3.32Å; K280-E282 PolarHBondContact O-N 3.2Å; K280-W283 PolarHBondContact O-N 3.25Å; K280-Y299 WeakPolarHBondContact CG-O 3.41Å; K280-Y299 PolarHBondContact N-O 2.82Å; K280-F301 HydrophobicContact CB-CE2 4.11Å; K280-F301 HydrophobicContact CG-CD2 3.79Å; K280-F301 HydrophobicContact CG-CE1 4.18Å; K280-F301 HydrophobicContact CG-CE2 3.43Å; K280-F301 VanDerWaalsContact CG-CE2 3.43Å; K280-F301 HydrophobicContact CG-CG 4.35Å; K280-F301 HydrophobicContact CG-CZ 3.66Å
281K96.7Very high93.6Very high61 Ų6155 Ų5527%0.26527%0.274SS..THydrogen-bonded Turntrans-61.5-29.7-179.464.7175.7176.6-170.60113.5F229 M233 L237 I260 W283 I284 L285F229-K281 HydrophobicContact CE1-CB 3.85Å; F229-K281 HydrophobicContact CE1-CD 3.88Å; F229-K281 HydrophobicContact CE1-CG 4.26Å; F229-K281 HydrophobicContact CZ-CB 3.72Å; M233-K281 HydrophobicContact SD-CD 4.08Å; L237-K281 HydrophobicContact CD1-CB 3.94Å; L237-K281 HydrophobicContact CD2-CB 3.98Å; I260-K281 HydrophobicContact CG2-CB 4.37Å; K281-W283 PolarHBondContact O-N 3.35Å; K281-W283 VanDerWaalsContact O-N 3.12Å; K281-I284 PolarHBondContact O-N 3.3Å; K281-I284 VanDerWaalsContact O-N 3.1Å; K281-L285 HydrophobicContact CD-CD1 4.46Å; K281-L285 HydrophobicContact CG-CD1 4.4Å; K281-L285 PolarHBondContact O-N 3.26Å
282E97.3Very high93.7Very high73 Ų7355.5 Ų55.534%0.34127%0.271SS..Hα-helixtrans-58.5-28.2-176-67.669.5-150.100111K280 I284 L285 D286 Y299K280-E282 WeakPolarHBondContact CB-OE2 3.32Å; K280-E282 PolarHBondContact O-N 3.2Å; E282-I284 PolarHBondContact O-N 3.5Å; E282-L285 PolarHBondContact O-N 3.01Å; E282-D286 VanDerWaalsContact O-CB 3.29Å; E282-D286 WeakPolarHBondContact O-CB 3.22Å; E282-D286 PolarHBondContact O-N 3.12Å; E282-Y299 HydrophobicContact CB-CD1 3.86Å; E282-Y299 HydrophobicContact CB-CE1 3.83Å
283W97.2Very high93.9Very high1 Ų159.9 Ų59.90%0.00429%0.288CS..Hα-helixtrans-59.4-48176.4-175.355.6000112.7L219 V222 H258 I260 V279 K280 K281 L285 C287 M294 L296 Y299L219-W283 HydrophobicContact CD2-CH2 3.92Å; L219-W283 HydrophobicContact CD2-CZ2 3.81Å; V222-W283 HydrophobicContact CG1-CH2 4.17Å; V222-W283 HydrophobicContact CG1-CZ3 4.16Å; V222-W283 HydrophobicContact CG2-CH2 3.89Å; H258-W283 AromaticContact CD2-CH2 3.98Å; H258-W283 AromaticContact CD2-CZ3 3.95Å; H258-W283 AromaticContact NE2-CH2 3.95Å; I260-W283 HydrophobicContact CD1-CE3 4.23Å; I260-W283 HydrophobicContact CD1-CZ3 4.45Å; V279-W283 HydrophobicContact CG1-CB 3.62Å; V279-W283 HydrophobicContact CG1-CD2 4.03Å; V279-W283 HydrophobicContact CG1-CE3 3.94Å; V279-W283 HydrophobicContact CG1-CG 3.92Å; K280-W283 PolarHBondContact O-N 3.25Å; K281-W283 PolarHBondContact O-N 3.35Å; K281-W283 VanDerWaalsContact O-N 3.12Å; W283-L285 VanDerWaalsContact C-N 3.34Å; W283-C287 VanDerWaalsContact O-CB 3.3Å; W283-C287 WeakPolarHBondContact O-CB 3.4Å; W283-C287 PolarHBondContact O-N 3.47Å; W283-C287 PolarHBondContact O-SG 3.25Å; W283-M294 PolarHBondContact NE1-O 3Å; W283-L296 HydrophobicContact CD2-CD1 3.74Å; W283-L296 HydrophobicContact CE3-CD1 4.12Å; W283-L296 HydrophobicContact CG-CD1 4.22Å; W283-L296 HydrophobicContact CH2-CD1 4.07Å; W283-L296 HydrophobicContact CZ2-CD1 3.72Å; W283-L296 HydrophobicContact CZ3-CD1 4.26Å; W283-Y299 VanDerWaalsContact CA-CD1 3.48Å; W283-Y299 HydrophobicContact CB-CD1 3.79Å; W283-Y299 HydrophobicContact CB-CD2 4.1Å; W283-Y299 HydrophobicContact CB-CE1 4.45Å; W283-Y299 HydrophobicContact CB-CG 3.57Å; W283-Y299 AromaticContact CD1-CD2 3.5Å; W283-Y299 AromaticContact CD1-CE2 3.92Å; W283-Y299 AromaticContact CD1-CG 3.91Å; W283-Y299 HydrophobicContact CG-CD2 4.13Å; W283-Y299 HydrophobicContact CG-CG 4.08Å
284I97.4Very high94Very high1 Ų155.6 Ų55.61%0.00527%0.269CS..Hα-helixtrans-66.2-42.1177.9-71.4168.9000109.9L237 K240 A241 M244 I260 K281 E282 F288L237-I284 HydrophobicContact CD2-CB 4.28Å; L237-I284 HydrophobicContact CD2-CG2 4.18Å; K240-I284 HydrophobicContact CB-CG2 4Å; A241-I284 HydrophobicContact CB-CD1 3.94Å; A241-I284 HydrophobicContact CB-CG1 4.29Å; A241-I284 HydrophobicContact CB-CG2 4.05Å; M244-I284 HydrophobicContact CE-CG2 3.9Å; M244-I284 WeakPolarHBondContact CE-O 3.36Å; I260-I284 HydrophobicContact CB-CD1 4.45Å; I260-I284 HydrophobicContact CD1-CD1 3.75Å; I260-I284 HydrophobicContact CD1-CG1 4.38Å; I260-I284 HydrophobicContact CG1-CD1 3.62Å; I260-I284 HydrophobicContact CG2-CD1 4.14Å; K281-I284 PolarHBondContact O-N 3.3Å; K281-I284 VanDerWaalsContact O-N 3.1Å; E282-I284 PolarHBondContact O-N 3.5Å; I284-F288 VanDerWaalsContact O-CB 3.27Å; I284-F288 WeakPolarHBondContact O-CB 3.48Å; I284-F288 PolarHBondContact O-N 3.08Å
285L97.2Very high94.3Very high39 Ų3956.3 Ų56.320%0.20426%0.264CS..Hα-helixtrans-63.9-46.5-178.5-63.5176.5000111.4L237 K240 K281 E282 W283 F288 N289L237-L285 HydrophobicContact CD2-CD2 4.01Å; L237-L285 HydrophobicContact CD2-CG 4.15Å; K240-L285 HydrophobicContact CD-CD2 3.91Å; K281-L285 HydrophobicContact CD-CD1 4.46Å; K281-L285 HydrophobicContact CG-CD1 4.4Å; K281-L285 PolarHBondContact O-N 3.26Å; E282-L285 PolarHBondContact O-N 3.01Å; W283-L285 VanDerWaalsContact C-N 3.34Å; L285-F288 PolarHBondContact O-N 3.01Å; L285-N289 WeakPolarHBondContact O-CB 3.28Å; L285-N289 PolarHBondContact O-N 3.09Å; L285-N289 PolarHBondContact O-ND2 3.4Å
286D97.1Very high94.5Very high47 Ų4749.2 Ų49.225%0.25123%0.233SC..Hα-helixtrans-70.4-41.3-178.9-66.3-6.4000111E282 F288 N289 E290 M294 Y299E282-D286 VanDerWaalsContact O-CB 3.29Å; E282-D286 WeakPolarHBondContact O-CB 3.22Å; E282-D286 PolarHBondContact O-N 3.12Å; D286-F288 PolarHBondContact O-N 3.2Å; D286-N289 PolarHBondContact O-N 3.32Å; D286-E290 WeakPolarHBondContact O-CB 3.5Å; D286-E290 WeakPolarHBondContact O-CG 3.48Å; D286-E290 PolarHBondContact O-N 2.87Å; D286-M294 HydrophobicContact CB-CE 4.33Å; D286-M294 HydrophobicContact CB-CG 3.88Å; D286-Y299 HydrophobicContact CB-CE1 4.41Å; D286-Y299 WeakPolarHBondContact CB-OH 3.32Å; D286-Y299 WeakPolarHBondContact OD2-CE1 3.44Å; D286-Y299 VanDerWaalsContact OD2-CZ 3.28Å; D286-Y299 PolarHBondContact OD2-OH 3.31Å
287C96.6Very high94.6Very high0 Ų052.1 Ų52.10%025%0.245CC..Hα-helixtrans-56.6-41.6172.6-710000111.8M244 W283 K291 R292 M294M244-C287 HydrophobicContact CE-CB 4Å; M244-C287 VanDerWaalsContact SD-C 3.55Å; M244-C287 HydrophobicContact SD-CB 3.63Å; W283-C287 VanDerWaalsContact O-CB 3.3Å; W283-C287 WeakPolarHBondContact O-CB 3.4Å; W283-C287 PolarHBondContact O-N 3.47Å; W283-C287 PolarHBondContact O-SG 3.25Å; C287-K291 WeakPolarHBondContact O-CA 3.46Å; C287-K291 PolarHBondContact O-N 3.46Å; C287-K291 VanDerWaalsContact O-N 3.08Å; C287-R292 WeakPolarHBondContact CA-O 3.32Å; C287-R292 PolarHBondContact O-N 2.91Å; C287-M294 HydrophobicContact CB-CG 4.4Å; C287-M294 PolarHBondContact SG-N 2.96Å
288F96.6Very high94.6Very high49 Ų4960.8 Ų60.822%0.21528%0.276CS..Hα-helixtrans-70-45.6-179.3-171.4-88.2000112F215 K240 K243 M244 I284 L285 D286F215-F288 HydrophobicContact CE1-CD2 4.18Å; F215-F288 HydrophobicContact CE1-CE2 4.03Å; F215-F288 AromaticContact CZ-CD2 3.58Å; F215-F288 HydrophobicContact CZ-CD2 3.58Å; F215-F288 AromaticContact CZ-CE2 3.79Å; F215-F288 HydrophobicContact CZ-CE2 3.79Å; F215-F288 HydrophobicContact CZ-CG 4.21Å; K240-F288 HydrophobicContact CB-CB 4.5Å; K240-F288 HydrophobicContact CB-CD2 3.67Å; K240-F288 HydrophobicContact CB-CE2 4.09Å; K240-F288 HydrophobicContact CB-CG 4.13Å; K240-F288 HydrophobicContact CD-CD1 4.33Å; K240-F288 HydrophobicContact CD-CD2 4.49Å; K240-F288 HydrophobicContact CD-CG 4.23Å; K240-F288 HydrophobicContact CG-CD1 4.24Å; K240-F288 HydrophobicContact CG-CD2 3.7Å; K240-F288 HydrophobicContact CG-CE1 4.35Å; K240-F288 HydrophobicContact CG-CE2 3.82Å; K240-F288 HydrophobicContact CG-CG 3.93Å; K240-F288 HydrophobicContact CG-CZ 4.14Å; K243-F288 HydrophobicContact CB-CE2 4.44Å; K243-F288 HydrophobicContact CD-CE2 4.05Å; K243-F288 HydrophobicContact CD-CZ 4.43Å; M244-F288 HydrophobicContact CE-CB 3.89Å; M244-F288 HydrophobicContact CE-CD2 4.27Å; M244-F288 HydrophobicContact CG-CD2 4.24Å; M244-F288 VanDerWaalsContact SD-CA 3.55Å; M244-F288 HydrophobicContact SD-CB 3.95Å; M244-F288 HydrophobicContact SD-CD2 4.29Å; M244-F288 PolarHBondContact SD-N 2.84Å; M244-F288 VanDerWaalsContact SD-N 3.42Å; I284-F288 VanDerWaalsContact O-CB 3.27Å; I284-F288 WeakPolarHBondContact O-CB 3.48Å; I284-F288 PolarHBondContact O-N 3.08Å; L285-F288 PolarHBondContact O-N 3.01Å; D286-F288 PolarHBondContact O-N 3.2Å
289N96.2Very high94.5Very high110 Ų11061.7 Ų61.759%0.58828%0.279SS*.Hα-helixtrans-69-45.2-177.2-70.1-19000111.8L285 D286 K291L285-N289 WeakPolarHBondContact O-CB 3.28Å; L285-N289 PolarHBondContact O-N 3.09Å; L285-N289 PolarHBondContact O-ND2 3.4Å; D286-N289 PolarHBondContact O-N 3.32Å; N289-K291 VanDerWaalsContact C-N 3.3Å
290E94Very high94.4Very high88 Ų8862.5 Ų62.541%0.41128%0.283SS..Hα-helixtrans-83.3-8-178.5-61-170.7-169.600113.2D286 R292 M294D286-E290 WeakPolarHBondContact O-CB 3.5Å; D286-E290 WeakPolarHBondContact O-CG 3.48Å; D286-E290 PolarHBondContact O-N 2.87Å; E290-R292 HydrophobicContact CB-CG 3.92Å; E290-R292 PolarHBondContact O-N 3.29Å; E290-R292 IonicContact OE2-CZ 3.4Å; E290-R292 IonicContact OE2-NE 2.76Å; E290-R292 PolarHBondContact OE2-NE 3.28Å; E290-R292 IonicContact OE2-NH2 3.89Å; E290-R292 PolarHBondContact OE2-NH2 3.46Å; E290-M294 HydrophobicContact CB-SD 4.4Å; E290-M294 HydrophobicContact CG-SD 4.48Å; E290-M294 WeakPolarHBondContact OE1-CE 3.27Å; E290-M294 VanDerWaalsContact OE2-CE 3.3Å; E290-M294 WeakPolarHBondContact OE2-CE 3.39Å
291K93.3Very high94Very high156 Ų15661.3 Ų61.368%0.67828%0.279SS*.THydrogen-bonded Turntrans54.733.5-178.5-55.3179.1-178174.30113.5F215 C287 N289F215-K291 HydrophobicContact CD2-CB 4.02Å; F215-K291 HydrophobicContact CD2-CG 4.13Å; F215-K291 HydrophobicContact CE2-CB 4.12Å; F215-K291 HydrophobicContact CE2-CG 3.97Å; C287-K291 WeakPolarHBondContact O-CA 3.46Å; C287-K291 PolarHBondContact O-N 3.46Å; C287-K291 VanDerWaalsContact O-N 3.08Å; N289-K291 VanDerWaalsContact C-N 3.3Å
292R93Very high93.3Very high112 Ų11260.2 Ų60.242%0.42328%0.275SS..SBendtrans-142.5160.1176.267.4178.6179.1-172.7-2.4110.2C287 E290 M294C287-R292 WeakPolarHBondContact CA-O 3.32Å; C287-R292 PolarHBondContact O-N 2.91Å; E290-R292 HydrophobicContact CB-CG 3.92Å; E290-R292 PolarHBondContact O-N 3.29Å; E290-R292 IonicContact OE2-CZ 3.4Å; E290-R292 IonicContact OE2-NE 2.76Å; E290-R292 PolarHBondContact OE2-NE 3.28Å; E290-R292 IonicContact OE2-NH2 3.89Å; E290-R292 PolarHBondContact OE2-NH2 3.46Å; R292-M294 HydrophobicContact CG-SD 3.96Å; R292-M294 PolarHBondContact O-N 3.04Å
293R92.6Very high92.4Very high92 Ų9260.3 Ų60.335%0.34728%0.281SS..PPolyproline II helixtrans-77.1116.6175.3-176.2175.3176147.4-10.6109.3L218 L219 D310 D311L218-R293 WeakPolarHBondContact O-CD 3.2Å; L219-R293 HydrophobicContact CD2-CG 4.26Å; R293-D310 PolarHBondContact NH2-O 3.44Å; R293-D311 IonicContact CZ-OD1 3.63Å; R293-D311 IonicContact NE-OD1 3.64Å; R293-D311 PolarHBondContact NE-OD1 3.21Å; R293-D311 IonicContact NH2-OD1 2.99Å; R293-D311 PolarHBondContact NH2-OD1 2.98Å
294M92Very high91.1Very high12 Ų1264.7 Ų64.76%0.05931%0.308CS..PPolyproline II helixtrans-79142.7-179.8-62.1-57.6-78.900111.1W283 D286 C287 E290 R292 L296 Y299W283-M294 PolarHBondContact NE1-O 3Å; D286-M294 HydrophobicContact CB-CE 4.33Å; D286-M294 HydrophobicContact CB-CG 3.88Å; C287-M294 HydrophobicContact CB-CG 4.4Å; C287-M294 PolarHBondContact SG-N 2.96Å; E290-M294 HydrophobicContact CB-SD 4.4Å; E290-M294 HydrophobicContact CG-SD 4.48Å; E290-M294 WeakPolarHBondContact OE1-CE 3.27Å; E290-M294 VanDerWaalsContact OE2-CE 3.3Å; E290-M294 WeakPolarHBondContact OE2-CE 3.39Å; R292-M294 HydrophobicContact CG-SD 3.96Å; R292-M294 PolarHBondContact O-N 3.04Å; M294-L296 PolarHBondContact O-N 2.94Å; M294-Y299 HydrophobicContact CB-CE2 3.81Å; M294-Y299 WeakPolarHBondContact CE-OH 3.34Å
295P91.2Very high89.5Confident71 Ų7165.8 Ų65.846%0.46132%0.32SS..PPolyproline II helixtrans-58.3119176.5-2433.4000111.6L297 Y299P295-L297 VanDerWaalsContact C-N 3.3Å; P295-L297 PolarHBondContact O-N 3.48Å; P295-Y299 WeakPolarHBondContact O-CD2 3.48Å
296L89.9Confident88.1Confident3 Ų366.7 Ų66.72%0.01632%0.321CS..G310 helixtrans-62.1-35.9-168.8-17568000113.4L277 V279 W283 M294 R298 Y299 L300 Y306 D311L277-L296 HydrophobicContact CB-CD2 4.44Å; L277-L296 HydrophobicContact CD1-CD2 3.67Å; L277-L296 HydrophobicContact CD2-CD2 4.16Å; L277-L296 HydrophobicContact CG-CD2 4.29Å; V279-L296 HydrophobicContact CB-CD1 4.5Å; V279-L296 HydrophobicContact CG1-CD1 3.76Å; V279-L296 HydrophobicContact CG2-CD1 3.83Å; W283-L296 HydrophobicContact CD2-CD1 3.74Å; W283-L296 HydrophobicContact CE3-CD1 4.12Å; W283-L296 HydrophobicContact CG-CD1 4.22Å; W283-L296 HydrophobicContact CH2-CD1 4.07Å; W283-L296 HydrophobicContact CZ2-CD1 3.72Å; W283-L296 HydrophobicContact CZ3-CD1 4.26Å; M294-L296 PolarHBondContact O-N 2.94Å; L296-R298 PolarHBondContact O-N 3.03Å; L296-Y299 PolarHBondContact O-N 3.49Å; L296-L300 HydrophobicContact CD1-CD2 4.46Å; L296-L300 HydrophobicContact CD2-CD2 4.21Å; L296-L300 HydrophobicContact CG-CD2 4.08Å; L296-L300 HydrophobicContact CG-CG 4.21Å; L296-L300 PolarHBondContact O-N 3.06Å; L296-Y306 HydrophobicContact CB-CE2 4.39Å; L296-Y306 HydrophobicContact CD2-CD2 4.31Å; L296-Y306 HydrophobicContact CD2-CE2 4.33Å; L296-D311 WeakPolarHBondContact CB-OD2 3.38Å
297L89.3Confident86.6Confident76 Ų7672.2 Ų72.240%0.39834%0.343SS..G310 helixtrans-54-32.4-171.4-171.363.8000114P295 Y299 L300 T303 Y306P295-L297 VanDerWaalsContact C-N 3.3Å; P295-L297 PolarHBondContact O-N 3.48Å; L297-Y299 PolarHBondContact O-N 3.34Å; L297-L300 HydrophobicContact CD1-CD1 4.33Å; L297-T303 HydrophobicContact CD1-CG2 3.82Å; L297-Y306 HydrophobicContact CD1-CD1 3.96Å; L297-Y306 HydrophobicContact CD1-CE1 4.18Å; L297-Y306 HydrophobicContact CD1-CG 4.25Å
298R91.4Very high84.8Confident201 Ų20176.9 Ų76.976%0.75838%0.375SS*.G310 helixtrans-72.8-18.8-179.2-62.8-176.9-178.7-174.50.5113.5L296L296-R298 PolarHBondContact O-N 3.03Å
299Y94Very high82.8Confident24 Ų2477.9 Ų77.99%0.09440%0.399CS..G310 helixtrans-110-1-172.7-57.9-89.1000113.1V279 K280 E282 W283 D286 M294 P295 L296 L297V279-Y299 CarbonylContact C-O 3.57Å; V279-Y299 WeakPolarHBondContact CA-O 3.33Å; K280-Y299 WeakPolarHBondContact CG-O 3.41Å; K280-Y299 PolarHBondContact N-O 2.82Å; E282-Y299 HydrophobicContact CB-CD1 3.86Å; E282-Y299 HydrophobicContact CB-CE1 3.83Å; W283-Y299 VanDerWaalsContact CA-CD1 3.48Å; W283-Y299 HydrophobicContact CB-CD1 3.79Å; W283-Y299 HydrophobicContact CB-CD2 4.1Å; W283-Y299 HydrophobicContact CB-CE1 4.45Å; W283-Y299 HydrophobicContact CB-CG 3.57Å; W283-Y299 AromaticContact CD1-CD2 3.5Å; W283-Y299 AromaticContact CD1-CE2 3.92Å; W283-Y299 AromaticContact CD1-CG 3.91Å; W283-Y299 HydrophobicContact CG-CD2 4.13Å; W283-Y299 HydrophobicContact CG-CG 4.08Å; D286-Y299 HydrophobicContact CB-CE1 4.41Å; D286-Y299 WeakPolarHBondContact CB-OH 3.32Å; D286-Y299 WeakPolarHBondContact OD2-CE1 3.44Å; D286-Y299 VanDerWaalsContact OD2-CZ 3.28Å; D286-Y299 PolarHBondContact OD2-OH 3.31Å; M294-Y299 HydrophobicContact CB-CE2 3.81Å; M294-Y299 WeakPolarHBondContact CE-OH 3.34Å; P295-Y299 WeakPolarHBondContact O-CD2 3.48Å; L296-Y299 PolarHBondContact O-N 3.49Å; L297-Y299 PolarHBondContact O-N 3.34Å
300L92.8Very high80.6Confident16 Ų1677.6 Ų77.68%0.08440%0.398CS..BIsolated β-bridgetrans-71.8142.4177.2-68.6173.9000111.2L277 I278 V279 L296 L297 Y306L277-L300 HydrophobicContact CB-CD2 4.11Å; L277-L300 HydrophobicContact CD2-CD1 4.36Å; L277-L300 HydrophobicContact CD2-CD2 4.13Å; I278-L300 WeakPolarHBondContact O-CA 3.22Å; I278-L300 WeakPolarHBondContact O-CD2 3.45Å; V279-L300 HydrophobicContact CG2-CD2 4.02Å; L296-L300 HydrophobicContact CD1-CD2 4.46Å; L296-L300 HydrophobicContact CD2-CD2 4.21Å; L296-L300 HydrophobicContact CG-CD2 4.08Å; L296-L300 HydrophobicContact CG-CG 4.21Å; L296-L300 PolarHBondContact O-N 3.06Å; L297-L300 HydrophobicContact CD1-CD1 4.33Å; L300-Y306 HydrophobicContact CD1-CD2 3.84Å; L300-Y306 HydrophobicContact CD1-CG 4.05Å
301F88.2Confident78.6Confident56 Ų5675.3 Ų75.325%0.24639%0.388CS..SBendtrans-74.2-35.1164.3-81.9-82.7000111.3C261 P264 Y269 I278 K280C261-F301 HydrophobicContact CB-CD2 4.28Å; C261-F301 HydrophobicContact CB-CE2 3.8Å; C261-F301 WeakPolarHBondContact O-CE2 3.18Å; P264-F301 HydrophobicContact CB-CD1 4.26Å; P264-F301 HydrophobicContact CB-CE1 4.38Å; Y269-F301 HydrophobicContact CE2-CB 3.81Å; Y269-F301 HydrophobicContact CE2-CG 4.07Å; I278-F301 HydrophobicContact CB-CB 4.46Å; I278-F301 HydrophobicContact CG2-CB 4.23Å; I278-F301 HydrophobicContact CG2-CD2 3.88Å; I278-F301 HydrophobicContact CG2-CG 4.4Å; I278-F301 PolarHBondContact O-N 3.23Å; K280-F301 HydrophobicContact CB-CE2 4.11Å; K280-F301 HydrophobicContact CG-CD2 3.79Å; K280-F301 HydrophobicContact CG-CE1 4.18Å; K280-F301 HydrophobicContact CG-CE2 3.43Å; K280-F301 VanDerWaalsContact CG-CE2 3.43Å; K280-F301 HydrophobicContact CG-CG 4.35Å; K280-F301 HydrophobicContact CG-CZ 3.66Å
302D80.9Confident76.1Confident37 Ų3776.9 Ų76.920%0.19840%0.398CS..  trans-145141.2179-17619.2000110.8F273 T304F273-D302 HydrophobicContact CE2-CB 4.02Å; F273-D302 WeakPolarHBondContact CE2-OD2 3.39Å; F273-D302 WeakPolarHBondContact CZ-OD2 3.34Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.39Å; D302-T304 PolarHBondContact OD1-N 3.3Å; D302-T304 WeakPolarHBondContact OD2-CB 3.42Å; D302-T304 WeakPolarHBondContact OD2-CG2 3.44Å; D302-T304 PolarHBondContact OD2-OG1 3.06Å
303T78.9Confident73.7Confident76 Ų7679.4 Ų79.447%0.46642%0.418SS..SBendtrans-89.7-6.3-178.255.10000113.3L297 G305 Y306L297-T303 HydrophobicContact CD1-CG2 3.82Å; T303-G305 PolarHBondContact O-N 3.29Å; T303-G305 VanDerWaalsContact O-N 3.16Å; T303-Y306 WeakPolarHBondContact O-CB 3.21Å; T303-Y306 PolarHBondContact O-N 2.97Å
304T70.7Confident71.1Confident93 Ų9381.3 Ų81.357%0.57144%0.435SS*.THydrogen-bonded Turntrans-56.9-30.6-176.855.90000114.2D302D302-T304 WeakPolarHBondContact OD1-CG2 3.39Å; D302-T304 PolarHBondContact OD1-N 3.3Å; D302-T304 WeakPolarHBondContact OD2-CB 3.42Å; D302-T304 WeakPolarHBondContact OD2-CG2 3.44Å; D302-T304 PolarHBondContact OD2-OG1 3.06Å
305G63.4Low68.6Low24 Ų2485 Ų8525%0.24746%0.463CS..THydrogen-bonded Turntrans-90.9-5177.500000115.2L277 T303L277-G305 WeakPolarHBondContact CD2-O 3.38Å; T303-G305 PolarHBondContact O-N 3.29Å; T303-G305 VanDerWaalsContact O-N 3.16Å
306Y68Low66Low57 Ų5788.4 Ų88.422%0.22448%0.477CS..  trans-81.8121.1-174.2-172.9-103.9000111.5L277 L296 L297 L300 T303L277-Y306 HydrophobicContact CD2-CD2 4.21Å; L296-Y306 HydrophobicContact CB-CE2 4.39Å; L296-Y306 HydrophobicContact CD2-CD2 4.31Å; L296-Y306 HydrophobicContact CD2-CE2 4.33Å; L297-Y306 HydrophobicContact CD1-CD1 3.96Å; L297-Y306 HydrophobicContact CD1-CE1 4.18Å; L297-Y306 HydrophobicContact CD1-CG 4.25Å; L300-Y306 HydrophobicContact CD1-CD2 3.84Å; L300-Y306 HydrophobicContact CD1-CG 4.05Å; T303-Y306 WeakPolarHBondContact O-CB 3.21Å; T303-Y306 PolarHBondContact O-N 2.97Å
307K64.9Low63.5Low163 Ų16395.9 Ų95.971%0.70951%0.512SS*.  trans-106.4128.3169.8-63.9-177.3-178.6177.60108G309K307-G309 PolarHBondContact O-N 3.08Å
308S58.5Low61Low98 Ų9897.4 Ų97.469%0.68553%0.526SS*.THydrogen-bonded Turntrans-61.77.9-175.9-65.20000116.2
309G54.9Low58.3Low70 Ų7093.6 Ų93.672%0.72253%0.53SS*.THydrogen-bonded Turntrans-95-6.9-175.200000116.2K307K307-G309 PolarHBondContact O-N 3.08Å
310D49.8Very low55.7Low104 Ų10497 Ų9756%0.55656%0.563SS**SBendtrans-102.3-4.1-163.7-68.2-29000115.9R293R293-D310 PolarHBondContact NH2-O 3.44Å
311D51.8Low53.1Low40 Ų40100.5 Ų100.521%0.21459%0.594CS.*  trans-143.970.8-175.7-63.7-57.8000113.8R293 L296R293-D311 IonicContact CZ-OD1 3.63Å; R293-D311 IonicContact NE-OD1 3.64Å; R293-D311 PolarHBondContact NE-OD1 3.21Å; R293-D311 IonicContact NH2-OD1 2.99Å; R293-D311 PolarHBondContact NH2-OD1 2.98Å; L296-D311 WeakPolarHBondContact CB-OD2 3.38Å
312E42.2Very low50.8Low190 Ų190106.8 Ų106.889%0.88862%0.624SS**  trans-134.886155.7-81.4-159.7156.900110.2
313I42.9Very low49.1Very low165 Ų165110.5 Ų110.585%0.84665%0.651SS**  trans-125.3103.9154.4-64.1-179.9000107.5
314D36.3Very low47.1Very low131 Ų131112.5 Ų112.570%0.70167%0.668SS**  trans-39.6141171.3-16819.8000114.4
315S40.4Very low45.6Very low91 Ų91114.3 Ų114.364%0.63668%0.679SS**  trans-150.987.6169.1-61.30000108.2H317S315-H317 PolarHBondContact O-N 3.21Å
316D35.9Very low44.5Very low142 Ų142119 Ų11976%0.75971%0.707SS**  trans-19.6118.8163.9-71.4-54.6000114.8P318D316-P318 WeakPolarHBondContact O-CD 3.23Å
317H37.9Very low43.4Very low160 Ų160121.9 Ų121.974%0.74174%0.736SS**PPolyproline II helixtrans-85.8118.8167.8-151-62.2000108.7S315 S319S315-H317 PolarHBondContact O-N 3.21Å; H317-S319 PolarHBondContact O-N 3.49Å
318P37.1Very low42.3Very low108 Ų108119.1 Ų119.170%0.70174%0.737SS**PPolyproline II helixtrans-73.7122.5164.327.5-25.2000108.1D316 A320D316-P318 WeakPolarHBondContact O-CD 3.23Å; P318-A320 PolarHBondContact O-N 3.01Å
319S34Very low41.6Very low120 Ų120119.4 Ų119.484%0.83974%0.739SS**PPolyproline II helixtrans-61.2116.3167-178.70000109.1H317H317-S319 PolarHBondContact O-N 3.49Å
320A40.8Very low41.3Very low96 Ų96124 Ų12479%0.79375%0.746SS**  trans-105.1112.4168.400000108.5P318P318-A320 PolarHBondContact O-N 3.01Å
321A37.7Very low41.1Very low89 Ų89127.4 Ų127.474%0.73676%0.76SS**PPolyproline II helixtrans-55.3139.3-179.200000113.2
322Q40.6Very low40.8Very low188 Ų188130.3 Ų130.388%0.87978%0.781SS**PPolyproline II helixtrans-76.4130.2157.8-67.5-160.2-37.800109.2
323P43.4Very low40.7Very low116 Ų116127.1 Ų127.175%0.75378%0.775SS**PPolyproline II helixtrans-87.9121.6162.6116.5000109.4
324S37.2Very low40.6Very low118 Ų118124.5 Ų124.583%0.82577%0.767SS**PPolyproline II helixtrans-66.9124.9159.241.40000109.7
325T40.1Very low41Very low131 Ų131128.2 Ų128.280%0.80478%0.777SS**  trans-132.4101.3160.848.90000109.4
326S40.9Very low41.2Very low121 Ų121132 Ų13285%0.84679%0.785SS**  trans-62.5124.1156.848.10000109.5
327S43.9Very low41.5Very low118 Ų118136.3 Ų136.383%0.82579%0.791SS**  trans-157.6122144.7-149.10000111.3
328S41.8Very low41.6Very low105 Ų105134.5 Ų134.573%0.73479%0.791SS**  trans-63.3141.517348.70000112.7
329S44.7Very low42Very low104 Ų104133.3 Ų133.373%0.72779%0.79SS**  trans-173.8115.5137.830.20000113.8
330I48.1Very low42.4Very low168 Ų168134.4 Ų134.486%0.86279%0.786SS**  68.7105.7128.1-52.9167.7000118.5
331M45.5Very low42.7Very low174 Ų174135.6 Ų135.686%0.85778%0.779SS**  trans-75.4177.7152.7-70-88-147.700110.2
332P45.4Very low43.2Very low101 Ų101139.6 Ų139.666%0.65678%0.782SS**  cis-147.8-164.116.833.5-7.1000116
333T40.1Very low43.1Very low124 Ų124136.9 Ų136.976%0.76178%0.781SS**  trans76.2138.8155.754.40000117.6
334T40.2Very low43.3Very low109 Ų109136.5 Ų136.567%0.66979%0.787SS**  cis-176.3139.62.5-85.50000105.2
335F46Very low43.4Very low209 Ų209139.9 Ų139.992%0.91779%0.79SS**  trans-169.2123.1134.9-124.9-93.8000112
336E43.5Very low43.6Very low171 Ų171142.5 Ų142.580%0.79979%0.793SS**  trans-73.4157.9174-59.4173.312800111.5
337R41.9Very low43.7Very low233 Ų233141.6 Ų141.688%0.87979%0.787SS**  174.7108108.3-151.1164.3-157.5-175.45.1113.4
338T41.5Very low43.7Very low121 Ų121143.2 Ų143.274%0.74279%0.792SS**  56.8107.2128.5-32.50000122.6
339A44.5Very low43.8Very low83 Ų83143.1 Ų143.169%0.68680%0.798SS**  26.3138.5126.700000123.2
340N43Very low43.8Very low143 Ų143144 Ų14477%0.76580%0.804SS**  127130.5113.7-112.57.7000118.4
341L45.8Very low43.5Very low121 Ų121141.6 Ų141.663%0.63480%0.802SS**  trans87.6109.8139.4-65.9155.7000122.5
342Q48.3Very low43.3Very low174 Ų174143.4 Ų143.481%0.81381%0.805SS**  76.1141.8128.5-75.7170.9-6.500123.3
343P40.3Very low43.1Very low131 Ų131141.9 Ų141.985%0.85180%0.802SS**  trans-106.2154.8171.739.6-29.4000114
344A46.2Very low43Very low107 Ų107144.7 Ų144.788%0.88481%0.806SS**  trans-152.5155.9166.800000111.9
345Q40.4Very low43Very low190 Ų190144.3 Ų144.389%0.88881%0.814SS**  trans-89.2160.4-164.2-59.6162-74.900114
346E43.4Very low42.5Very low185 Ų185140.4 Ų140.486%0.86481%0.807SS**  trans177.5102.6144.9-101.7169.5179.300108
347S43.6Very low42.4Very low103 Ų103139.2 Ų139.272%0.7281%0.807SS**  57.1111.387.173.10000116.3
348T43.7Very low42.5Very low151 Ų151132.2 Ų132.293%0.92679%0.794SS**  trans-161.8131.2133.945.90000110.3
349A42.7Very low42.1Very low103 Ų103134.7 Ų134.785%0.85180%0.802SS**  trans-92.6152.7-179.300000112.3
350S45.2Very low41.7Very low122 Ų122133.7 Ų133.785%0.85380%0.8SS**  trans-165.4119.1137.965.60000111.1
351S41.7Very low41.4Very low118 Ų118133.5 Ų133.583%0.82580%0.804SS**  trans-71.4145.2168.451.80000112.3
352F42.9Very low41.1Very low212 Ų212135 Ų13593%0.9381%0.813SS**  trans-143.6132.9147.9-166.2-108.4000110
353A40.9Very low41Very low70 Ų70132.6 Ų132.658%0.57982%0.815SS**  trans-95.6146.9-169.800000112.2
354E36.3Very low41.3Very low182 Ų182133 Ų13385%0.8581%0.81SS**  trans41.4116.8130-156162.1-166.100120.3
355A41.6Very low41.3Very low102 Ų102135.2 Ų135.284%0.84381%0.807SS**  trans-157127.5140.400000110.7
356T35.5Very low42.1Very low126 Ų126132.9 Ų132.977%0.77380%0.799SS**  trans-64.5153.9170.148.30000112.9
357D40.4Very low42.7Very low147 Ų147133.7 Ų133.779%0.78680%0.796SS**  154143.4112.2-161.114.9000113.8
358S44Very low43Very low86 Ų86135.1 Ų135.160%0.60180%0.795SS**  trans77.9111.3146.268.30000122
359N34.5Very low43.1Very low173 Ų173138 Ų13893%0.92579%0.789SS**  45.1129.2123.8-78.3-17.4000120.9
360G35.4Very low43.3Very low62 Ų62138.7 Ų138.764%0.63978%0.783SS**  trans138.8108.5131.100000116.1
361T37.4Very low43.6Very low138 Ų138137.8 Ų137.885%0.84777%0.772SS**  trans67.7126.513436.30000120.9
362D39Very low44Very low154 Ų154136.7 Ų136.782%0.82476%0.757SS**  trans46.2108.1147.2-79.3-24.9000118.3
363S46.3Very low44.3Very low122 Ų122134 Ų13485%0.85375%0.753SS**  trans-139.8103.2153.5-1620000110.8
364D45.6Very low44.5Very low139 Ų139139.9 Ų139.974%0.74377%0.768SS**  trans-30.4131.3170.7-63.5-61.4000116.1I366D364-I366 VanDerWaalsContact C-N 3.34Å; D364-I366 PolarHBondContact O-N 3.44Å
365D47.8Very low45.3Very low154 Ų154135.3 Ų135.382%0.82476%0.757SS**  trans-57.288.2167.4-87.5-45.1000111.5Y367D365-Y367 PolarHBondContact O-N 2.61Å
366I55.5Low45.7Very low141 Ų141136.6 Ų136.672%0.72376%0.756SS**THydrogen-bonded Turntrans-62.3-11.7177.6-106.2171.1000113.9D364D364-I366 VanDerWaalsContact C-N 3.34Å; D364-I366 PolarHBondContact O-N 3.44Å
367Y56.1Low46.1Very low203 Ų203136.9 Ų136.980%0.79676%0.758SS**THydrogen-bonded Turntrans-98.87.6-169-76.1-79.7000115.6D365D365-Y367 PolarHBondContact O-N 2.61Å
368N50Low46.7Very low133 Ų133134.6 Ų134.671%0.71176%0.759SS**  trans-109.919.9-179.4-152.127.9000115.1T370N368-T370 PolarHBondContact O-N 2.93Å
369R46Very low46.4Very low211 Ų211135.9 Ų135.980%0.79677%0.769SS**  trans-80.3104.5177.5-157.9177.7-178.8169.1-0.2111T371R369-T371 VanDerWaalsContact C-N 3.33Å; R369-T371 HydrophobicContact CG-CG2 4.19Å; R369-T371 PolarHBondContact O-N 3.43Å
370T46.5Very low46.7Very low117 Ų117139 Ų13972%0.71879%0.785SS**  trans-65.789.9164.4-530000108.8N368N368-T370 PolarHBondContact O-N 2.93Å
371T51.6Low47.3Very low103 Ų103142.9 Ų142.963%0.63279%0.793SS**  trans-98.589.1165.439.50000108.1R369R369-T371 VanDerWaalsContact C-N 3.33Å; R369-T371 HydrophobicContact CG-CG2 4.19Å; R369-T371 PolarHBondContact O-N 3.43Å
372D49.8Very low47.8Very low95 Ų95143.2 Ų143.251%0.50879%0.79SS.*  trans-150.374.5164.2-80.7-44.3000106.7
373D49.4Very low48.3Very low156 Ų156142.6 Ų142.683%0.83479%0.788SS**  trans-122.584.2159.6-157.1-61.4000106.2
374E46.8Very low48.4Very low193 Ų193143.8 Ų143.890%0.90278%0.784SS**  trans-141.892.3164.6-146.8-176.1133.200107
375S51.3Low48.6Very low87 Ų87144.1 Ų144.161%0.60879%0.787SS**  trans-70.6137.1170.1-57.40000108.6T377S375-T377 PolarHBondContact O-N 3.2Å; S375-T377 VanDerWaalsContact O-N 3.08Å
376P51.8Low48.6Very low129 Ų129143.4 Ų143.484%0.83878%0.784SS**  trans-72109.3172.529.1-29.4000108.2A378P376-A378 PolarHBondContact O-N 2.63Å; P376-A378 VanDerWaalsContact O-N 3.09Å
377T43.6Very low48.1Very low131 Ų131143.6 Ų143.680%0.80479%0.789SS**  trans-63.3108.5162.946.30000107.9S375 S379S375-T377 PolarHBondContact O-N 3.2Å; S375-T377 VanDerWaalsContact O-N 3.08Å; T377-S379 PolarHBondContact O-N 3.36Å
378A52.8Low47.5Very low99 Ų99139 Ų13982%0.81879%0.788SS**  trans-66.4118.6169.100000109P376P376-A378 PolarHBondContact O-N 2.63Å; P376-A378 VanDerWaalsContact O-N 3.09Å
379S37.8Very low47.3Very low114 Ų114139.5 Ų139.580%0.79779%0.794SS**  trans-85.5106.4162.9-56.60000108.9T377T377-S379 PolarHBondContact O-N 3.36Å
380N40.4Very low47.4Very low239 Ų239133 Ų133100%1.27879%0.794SS**  trans-179.60135.3-104.91.9000110.6

Retrieved 380 of 380 residues in 462.3 ms (Link to these results)

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