A0A087YIT1_POEFO Loading...

Vacuolar protein-sorting-associated protein 36

Component of the ESCRT-II complex (endosomal sorting complex required for transport II), which is required for multivesicular body (MVB) formation and sorting of endosomal cargo proteins into MVBs.

AlphaFold DB , UniProt , Accession A0A087YIT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 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
1M87.8Confident86.3Confident0 Ų046.8 Ų46.80%024%0.235CC..  0-22.10-85.2-65.4-75.700113.6R3 F4 L26 D28 A33 L35 M59 Y98 S101 I106M1-R3 PolarHBondContact O-N 3.48Å; M1-F4 HydrophobicContact CE-CD2 4.09Å; M1-F4 HydrophobicContact CE-CE2 4.37Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 HydrophobicContact SD-CD2 3.74Å; M1-F4 HydrophobicContact SD-CE2 3.7Å; M1-L26 HydrophobicContact CE-CB 4.09Å; M1-L26 HydrophobicContact CE-CD1 3.71Å; M1-L26 HydrophobicContact SD-CB 4.42Å; M1-L26 HydrophobicContact SD-CD1 4.42Å; M1-D28 WeakPolarHBondContact CA-OD1 3.34Å; M1-D28 HydrophobicContact CB-CB 3.81Å; M1-D28 VanDerWaalsContact CB-CG 3.45Å; M1-D28 VanDerWaalsContact CB-OD1 3.26Å; M1-D28 WeakPolarHBondContact CB-OD1 3.25Å; M1-D28 VanDerWaalsContact CG-CA 3.47Å; M1-D28 HydrophobicContact CG-CB 3.37Å; M1-D28 WeakPolarHBondContact CG-OD1 3.45Å; M1-D28 PolarHBondContact N-OD1 3.06Å; M1-A33 HydrophobicContact CE-CB 4.45Å; M1-L35 HydrophobicContact CE-CD1 4.18Å; M1-M59 HydrophobicContact CE-SD 4.33Å; M1-Y98 HydrophobicContact CB-CD1 4.34Å; M1-Y98 HydrophobicContact CB-CD2 3.81Å; M1-Y98 HydrophobicContact CB-CE2 4.33Å; M1-Y98 HydrophobicContact CB-CG 3.84Å; M1-Y98 HydrophobicContact CE-CD2 3.99Å; M1-Y98 HydrophobicContact CE-CE2 3.73Å; M1-S101 PolarHBondContact N-OG 2.7Å; M1-I106 HydrophobicContact CG-CG2 3.86Å; M1-I106 HydrophobicContact SD-CB 4.28Å; M1-I106 HydrophobicContact SD-CG2 3.68Å
2D88.1Confident85.9Confident7 Ų751.9 Ų51.94%0.03726%0.258CS..THydrogen-bonded Turntrans-59.60.8172.361.9-31.6000115.8S89 K93 Y98 S101D2-S89 PolarHBondContact O-OG 3.11Å; D2-K93 WeakPolarHBondContact O-CD 3.36Å; D2-K93 WeakPolarHBondContact O-CE 3.44Å; D2-K93 PolarHBondContact O-NZ 3.27Å; D2-Y98 WeakPolarHBondContact CA-O 3.27Å; D2-S101 WeakPolarHBondContact OD1-CB 3.47Å
3R91.5Very high84.8Confident24 Ų2459.8 Ų59.89%0.09130%0.299CS..THydrogen-bonded Turntrans-91.9-9172.6-67.592-152.8-17418.3114M1 M61 L86 H87 K93 Y103M1-R3 PolarHBondContact O-N 3.48Å; R3-M61 HydrophobicContact CB-CG 4.08Å; R3-M61 HydrophobicContact CB-SD 3.72Å; R3-M61 WeakPolarHBondContact O-CG 3.37Å; R3-L86 HydrophobicContact CB-CD1 4.22Å; R3-L86 HydrophobicContact CG-CD1 4.41Å; R3-H87 PolarHBondContact NE-O 2.94Å; R3-K93 VanDerWaalsContact C-CE 3.44Å; R3-K93 VanDerWaalsContact O-CE 3.28Å; R3-K93 WeakPolarHBondContact O-CE 3.4Å; R3-Y103 PolarHBondContact NH1-O 2.85Å
4F91.1Very high84.5Confident0 Ų063.3 Ų63.30%032%0.319CS..PPolyproline II helixtrans-84131.3172.7-78.4-86.3000112.1M1 L47 M59 A60 M61 K93 G96 I106M1-F4 HydrophobicContact CE-CD2 4.09Å; M1-F4 HydrophobicContact CE-CE2 4.37Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 HydrophobicContact SD-CD2 3.74Å; M1-F4 HydrophobicContact SD-CE2 3.7Å; F4-L47 HydrophobicContact CZ-CD2 4.17Å; F4-M59 HydrophobicContact CB-CB 4.21Å; F4-M59 HydrophobicContact CB-CG 4.34Å; F4-M59 HydrophobicContact CB-SD 4.36Å; F4-M59 HydrophobicContact CD1-CB 4.17Å; F4-M59 HydrophobicContact CD1-CG 3.79Å; F4-M59 HydrophobicContact CD1-SD 4.44Å; F4-M59 HydrophobicContact CE1-CG 4.44Å; F4-M59 HydrophobicContact CG-CG 4.24Å; F4-M59 HydrophobicContact CG-SD 4.37Å; F4-A60 CarbonylContact C-O 3.52Å; F4-A60 WeakPolarHBondContact CA-O 3.48Å; F4-M61 HydrophobicContact CD1-CB 3.79Å; F4-M61 HydrophobicContact CE1-CB 3.83Å; F4-M61 HydrophobicContact CG-CB 4.15Å; F4-M61 HydrophobicContact CZ-CB 4.24Å; F4-K93 VanDerWaalsContact C-NZ 3.31Å; F4-K93 VanDerWaalsContact O-CE 3.29Å; F4-K93 WeakPolarHBondContact O-CE 3.34Å; F4-K93 PolarHBondContact O-NZ 3.45Å; F4-G96 WeakPolarHBondContact O-CA 3.34Å; F4-I106 HydrophobicContact CE2-CD1 3.49Å; F4-I106 VanDerWaalsContact CE2-CD1 3.49Å; F4-I106 HydrophobicContact CZ-CD1 3.8Å
5S91.3Very high84.6Confident24 Ų2459.8 Ų59.817%0.16830%0.301CS..EExtended strand (participates in β ladder)trans-103.4157.9168.755.30000110.8M59 A60 P95S5-M59 CarbonylContact O-C 3.57Å; S5-M59 WeakPolarHBondContact O-CA 3.49Å; S5-M59 WeakPolarHBondContact O-CB 3.45Å; S5-A60 PolarHBondContact N-O 3.03Å; S5-A60 PolarHBondContact O-N 2.74Å; S5-A60 PolarHBondContact OG-O 3.14Å; S5-P95 WeakPolarHBondContact CA-O 3.41Å
6W90.3Very high85Confident126 Ų12660.9 Ų60.948%0.47731%0.312SS..EExtended strand (participates in β ladder)trans-60.8141169.4-67.9114.7000110.1M59 P95 P97W6-M59 HydrophobicContact CZ3-CE 4.33Å; W6-P95 VanDerWaalsContact CD1-O 3.3Å; W6-P95 PolarHBondContact N-O 3.44Å; W6-P97 HydrophobicContact CH2-CB 3.88Å; W6-P97 HydrophobicContact CH2-CG 4.31Å; W6-P97 HydrophobicContact CZ2-CB 3.67Å; W6-P97 HydrophobicContact CZ2-CG 4.27Å
7S85.9Confident85.5Confident19 Ų1962.1 Ų62.113%0.13332%0.319CS..  trans-139.1146.2-179178.30000109.4G9 C58S7-G9 PolarHBondContact O-N 3.22Å; S7-G9 PolarHBondContact OG-N 3.35Å; S7-G9 VanDerWaalsContact OG-N 3.08Å; S7-C58 PolarHBondContact N-O 3.03Å; S7-C58 WeakPolarHBondContact O-CB 3.49Å; S7-C58 VanDerWaalsContact O-O 3.1Å
8N81.3Confident86Confident121 Ų12160.2 Ų60.265%0.64731%0.31SS*.  trans-73.4-2169.562.211.2000112.4L10N8-L10 PolarHBondContact O-N 3.17Å; N8-L10 VanDerWaalsContact O-N 3.14Å; N8-L10 WeakPolarHBondContact OD1-CB 3.45Å; N8-L10 PolarHBondContact OD1-N 3.48Å
9G73.8Confident86.5Confident4 Ų458.4 Ų58.44%0.04130%0.301CS..SBendtrans72.11.6178.700000114.9S7 R50 C58S7-G9 PolarHBondContact O-N 3.22Å; S7-G9 PolarHBondContact OG-N 3.35Å; S7-G9 VanDerWaalsContact OG-N 3.08Å; G9-R50 PolarHBondContact O-NH2 3.44Å; G9-C58 WeakPolarHBondContact CA-SG 3.49Å; G9-C58 PolarHBondContact N-SG 3.31Å
10L82.7Confident86.9Confident116 Ų11661 Ų6161%0.60731%0.312SS*.PPolyproline II helixtrans-80.1144.3173.3-58.1177.4000109.5N8 R46N8-L10 PolarHBondContact O-N 3.17Å; N8-L10 VanDerWaalsContact O-N 3.14Å; N8-L10 WeakPolarHBondContact OD1-CB 3.45Å; N8-L10 PolarHBondContact OD1-N 3.48Å; L10-R46 PolarHBondContact O-NH2 3.36Å
11L85.4Confident87.3Confident74 Ų7459.4 Ų59.439%0.38730%0.303SS..PPolyproline II helixtrans-74.4138.9174.4-56.6174.4000109.8E15 L17 I48L11-E15 VanDerWaalsContact CA-OE2 3.31Å; L11-E15 WeakPolarHBondContact CA-OE2 3.42Å; L11-E15 HydrophobicContact CB-CB 4.29Å; L11-E15 HydrophobicContact CB-CG 4.34Å; L11-E15 HydrophobicContact CD2-CG 4.08Å; L11-L17 HydrophobicContact CD1-CB 3.95Å; L11-I48 HydrophobicContact CD2-CD1 4.18Å
12E82.1Confident87.5Confident108 Ų10867.3 Ų67.351%0.50533%0.333SS..PPolyproline II helixtrans-71.5167.2174.8-67.8174.3-158.100111.3N14 E15 R46E12-N14 PolarHBondContact O-N 3.29Å; E12-E15 HydrophobicContact CB-CB 4.1Å; E12-E15 PolarHBondContact N-OE2 2.87Å; E12-E15 WeakPolarHBondContact O-CB 3.32Å; E12-E15 PolarHBondContact O-N 3Å; E12-R46 IonicContact OE1-CZ 2.7Å; E12-R46 VanDerWaalsContact OE1-CZ 3.23Å; E12-R46 IonicContact OE1-NE 3.59Å; E12-R46 IonicContact OE1-NH1 2.85Å; E12-R46 PolarHBondContact OE1-NH1 2.89Å
13I70.9Confident87.8Confident154 Ų15467.2 Ų67.279%0.7933%0.333SS*.THydrogen-bonded Turntrans-65128176.9-61.2167.7000108.1E15I13-E15 VanDerWaalsContact C-N 3.27Å; I13-E15 PolarHBondContact O-N 2.95Å
14N80.8Confident87.9Confident109 Ų10966 Ų6658%0.58333%0.329SS*.THydrogen-bonded Turntrans72.66.1-171.7-48-40.4000115.8E12 H45E12-N14 PolarHBondContact O-N 3.29Å; N14-H45 PolarHBondContact O-CE1 2.9Å
15E86.8Confident88Confident11 Ų1167.7 Ų67.75%0.05134%0.335CS..  trans-93.4132.4171.2-174.7-177.7-15800110.3L11 E12 I13 S43 H45 R46L11-E15 VanDerWaalsContact CA-OE2 3.31Å; L11-E15 WeakPolarHBondContact CA-OE2 3.42Å; L11-E15 HydrophobicContact CB-CB 4.29Å; L11-E15 HydrophobicContact CB-CG 4.34Å; L11-E15 HydrophobicContact CD2-CG 4.08Å; E12-E15 HydrophobicContact CB-CB 4.1Å; E12-E15 PolarHBondContact N-OE2 2.87Å; E12-E15 WeakPolarHBondContact O-CB 3.32Å; E12-E15 PolarHBondContact O-N 3Å; I13-E15 VanDerWaalsContact C-N 3.27Å; I13-E15 PolarHBondContact O-N 2.95Å; E15-S43 VanDerWaalsContact CD-OG 3.3Å; E15-S43 WeakPolarHBondContact CG-OG 3.31Å; E15-S43 VanDerWaalsContact OE1-CB 3.29Å; E15-S43 WeakPolarHBondContact OE1-CB 3.44Å; E15-S43 PolarHBondContact OE1-OG 3.44Å; E15-H45 HydrophobicContact CG-CB 3.95Å; E15-R46 WeakPolarHBondContact OE1-CB 3.48Å; E15-R46 WeakPolarHBondContact OE1-CG 3.41Å; E15-R46 IonicContact OE1-CZ 3.23Å; E15-R46 IonicContact OE1-NE 3.24Å; E15-R46 PolarHBondContact OE1-NE 2.92Å; E15-R46 IonicContact OE1-NH2 2.73Å; E15-R46 IonicContact OE2-CZ 3.52Å; E15-R46 VanDerWaalsContact OE2-CZ 3.24Å; E15-R46 IonicContact OE2-NE 3.94Å; E15-R46 PolarHBondContact OE2-NE 2.73Å; E15-R46 VanDerWaalsContact OE2-NE 3.17Å; E15-R46 IonicContact OE2-NH2 3.56Å; E15-R46 PolarHBondContact OE2-NH2 3.25Å
16T89.8Confident88.2Confident78 Ų7866.6 Ų66.648%0.47933%0.327SS..  trans-122.6142.718053.90000110.6S43 T44T16-S43 CarbonylContact O-C 3.59Å; T16-S43 WeakPolarHBondContact O-CA 3.44Å; T16-S43 VanDerWaalsContact O-CB 3.23Å; T16-S43 WeakPolarHBondContact O-CB 3.27Å; T16-T44 PolarHBondContact N-OG1 3.5Å; T16-T44 PolarHBondContact O-N 3.33Å; T16-T44 WeakPolarHBondContact OG1-CG2 3.4Å; T16-T44 PolarHBondContact OG1-OG1 2.79Å
17L93.5Very high88.3Confident80 Ų8062.1 Ų62.142%0.41931%0.311SS..EExtended strand (participates in β ladder)trans-74129.2176.1-176.768.6000109.7L11 L41L11-L17 HydrophobicContact CD1-CB 3.95Å; L17-L41 HydrophobicContact CD1-CB 3.86Å; L17-L41 HydrophobicContact CD1-CD2 3.81Å; L17-L41 HydrophobicContact CD1-CG 4.36Å
18V94.2Very high88.7Confident28 Ų2862 Ų6217%0.1731%0.309CS..EExtended strand (participates in β ladder)trans-99.2-51-179.7178.10000110.3L42 T44 R121 E125V18-L42 WeakPolarHBondContact CA-O 3.36Å; V18-L42 HydrophobicContact CB-CD2 4.37Å; V18-L42 HydrophobicContact CB-CG 4.21Å; V18-L42 WeakPolarHBondContact CB-O 3.25Å; V18-L42 HydrophobicContact CG1-CD2 4.18Å; V18-L42 PolarHBondContact N-O 3.21Å; V18-T44 HydrophobicContact CG2-CG2 3.86Å; V18-R121 HydrophobicContact CG1-CB 4.01Å; V18-R121 HydrophobicContact CG1-CG 4.34Å; V18-E125 HydrophobicContact CB-CG 4.36Å; V18-E125 HydrophobicContact CG1-CG 4.07Å; V18-E125 HydrophobicContact CG2-CG 3.78Å; V18-E125 WeakPolarHBondContact CG2-OE1 3.33Å
19I95.6Very high89.1Confident26 Ų2656.3 Ų56.313%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-153.4150.6176.5-174.9162.7000111L41 L42 E117 F118 R121I19-L41 WeakPolarHBondContact O-CA 3.29Å; I19-L42 HydrophobicContact CG2-CB 3.7Å; I19-L42 HydrophobicContact CG2-CD2 4.05Å; I19-L42 HydrophobicContact CG2-CG 4.46Å; I19-L42 PolarHBondContact N-O 3.26Å; I19-L42 VanDerWaalsContact N-O 3.15Å; I19-L42 PolarHBondContact O-N 3.42Å; I19-E117 HydrophobicContact CD1-CB 4.37Å; I19-E117 HydrophobicContact CD1-CG 3.55Å; I19-F118 HydrophobicContact CG2-CD2 3.84Å; I19-F118 HydrophobicContact CG2-CE2 4.05Å; I19-R121 HydrophobicContact CB-CG 4.25Å; I19-R121 HydrophobicContact CD1-CG 4.16Å; I19-R121 HydrophobicContact CG2-CB 3.82Å; I19-R121 HydrophobicContact CG2-CG 4.07Å
20Q94.4Very high89.8Confident111 Ų11160.8 Ų60.852%0.51930%0.301SS..EExtended strand (participates in β ladder)trans-122136.9167.163178.5-5.400109.8V39 A40 L41Q20-V39 HydrophobicContact CB-CG1 4.34Å; Q20-A40 CarbonylContact C-O 3.59Å; Q20-A40 WeakPolarHBondContact CA-O 3.46Å; Q20-L41 HydrophobicContact CB-CD2 4.29Å; Q20-L41 HydrophobicContact CB-CG 4.08Å
21Q95.4Very high90.2Very high28 Ų2859.7 Ų59.713%0.13130%0.296CS..EExtended strand (participates in β ladder)trans-131.2120.5179.8-178.25555.800110.2V24 V39 A40 F110 H113 F118Q21-V24 HydrophobicContact CB-CG2 4.09Å; Q21-V24 HydrophobicContact CG-CG2 3.69Å; Q21-V24 WeakPolarHBondContact O-CG2 3.38Å; Q21-V39 CarbonylContact O-C 3.52Å; Q21-V39 WeakPolarHBondContact O-CA 3.32Å; Q21-V39 WeakPolarHBondContact O-CG1 3.28Å; Q21-A40 PolarHBondContact N-O 3.38Å; Q21-A40 PolarHBondContact O-N 2.94Å; Q21-F110 HydrophobicContact CB-CE1 4.36Å; Q21-F110 HydrophobicContact CG-CD1 3.7Å; Q21-F110 HydrophobicContact CG-CE1 3.72Å; Q21-H113 PolarHBondContact NE2-O 2.88Å; Q21-H113 PolarHBondContact OE1-O 2.82Å; Q21-F118 HydrophobicContact CB-CD2 3.72Å; Q21-F118 HydrophobicContact CB-CE2 4.24Å
22R93.6Very high90.3Very high166 Ų16661.8 Ų61.863%0.62630%0.302SS*.EExtended strand (participates in β ladder)trans-79.8165.8174.4-62.4-172.6177.6-158-0.6110.7V24 V39 E112R22-V24 VanDerWaalsContact C-N 3.34Å; R22-V24 PolarHBondContact O-N 3.4Å; R22-V39 HydrophobicContact CG-CG1 4.36Å; R22-V39 HydrophobicContact CG-CG2 4.04Å; R22-E112 VanDerWaalsContact CB-OE2 3.28Å; R22-E112 WeakPolarHBondContact CB-OE2 3.34Å
23G92.8Very high90.5Very high4 Ų456.9 Ų56.94%0.04128%0.28CS..EExtended strand (participates in β ladder)trans73.622.6176.700000114.1G38 K111G23-G38 PolarHBondContact N-O 2.84Å; G23-G38 VanDerWaalsContact N-O 3.17Å; G23-K111 WeakPolarHBondContact O-CA 3.43Å; G23-K111 WeakPolarHBondContact O-CB 3.2Å; G23-K111 WeakPolarHBondContact O-CG 3.35Å; G23-K111 PolarHBondContact O-N 2.92Å
24V93.9Very high91.2Very high0 Ų059 Ų590%028%0.283CS..EExtended strand (participates in β ladder)trans-101.1126.1-175.7-173.90000111.1Q21 R22 G38 A40 W49 L108 S109 F110Q21-V24 HydrophobicContact CB-CG2 4.09Å; Q21-V24 HydrophobicContact CG-CG2 3.69Å; Q21-V24 WeakPolarHBondContact O-CG2 3.38Å; R22-V24 VanDerWaalsContact C-N 3.34Å; R22-V24 PolarHBondContact O-N 3.4Å; V24-G38 PolarHBondContact N-O 2.88Å; V24-G38 PolarHBondContact O-N 3.23Å; V24-A40 HydrophobicContact CB-CB 3.88Å; V24-A40 HydrophobicContact CG1-CB 3.91Å; V24-A40 HydrophobicContact CG2-CB 3.87Å; V24-W49 PolarHBondContact O-NE1 2.99Å; V24-L108 HydrophobicContact CG1-CB 4.02Å; V24-L108 HydrophobicContact CG1-CD2 4.41Å; V24-S109 WeakPolarHBondContact CA-O 3.33Å; V24-F110 HydrophobicContact CG2-CD1 3.73Å; V24-F110 HydrophobicContact CG2-CE1 3.8Å; V24-F110 HydrophobicContact CG2-CG 4.44Å
25R93.9Very high91.4Very high34 Ų3454.9 Ų54.913%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-109.9136.7175.6-173.8-179.8-69.8-97.76.7111Y27 K32 L35 V37 S109R25-Y27 HydrophobicContact CG-CE2 4.31Å; R25-K32 VanDerWaalsContact CD-CE 3.43Å; R25-L35 PolarHBondContact NH1-O 3.11Å; R25-L35 VanDerWaalsContact NH1-O 3.1Å; R25-V37 HydrophobicContact CB-CG2 4.44Å; R25-V37 VanDerWaalsContact NH2-CG2 3.31Å; R25-S109 PolarHBondContact N-O 3.41Å; R25-S109 PolarHBondContact O-N 2.91Å
26L94.3Very high91.4Very high1 Ų157.4 Ų57.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-87.5148.9176.7-58.7-176.6000112.7M1 A33 L35 W49 M59 K107 L108M1-L26 HydrophobicContact CE-CB 4.09Å; M1-L26 HydrophobicContact CE-CD1 3.71Å; M1-L26 HydrophobicContact SD-CB 4.42Å; M1-L26 HydrophobicContact SD-CD1 4.42Å; L26-A33 HydrophobicContact CB-CB 4.1Å; L26-A33 WeakPolarHBondContact O-CB 3.41Å; L26-A33 PolarHBondContact O-N 3.49Å; L26-L35 HydrophobicContact CD1-CD1 4.18Å; L26-W49 HydrophobicContact CD1-CB 3.84Å; L26-W49 HydrophobicContact CD1-CD2 3.78Å; L26-W49 HydrophobicContact CD1-CE3 4.31Å; L26-W49 HydrophobicContact CD1-CG 3.55Å; L26-W49 HydrophobicContact CD2-CG 4.17Å; L26-W49 HydrophobicContact CG-CB 4.48Å; L26-W49 HydrophobicContact CG-CD2 4.12Å; L26-W49 HydrophobicContact CG-CG 3.84Å; L26-M59 HydrophobicContact CD1-SD 3.97Å; L26-K107 CarbonylContact C-O 3.58Å; L26-K107 WeakPolarHBondContact CA-O 3.35Å; L26-L108 HydrophobicContact CD2-CD2 3.2Å
27Y93.9Very high91.4Very high32 Ų3255.9 Ų55.913%0.12527%0.266CS..EExtended strand (participates in β ladder)trans-128.6142.2169.7-71.3-109.4000109.5R25 D31 K32 I106 K107R25-Y27 HydrophobicContact CG-CE2 4.31Å; Y27-D31 CarbonylContact C-O 3.15Å; Y27-D31 VanDerWaalsContact CA-O 3.26Å; Y27-D31 WeakPolarHBondContact CA-O 3.41Å; Y27-D31 WeakPolarHBondContact CB-O 3.44Å; Y27-K32 HydrophobicContact CD1-CB 4.12Å; Y27-K32 HydrophobicContact CE1-CB 3.8Å; Y27-K32 HydrophobicContact CE1-CG 4.06Å; Y27-I106 WeakPolarHBondContact O-CA 3.26Å; Y27-I106 WeakPolarHBondContact O-CB 3.39Å; Y27-K107 HydrophobicContact CD2-CB 4.41Å; Y27-K107 HydrophobicContact CG-CB 4.36Å; Y27-K107 PolarHBondContact N-O 2.85Å; Y27-K107 PolarHBondContact O-N 3.32Å; Y27-K107 VanDerWaalsContact O-N 3.15Å
28D93.1Very high91.4Very high18 Ų1852.2 Ų52.210%0.09625%0.247CC..EExtended strand (participates in β ladder)trans-92100.5165.1-164.323.8000109.9M1 D30 D31 S101 Y103M1-D28 WeakPolarHBondContact CA-OD1 3.34Å; M1-D28 HydrophobicContact CB-CB 3.81Å; M1-D28 VanDerWaalsContact CB-CG 3.45Å; M1-D28 VanDerWaalsContact CB-OD1 3.26Å; M1-D28 WeakPolarHBondContact CB-OD1 3.25Å; M1-D28 VanDerWaalsContact CG-CA 3.47Å; M1-D28 HydrophobicContact CG-CB 3.37Å; M1-D28 WeakPolarHBondContact CG-OD1 3.45Å; M1-D28 PolarHBondContact N-OD1 3.06Å; D28-D30 PolarHBondContact O-N 3Å; D28-D30 VanDerWaalsContact O-N 3.12Å; D28-D31 PolarHBondContact N-O 2.82Å; D28-D31 WeakPolarHBondContact O-CB 3.31Å; D28-D31 PolarHBondContact O-N 3.04Å; D28-S101 PolarHBondContact OD1-OG 3.33Å; D28-S101 WeakPolarHBondContact OD2-CB 3.26Å; D28-S101 PolarHBondContact OD2-OG 2.87Å; D28-Y103 WeakPolarHBondContact O-CD2 3.27Å
29G90.3Very high91.4Very high0 Ų052.2 Ų52.20%025%0.247CC..THydrogen-bonded Turntrans58.8-116.9-168.400000112.1F105 K107G29-F105 WeakPolarHBondContact CA-O 3.42Å; G29-F105 PolarHBondContact N-O 2.98Å; G29-F105 WeakPolarHBondContact O-CE2 3.49Å; G29-K107 WeakPolarHBondContact O-CD 3.44Å
30D88.6Confident91.4Very high98 Ų9851 Ų5152%0.52424%0.241SC..THydrogen-bonded Turntrans-90.4-15.8174.4-68.5-52.8000113.5D28 K107D28-D30 PolarHBondContact O-N 3Å; D28-D30 VanDerWaalsContact O-N 3.12Å; D30-K107 IonicContact OD1-NZ 3.89Å; D30-K107 PolarHBondContact OD1-NZ 3.19Å
31D90Very high91.4Very high93 Ų9345.8 Ų45.850%0.49722%0.216SC..EExtended strand (participates in β ladder)trans-81.6132.5-177.6-69.1-31.5000111Y27 D28 A33Y27-D31 CarbonylContact C-O 3.15Å; Y27-D31 VanDerWaalsContact CA-O 3.26Å; Y27-D31 WeakPolarHBondContact CA-O 3.41Å; Y27-D31 WeakPolarHBondContact CB-O 3.44Å; D28-D31 PolarHBondContact N-O 2.82Å; D28-D31 WeakPolarHBondContact O-CB 3.31Å; D28-D31 PolarHBondContact O-N 3.04Å; D31-A33 PolarHBondContact O-N 3.38Å
32K87.9Confident91.5Very high118 Ų11844.5 Ų44.551%0.51321%0.21SC..EExtended strand (participates in β ladder)trans-66.9123.7175.5-170.5-178.6176.5-169.30109R25 Y27R25-K32 VanDerWaalsContact CD-CE 3.43Å; Y27-K32 HydrophobicContact CD1-CB 4.12Å; Y27-K32 HydrophobicContact CE1-CB 3.8Å; Y27-K32 HydrophobicContact CE1-CG 4.06Å
33A87.8Confident91.5Very high5 Ų536.6 Ų36.64%0.04118%0.18CC..PPolyproline II helixtrans-60.5145.4176.400000109.8M1 L26 D31 L35 Y98M1-A33 HydrophobicContact CE-CB 4.45Å; L26-A33 HydrophobicContact CB-CB 4.1Å; L26-A33 WeakPolarHBondContact O-CB 3.41Å; L26-A33 PolarHBondContact O-N 3.49Å; D31-A33 PolarHBondContact O-N 3.38Å; A33-L35 HydrophobicContact CB-CB 4.36Å; A33-L35 HydrophobicContact CB-CD1 4.24Å; A33-L35 HydrophobicContact CB-CG 4.39Å; A33-L35 PolarHBondContact O-N 3.39Å; A33-Y98 WeakPolarHBondContact CA-OH 3.29Å; A33-Y98 WeakPolarHBondContact CB-OH 3.49Å
34K85.3Confident91.5Very high199 Ų19936.5 Ų36.587%0.86518%0.179SC*.SBendtrans-74.441.9173.4-62.1-177.3-179178.90111.8Y98K34-Y98 PolarHBondContact N-OH 2.96Å
35L84.9Confident91.4Very high22 Ų2238 Ų3812%0.11519%0.186CC..SBendtrans-126147.2-179.4-62.5167.6000107.8M1 R25 L26 A33 W49 M59 Y98M1-L35 HydrophobicContact CE-CD1 4.18Å; R25-L35 PolarHBondContact NH1-O 3.11Å; R25-L35 VanDerWaalsContact NH1-O 3.1Å; L26-L35 HydrophobicContact CD1-CD1 4.18Å; A33-L35 HydrophobicContact CB-CB 4.36Å; A33-L35 HydrophobicContact CB-CD1 4.24Å; A33-L35 HydrophobicContact CB-CG 4.39Å; A33-L35 PolarHBondContact O-N 3.39Å; L35-W49 HydrophobicContact CB-CH2 3.83Å; L35-W49 HydrophobicContact CB-CZ2 4.4Å; L35-W49 HydrophobicContact CB-CZ3 4.25Å; L35-W49 HydrophobicContact CD1-CZ3 4.24Å; L35-W49 HydrophobicContact CD2-CZ3 4.31Å; L35-W49 HydrophobicContact CG-CZ3 4.5Å; L35-M59 HydrophobicContact CD1-CE 3.39Å; L35-M59 HydrophobicContact CD1-SD 3.74Å; L35-M59 HydrophobicContact CD2-CE 3.85Å; L35-M59 HydrophobicContact CG-CE 4.27Å; L35-Y98 HydrophobicContact CD1-CE2 4.27Å
36D86.2Confident91.5Very high65 Ų6537.4 Ų37.435%0.34818%0.184SC..  trans-76.1-172.3179.6-103.9-16.6000111.4W49 K53D36-W49 VanDerWaalsContact O-CZ2 3.22Å; D36-W49 WeakPolarHBondContact O-CZ2 3.32Å; D36-K53 IonicContact OD2-NZ 3.4Å; D36-K53 PolarHBondContact OD2-NZ 2.94Å
37V90.6Very high91.5Very high46 Ų4637.5 Ų37.528%0.27918%0.184SC..SBendtrans-76.6134.5170.9-1750000107.9R25 G52 K111R25-V37 HydrophobicContact CB-CG2 4.44Å; R25-V37 VanDerWaalsContact NH2-CG2 3.31Å; V37-G52 PolarHBondContact O-N 3.26Å; V37-K111 HydrophobicContact CG1-CG 4.43Å; V37-K111 HydrophobicContact CG2-CG 4.29Å
38G92.5Very high91.6Very high2 Ų236 Ų362%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-136.6-160.9-176.500000112.9G23 V24 R50G23-G38 PolarHBondContact N-O 2.84Å; G23-G38 VanDerWaalsContact N-O 3.17Å; V24-G38 PolarHBondContact N-O 2.88Å; V24-G38 PolarHBondContact O-N 3.23Å; G38-R50 CarbonylContact C-O 3.54Å; G38-R50 WeakPolarHBondContact CA-O 3.45Å
39V93.9Very high91.7Very high28 Ų2835.2 Ų35.217%0.1717%0.174CC..EExtended strand (participates in β ladder)trans-111.3121.9178.3-171.70000108.2Q20 Q21 R22 L41 W49 R50Q20-V39 HydrophobicContact CB-CG1 4.34Å; Q21-V39 CarbonylContact O-C 3.52Å; Q21-V39 WeakPolarHBondContact O-CA 3.32Å; Q21-V39 WeakPolarHBondContact O-CG1 3.28Å; R22-V39 HydrophobicContact CG-CG1 4.36Å; R22-V39 HydrophobicContact CG-CG2 4.04Å; V39-L41 HydrophobicContact CB-CD1 4.39Å; V39-L41 HydrophobicContact CG1-CD1 4.09Å; V39-L41 HydrophobicContact CG1-CG 4.37Å; V39-W49 WeakPolarHBondContact O-CA 3.43Å; V39-R50 PolarHBondContact N-O 2.83Å; V39-R50 PolarHBondContact O-N 3.27Å
40A95.4Very high91.8Very high1 Ų138.9 Ų38.91%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-88.4130.1168.700000109Q20 Q21 V24 I48 F118Q20-A40 CarbonylContact C-O 3.59Å; Q20-A40 WeakPolarHBondContact CA-O 3.46Å; Q21-A40 PolarHBondContact N-O 3.38Å; Q21-A40 PolarHBondContact O-N 2.94Å; V24-A40 HydrophobicContact CB-CB 3.88Å; V24-A40 HydrophobicContact CG1-CB 3.91Å; V24-A40 HydrophobicContact CG2-CB 3.87Å; A40-I48 CarbonylContact C-O 3.58Å; A40-I48 WeakPolarHBondContact CA-O 3.22Å; A40-F118 HydrophobicContact CB-CE2 3.92Å; A40-F118 HydrophobicContact CB-CZ 3.99Å
41L95.4Very high91.8Very high2 Ų234.9 Ų34.91%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-117.8130.4173.4-5791.2000108.2L17 I19 Q20 V39 I48 R50L17-L41 HydrophobicContact CD1-CB 3.86Å; L17-L41 HydrophobicContact CD1-CD2 3.81Å; L17-L41 HydrophobicContact CD1-CG 4.36Å; I19-L41 WeakPolarHBondContact O-CA 3.29Å; Q20-L41 HydrophobicContact CB-CD2 4.29Å; Q20-L41 HydrophobicContact CB-CG 4.08Å; V39-L41 HydrophobicContact CB-CD1 4.39Å; V39-L41 HydrophobicContact CG1-CD1 4.09Å; V39-L41 HydrophobicContact CG1-CG 4.37Å; L41-I48 HydrophobicContact CB-CB 4.19Å; L41-I48 HydrophobicContact CD1-CG2 4.43Å; L41-I48 PolarHBondContact N-O 3.29Å; L41-I48 PolarHBondContact O-N 2.84Å; L41-R50 HydrophobicContact CD1-CB 4.42Å; L41-R50 HydrophobicContact CD1-CG 3.83Å; L41-R50 VanDerWaalsContact CD2-NH2 3.34Å
42L96.3Very high91.4Very high0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-103.3123.4169.3178.164.7000107.5V18 I19 L63 F118 R121 L122 E125V18-L42 WeakPolarHBondContact CA-O 3.36Å; V18-L42 HydrophobicContact CB-CD2 4.37Å; V18-L42 HydrophobicContact CB-CG 4.21Å; V18-L42 WeakPolarHBondContact CB-O 3.25Å; V18-L42 HydrophobicContact CG1-CD2 4.18Å; V18-L42 PolarHBondContact N-O 3.21Å; I19-L42 HydrophobicContact CG2-CB 3.7Å; I19-L42 HydrophobicContact CG2-CD2 4.05Å; I19-L42 HydrophobicContact CG2-CG 4.46Å; I19-L42 PolarHBondContact N-O 3.26Å; I19-L42 VanDerWaalsContact N-O 3.15Å; I19-L42 PolarHBondContact O-N 3.42Å; L42-L63 HydrophobicContact CD1-CD1 3.92Å; L42-L63 HydrophobicContact CD1-CD2 3.73Å; L42-L63 HydrophobicContact CD1-CG 4.42Å; L42-F118 HydrophobicContact CB-CE2 4.14Å; L42-F118 HydrophobicContact CB-CZ 3.99Å; L42-R121 HydrophobicContact CD2-CB 3.95Å; L42-L122 HydrophobicContact CD1-CD1 3.7Å; L42-L122 HydrophobicContact CD2-CB 4.06Å; L42-L122 HydrophobicContact CD2-CD1 4.29Å; L42-E125 HydrophobicContact CD2-CG 4.13Å; L42-E125 HydrophobicContact CG-CG 4.41Å
43S95.4Very high91.1Very high0 Ų034.3 Ų34.30%017%0.17CC..EExtended strand (participates in β ladder)trans-106.6177.6166.4750000110.2E15 T16 H45 R46 L63E15-S43 VanDerWaalsContact CD-OG 3.3Å; E15-S43 WeakPolarHBondContact CG-OG 3.31Å; E15-S43 VanDerWaalsContact OE1-CB 3.29Å; E15-S43 WeakPolarHBondContact OE1-CB 3.44Å; E15-S43 PolarHBondContact OE1-OG 3.44Å; T16-S43 CarbonylContact O-C 3.59Å; T16-S43 WeakPolarHBondContact O-CA 3.44Å; T16-S43 VanDerWaalsContact O-CB 3.23Å; T16-S43 WeakPolarHBondContact O-CB 3.27Å; S43-H45 PolarHBondContact O-N 2.71Å; S43-H45 PolarHBondContact OG-N 3.24Å; S43-H45 VanDerWaalsContact OG-N 3.15Å; S43-R46 PolarHBondContact N-O 3.46Å; S43-R46 PolarHBondContact OG-N 3.45Å; S43-R46 PolarHBondContact OG-O 2.94Å; S43-L63 WeakPolarHBondContact O-CD1 3.38Å
44T92.1Very high90.7Very high3 Ų337.9 Ų37.92%0.01819%0.188CC..SBendtrans-65.4-11172.248.60000114.3T16 V18 E125T16-T44 PolarHBondContact N-OG1 3.5Å; T16-T44 PolarHBondContact O-N 3.33Å; T16-T44 WeakPolarHBondContact OG1-CG2 3.4Å; T16-T44 PolarHBondContact OG1-OG1 2.79Å; V18-T44 HydrophobicContact CG2-CG2 3.86Å; T44-E125 WeakPolarHBondContact CA-OE2 3.16Å; T44-E125 WeakPolarHBondContact CG2-OE2 3.37Å
45H92Very high90Very high30 Ų3035.1 Ų35.114%0.13918%0.178CC..SBendtrans-128.4-29-173.7-67.567000114.2N14 E15 S43 L63 W131 T134N14-H45 PolarHBondContact O-CE1 2.9Å; E15-H45 HydrophobicContact CG-CB 3.95Å; S43-H45 PolarHBondContact O-N 2.71Å; S43-H45 PolarHBondContact OG-N 3.24Å; S43-H45 VanDerWaalsContact OG-N 3.15Å; H45-L63 PolarHBondContact O-N 2.79Å; H45-W131 HydrophobicContact CB-CB 4.39Å; H45-T134 PolarHBondContact NE2-OG1 2.71Å
46R94.9Very high89.5Confident23 Ų2341.2 Ų41.29%0.08721%0.211CC..EExtended strand (participates in β ladder)trans-139.8148.6-170.3-57.3-178.5-61.4173.35.5111.7L10 E12 E15 S43 I48 M61L10-R46 PolarHBondContact O-NH2 3.36Å; E12-R46 IonicContact OE1-CZ 2.7Å; E12-R46 VanDerWaalsContact OE1-CZ 3.23Å; E12-R46 IonicContact OE1-NE 3.59Å; E12-R46 IonicContact OE1-NH1 2.85Å; E12-R46 PolarHBondContact OE1-NH1 2.89Å; E15-R46 WeakPolarHBondContact OE1-CB 3.48Å; E15-R46 WeakPolarHBondContact OE1-CG 3.41Å; E15-R46 IonicContact OE1-CZ 3.23Å; E15-R46 IonicContact OE1-NE 3.24Å; E15-R46 PolarHBondContact OE1-NE 2.92Å; E15-R46 IonicContact OE1-NH2 2.73Å; E15-R46 IonicContact OE2-CZ 3.52Å; E15-R46 VanDerWaalsContact OE2-CZ 3.24Å; E15-R46 IonicContact OE2-NE 3.94Å; E15-R46 PolarHBondContact OE2-NE 2.73Å; E15-R46 VanDerWaalsContact OE2-NE 3.17Å; E15-R46 IonicContact OE2-NH2 3.56Å; E15-R46 PolarHBondContact OE2-NH2 3.25Å; S43-R46 PolarHBondContact N-O 3.46Å; S43-R46 PolarHBondContact OG-N 3.45Å; S43-R46 PolarHBondContact OG-O 2.94Å; R46-I48 HydrophobicContact CB-CG1 4.04Å; R46-M61 CarbonylContact C-O 3.45Å; R46-M61 VanDerWaalsContact CA-O 3.29Å; R46-M61 WeakPolarHBondContact CA-O 3.2Å
47L95.9Very high89.4Confident2 Ų239 Ų391%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-91.5117.8159.8179.664.1000107.9F4 A60 M61 L63 I84 I106 L108 F118F4-L47 HydrophobicContact CZ-CD2 4.17Å; L47-A60 CarbonylContact O-C 3.56Å; L47-A60 WeakPolarHBondContact O-CA 3.46Å; L47-M61 HydrophobicContact CD2-CE 4.47Å; L47-M61 PolarHBondContact N-O 2.71Å; L47-M61 PolarHBondContact O-N 3.16Å; L47-L63 HydrophobicContact CB-CD2 4.04Å; L47-I84 HydrophobicContact CD2-CD1 3.77Å; L47-I106 HydrophobicContact CD2-CD1 4.41Å; L47-L108 HydrophobicContact CD1-CD1 4.32Å; L47-L108 HydrophobicContact CD2-CD1 4.27Å; L47-L108 HydrophobicContact CD2-CD2 4.41Å; L47-F118 HydrophobicContact CD1-CE1 4.21Å; L47-F118 HydrophobicContact CD1-CZ 3.77Å
48I95.2Very high89.4Confident0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-114.1139-177-52.6171.8000108.4L11 A40 L41 R46 R50 C58 M59 A60L11-I48 HydrophobicContact CD2-CD1 4.18Å; A40-I48 CarbonylContact C-O 3.58Å; A40-I48 WeakPolarHBondContact CA-O 3.22Å; L41-I48 HydrophobicContact CB-CB 4.19Å; L41-I48 HydrophobicContact CD1-CG2 4.43Å; L41-I48 PolarHBondContact N-O 3.29Å; L41-I48 PolarHBondContact O-N 2.84Å; R46-I48 HydrophobicContact CB-CG1 4.04Å; I48-R50 HydrophobicContact CG2-CG 4.44Å; I48-C58 VanDerWaalsContact CG2-SG 3.54Å; I48-M59 CarbonylContact C-O 3.56Å; I48-M59 WeakPolarHBondContact CA-O 3Å; I48-A60 HydrophobicContact CB-CB 4.49Å; I48-A60 HydrophobicContact CG1-CB 3.91Å
49W94.9Very high89.4Confident2 Ų236.9 Ų36.91%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-126.6131.5172.5-174.891.3000109.9V24 L26 L35 D36 V39 D51 C58 M59V24-W49 PolarHBondContact O-NE1 2.99Å; L26-W49 HydrophobicContact CD1-CB 3.84Å; L26-W49 HydrophobicContact CD1-CD2 3.78Å; L26-W49 HydrophobicContact CD1-CE3 4.31Å; L26-W49 HydrophobicContact CD1-CG 3.55Å; L26-W49 HydrophobicContact CD2-CG 4.17Å; L26-W49 HydrophobicContact CG-CB 4.48Å; L26-W49 HydrophobicContact CG-CD2 4.12Å; L26-W49 HydrophobicContact CG-CG 3.84Å; L35-W49 HydrophobicContact CB-CH2 3.83Å; L35-W49 HydrophobicContact CB-CZ2 4.4Å; L35-W49 HydrophobicContact CB-CZ3 4.25Å; L35-W49 HydrophobicContact CD1-CZ3 4.24Å; L35-W49 HydrophobicContact CD2-CZ3 4.31Å; L35-W49 HydrophobicContact CG-CZ3 4.5Å; D36-W49 VanDerWaalsContact O-CZ2 3.22Å; D36-W49 WeakPolarHBondContact O-CZ2 3.32Å; V39-W49 WeakPolarHBondContact O-CA 3.43Å; W49-D51 VanDerWaalsContact CH2-CA 3.49Å; W49-D51 HydrophobicContact CH2-CB 3.7Å; W49-D51 WeakPolarHBondContact CH2-OD2 3.12Å; W49-D51 HydrophobicContact CZ3-CB 3.73Å; W49-C58 WeakPolarHBondContact O-CA 3.26Å; W49-M59 HydrophobicContact CB-CG 4.11Å; W49-M59 HydrophobicContact CE3-CE 3.74Å; W49-M59 HydrophobicContact CE3-CG 4.26Å; W49-M59 HydrophobicContact CE3-SD 4.21Å; W49-M59 HydrophobicContact CZ3-CE 3.9Å; W49-M59 PolarHBondContact N-O 3.01Å; W49-M59 PolarHBondContact O-N 3.37Å
50R92.8Very high89.4Confident77 Ų7735.6 Ų35.629%0.29118%0.179SC..EExtended strand (participates in β ladder)trans-119.7133.7178.1-62.6-176.1-160.3160.22109.9G9 G38 V39 L41 I48 C58G9-R50 PolarHBondContact O-NH2 3.44Å; G38-R50 CarbonylContact C-O 3.54Å; G38-R50 WeakPolarHBondContact CA-O 3.45Å; V39-R50 PolarHBondContact N-O 2.83Å; V39-R50 PolarHBondContact O-N 3.27Å; L41-R50 HydrophobicContact CD1-CB 4.42Å; L41-R50 HydrophobicContact CD1-CG 3.83Å; L41-R50 VanDerWaalsContact CD2-NH2 3.34Å; I48-R50 HydrophobicContact CG2-CG 4.44Å; R50-C58 HydrophobicContact CG-CB 4.01Å
51D89.1Confident89.3Confident15 Ų1535.5 Ų35.58%0.0818%0.179CC..EExtended strand (participates in β ladder)trans-65143.2174.9-170.1-79.9000111.1W49 K53 N54 C57W49-D51 VanDerWaalsContact CH2-CA 3.49Å; W49-D51 HydrophobicContact CH2-CB 3.7Å; W49-D51 WeakPolarHBondContact CH2-OD2 3.12Å; W49-D51 HydrophobicContact CZ3-CB 3.73Å; D51-K53 WeakPolarHBondContact OD1-CA 3.34Å; D51-K53 PolarHBondContact OD1-N 2.87Å; D51-N54 HydrophobicContact CB-CB 4.47Å; D51-N54 WeakPolarHBondContact CB-O 3.41Å; D51-N54 PolarHBondContact OD1-N 3.49Å; D51-C57 HydrophobicContact CB-CB 3.8Å; D51-C57 PolarHBondContact N-O 3.18Å
52G81.6Confident89.2Confident36 Ų3637.9 Ų37.937%0.37119%0.194SC..SBendtrans-76-22.2-176.900000114.1V37V37-G52 PolarHBondContact O-N 3.26Å
53K81Confident89.1Confident162 Ų16237.9 Ų37.970%0.70419%0.194SC*.SBendtrans-105.9-38.2-179.7-63.8174.8-176.4163.40111.9D36 D51D36-K53 IonicContact OD2-NZ 3.4Å; D36-K53 PolarHBondContact OD2-NZ 2.94Å; D51-K53 WeakPolarHBondContact OD1-CA 3.34Å; D51-K53 PolarHBondContact OD1-N 2.87Å
54N79.8Confident89Confident81 Ų8140.7 Ų40.743%0.43321%0.214SC..  trans-11194.3179.3-175.6-2.6000110.7D51 D56 C57D51-N54 HydrophobicContact CB-CB 4.47Å; D51-N54 WeakPolarHBondContact CB-O 3.41Å; D51-N54 PolarHBondContact OD1-N 3.49Å; N54-D56 PolarHBondContact O-N 2.86Å; N54-D56 VanDerWaalsContact O-N 3.13Å; N54-D56 WeakPolarHBondContact OD1-CB 3.31Å; N54-D56 PolarHBondContact OD1-N 2.93Å; N54-D56 VanDerWaalsContact OD1-N 3.11Å; N54-C57 HydrophobicContact CB-CB 4.09Å; N54-C57 WeakPolarHBondContact O-CB 3.19Å; N54-C57 PolarHBondContact O-N 3.32Å
55H70.7Confident89Confident141 Ų14142 Ų4265%0.65322%0.22SC*.THydrogen-bonded Turntrans-65.1-16.2-178.4-63.8-49.8000114.4C57H55-C57 VanDerWaalsContact C-N 3.32Å
56D74.1Confident89.1Confident150 Ų15041.2 Ų41.280%0.80222%0.216SC*.THydrogen-bonded Turntrans-80-16.6173.4-58.6-33.3000112.2N54 C58N54-D56 PolarHBondContact O-N 2.86Å; N54-D56 VanDerWaalsContact O-N 3.13Å; N54-D56 WeakPolarHBondContact OD1-CB 3.31Å; N54-D56 PolarHBondContact OD1-N 2.93Å; N54-D56 VanDerWaalsContact OD1-N 3.11Å; D56-C58 PolarHBondContact O-N 3.05Å; D56-C58 VanDerWaalsContact O-N 3.14Å
57C84.3Confident88.8Confident19 Ų1944.3 Ų44.313%0.12823%0.234CC..  trans-84.486.1173.7-173.70000109.6D51 N54 H55D51-C57 HydrophobicContact CB-CB 3.8Å; D51-C57 PolarHBondContact N-O 3.18Å; N54-C57 HydrophobicContact CB-CB 4.09Å; N54-C57 WeakPolarHBondContact O-CB 3.19Å; N54-C57 PolarHBondContact O-N 3.32Å; H55-C57 VanDerWaalsContact C-N 3.32Å
58C90.1Very high88.7Confident2 Ų249 Ų491%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-126.6136.3179.1176.20000110.9S7 G9 I48 W49 R50 D56S7-C58 PolarHBondContact N-O 3.03Å; S7-C58 WeakPolarHBondContact O-CB 3.49Å; S7-C58 VanDerWaalsContact O-O 3.1Å; G9-C58 WeakPolarHBondContact CA-SG 3.49Å; G9-C58 PolarHBondContact N-SG 3.31Å; I48-C58 VanDerWaalsContact CG2-SG 3.54Å; W49-C58 WeakPolarHBondContact O-CA 3.26Å; R50-C58 HydrophobicContact CG-CB 4.01Å; D56-C58 PolarHBondContact O-N 3.05Å; D56-C58 VanDerWaalsContact O-N 3.14Å
59M93.1Very high88.7Confident0 Ų050.3 Ų50.30%026%0.26CS..EExtended strand (participates in β ladder)trans-135.2147.5179.662.8-166.975.600110.8M1 F4 S5 W6 L26 L35 I48 W49 P97M1-M59 HydrophobicContact CE-SD 4.33Å; F4-M59 HydrophobicContact CB-CB 4.21Å; F4-M59 HydrophobicContact CB-CG 4.34Å; F4-M59 HydrophobicContact CB-SD 4.36Å; F4-M59 HydrophobicContact CD1-CB 4.17Å; F4-M59 HydrophobicContact CD1-CG 3.79Å; F4-M59 HydrophobicContact CD1-SD 4.44Å; F4-M59 HydrophobicContact CE1-CG 4.44Å; F4-M59 HydrophobicContact CG-CG 4.24Å; F4-M59 HydrophobicContact CG-SD 4.37Å; S5-M59 CarbonylContact O-C 3.57Å; S5-M59 WeakPolarHBondContact O-CA 3.49Å; S5-M59 WeakPolarHBondContact O-CB 3.45Å; W6-M59 HydrophobicContact CZ3-CE 4.33Å; L26-M59 HydrophobicContact CD1-SD 3.97Å; L35-M59 HydrophobicContact CD1-CE 3.39Å; L35-M59 HydrophobicContact CD1-SD 3.74Å; L35-M59 HydrophobicContact CD2-CE 3.85Å; L35-M59 HydrophobicContact CG-CE 4.27Å; I48-M59 CarbonylContact C-O 3.56Å; I48-M59 WeakPolarHBondContact CA-O 3Å; W49-M59 HydrophobicContact CB-CG 4.11Å; W49-M59 HydrophobicContact CE3-CE 3.74Å; W49-M59 HydrophobicContact CE3-CG 4.26Å; W49-M59 HydrophobicContact CE3-SD 4.21Å; W49-M59 HydrophobicContact CZ3-CE 3.9Å; W49-M59 PolarHBondContact N-O 3.01Å; W49-M59 PolarHBondContact O-N 3.37Å; M59-P97 HydrophobicContact CE-CB 4.44Å; M59-P97 HydrophobicContact CE-CG 3.73Å; M59-P97 HydrophobicContact SD-CG 3.68Å
60A93.6Very high88.7Confident1 Ų154.4 Ų54.41%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-134.9152.3-178.500000111.2F4 S5 L47 I48F4-A60 CarbonylContact C-O 3.52Å; F4-A60 WeakPolarHBondContact CA-O 3.48Å; S5-A60 PolarHBondContact N-O 3.03Å; S5-A60 PolarHBondContact O-N 2.74Å; S5-A60 PolarHBondContact OG-O 3.14Å; L47-A60 CarbonylContact O-C 3.56Å; L47-A60 WeakPolarHBondContact O-CA 3.46Å; I48-A60 HydrophobicContact CB-CB 4.49Å; I48-A60 HydrophobicContact CG1-CB 3.91Å
61M94Very high88.6Confident0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-137134.6171.8179.6-168.475.700108.5R3 F4 R46 L47 Q65 I66 L86R3-M61 HydrophobicContact CB-CG 4.08Å; R3-M61 HydrophobicContact CB-SD 3.72Å; R3-M61 WeakPolarHBondContact O-CG 3.37Å; F4-M61 HydrophobicContact CD1-CB 3.79Å; F4-M61 HydrophobicContact CE1-CB 3.83Å; F4-M61 HydrophobicContact CG-CB 4.15Å; F4-M61 HydrophobicContact CZ-CB 4.24Å; R46-M61 CarbonylContact C-O 3.45Å; R46-M61 VanDerWaalsContact CA-O 3.29Å; R46-M61 WeakPolarHBondContact CA-O 3.2Å; L47-M61 HydrophobicContact CD2-CE 4.47Å; L47-M61 PolarHBondContact N-O 2.71Å; L47-M61 PolarHBondContact O-N 3.16Å; M61-Q65 HydrophobicContact CE-CB 4.32Å; M61-Q65 HydrophobicContact CG-CB 3.97Å; M61-Q65 HydrophobicContact CG-CG 4.14Å; M61-Q65 HydrophobicContact SD-CB 3.97Å; M61-I66 HydrophobicContact CE-CD1 4.09Å; M61-I66 HydrophobicContact CE-CG1 3.72Å; M61-L86 HydrophobicContact CE-CD1 4.48Å; M61-L86 HydrophobicContact CE-CD2 3.5Å; M61-L86 HydrophobicContact SD-CD1 3.71Å; M61-L86 HydrophobicContact SD-CD2 3.68Å; M61-L86 HydrophobicContact SD-CG 4.32Å
62P93.2Very high88.4Confident52 Ų5258.3 Ų58.334%0.33830%0.3SS..EExtended strand (participates in β ladder)trans-58.6141.7174.4-22.733.4000112.1S64 Q65P62-S64 WeakPolarHBondContact CB-OG 3.37Å; P62-S64 PolarHBondContact O-N 3.17Å; P62-Q65 HydrophobicContact CB-CG 4.35Å; P62-Q65 WeakPolarHBondContact O-CB 3.11Å; P62-Q65 PolarHBondContact O-N 2.84Å; P62-Q65 VanDerWaalsContact O-N 3.11Å
63L94.1Very high87.8Confident0 Ų061.2 Ų61.20%032%0.321CS..G310 helixtrans-65.5-25.6174.9-67.3-176.6000112.3L42 S43 H45 L47 Q65 I66 L122 E125 I126 W131L42-L63 HydrophobicContact CD1-CD1 3.92Å; L42-L63 HydrophobicContact CD1-CD2 3.73Å; L42-L63 HydrophobicContact CD1-CG 4.42Å; S43-L63 WeakPolarHBondContact O-CD1 3.38Å; H45-L63 PolarHBondContact O-N 2.79Å; L47-L63 HydrophobicContact CB-CD2 4.04Å; L63-Q65 PolarHBondContact O-N 2.75Å; L63-Q65 VanDerWaalsContact O-N 3.08Å; L63-I66 HydrophobicContact CD2-CD1 3.81Å; L63-I66 WeakPolarHBondContact O-CB 3.24Å; L63-I66 PolarHBondContact O-N 2.49Å; L63-L122 HydrophobicContact CD2-CD1 4.13Å; L63-E125 HydrophobicContact CD1-CB 4.07Å; L63-I126 HydrophobicContact CB-CD1 4.09Å; L63-W131 HydrophobicContact CB-CD2 4.16Å; L63-W131 HydrophobicContact CB-CE3 3.63Å; L63-W131 HydrophobicContact CB-CH2 3.74Å; L63-W131 HydrophobicContact CB-CZ2 4.29Å; L63-W131 HydrophobicContact CB-CZ3 3.4Å; L63-W131 VanDerWaalsContact CB-CZ3 3.4Å; L63-W131 HydrophobicContact CD1-CE3 3.91Å; L63-W131 HydrophobicContact CD1-CZ3 3.61Å; L63-W131 HydrophobicContact CG-CE3 4.38Å; L63-W131 HydrophobicContact CG-CZ3 4.16Å
64S91.7Very high87.1Confident58 Ų5855.9 Ų55.941%0.40631%0.307SS..G310 helixtrans-60.1-15.317258.60000114.2P62 I66P62-S64 WeakPolarHBondContact CB-OG 3.37Å; P62-S64 PolarHBondContact O-N 3.17Å; S64-I66 VanDerWaalsContact C-N 3.3Å
65Q91.9Very high86.2Confident31 Ų3154.1 Ų54.115%0.14531%0.308CS..G310 helixtrans-79.9-11.8174.2-68-64-42.800113.2M61 P62 L63 L86 H87M61-Q65 HydrophobicContact CE-CB 4.32Å; M61-Q65 HydrophobicContact CG-CB 3.97Å; M61-Q65 HydrophobicContact CG-CG 4.14Å; M61-Q65 HydrophobicContact SD-CB 3.97Å; P62-Q65 HydrophobicContact CB-CG 4.35Å; P62-Q65 WeakPolarHBondContact O-CB 3.11Å; P62-Q65 PolarHBondContact O-N 2.84Å; P62-Q65 VanDerWaalsContact O-N 3.11Å; L63-Q65 PolarHBondContact O-N 2.75Å; L63-Q65 VanDerWaalsContact O-N 3.08Å; Q65-L86 CarbonylContact O-C 3.55Å; Q65-L86 VanDerWaalsContact O-CA 3.24Å; Q65-L86 WeakPolarHBondContact O-CA 3.23Å; Q65-H87 PolarHBondContact O-N 3.41Å
66I94.1Very high85.5Confident13 Ų1356.1 Ų56.17%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-85.6120.1-177.4-59179.2000109.2M61 L63 S64 F69 I84 L86 L122 I126M61-I66 HydrophobicContact CE-CD1 4.09Å; M61-I66 HydrophobicContact CE-CG1 3.72Å; L63-I66 HydrophobicContact CD2-CD1 3.81Å; L63-I66 WeakPolarHBondContact O-CB 3.24Å; L63-I66 PolarHBondContact O-N 2.49Å; S64-I66 VanDerWaalsContact C-N 3.3Å; I66-F69 HydrophobicContact CG2-CD1 4.12Å; I66-I84 HydrophobicContact CB-CG2 4.21Å; I66-I84 HydrophobicContact CD1-CG2 3.78Å; I66-I84 HydrophobicContact CG1-CG2 3.65Å; I66-I84 HydrophobicContact CG2-CG2 3.69Å; I66-L86 HydrophobicContact CG1-CD2 3.94Å; I66-L122 HydrophobicContact CD1-CD1 4.28Å; I66-I126 HydrophobicContact CB-CD1 4.09Å; I66-I126 HydrophobicContact CD1-CD1 4.14Å; I66-I126 HydrophobicContact CG2-CD1 4.3Å
67I90.4Very high85Confident88 Ų8853.1 Ų53.145%0.45133%0.326SS..EExtended strand (participates in β ladder)trans-80.1-54.8174.1-54.9175.6000109.1H85 L86I67-H85 PolarHBondContact N-O 3.15Å; I67-L86 VanDerWaalsContact CD1-C 3.5Å; I67-L86 WeakPolarHBondContact CD1-O 3.36Å
68F92.6Very high84.6Confident102 Ų10259.6 Ų59.645%0.44735%0.352SS..EExtended strand (participates in β ladder)trans-159.5169.5175.471.9-82.7000109.3H85F68-H85 HydrophobicContact CD1-CB 3.79Å; F68-H85 AromaticContact CD2-CD2 3.74Å; F68-H85 HydrophobicContact CE1-CB 3.52Å; F68-H85 AromaticContact CE1-CD2 3.85Å; F68-H85 AromaticContact CE1-CG 3.59Å; F68-H85 HydrophobicContact CE2-CB 4.36Å; F68-H85 AromaticContact CE2-CD2 3.13Å; F68-H85 WeakPolarHBondContact CE2-CD2 3.26Å; F68-H85 AromaticContact CE2-CG 3.78Å; F68-H85 AromaticContact CE2-NE2 3.49Å; F68-H85 WeakPolarHBondContact CE2-NE2 3.18Å; F68-H85 HydrophobicContact CG-CB 4.31Å; F68-H85 HydrophobicContact CZ-CB 3.84Å; F68-H85 AromaticContact CZ-CD2 3.2Å; F68-H85 WeakPolarHBondContact CZ-CD2 3.42Å; F68-H85 AromaticContact CZ-CE1 3.82Å; F68-H85 AromaticContact CZ-CG 3.34Å; F68-H85 AromaticContact CZ-ND1 3.77Å; F68-H85 AromaticContact CZ-NE2 3.51Å; F68-H85 PolarHBondContact O-N 3.48Å
69F95.7Very high84.3Confident26 Ų2661 Ų6111%0.11436%0.362CS..EExtended strand (participates in β ladder)trans-146.7155.1177.160.2-80.9000109.8I66 I82 V83 I84 Y119 L122 T123 I126I66-F69 HydrophobicContact CG2-CD1 4.12Å; F69-I82 HydrophobicContact CB-CG2 4.29Å; F69-I82 HydrophobicContact CD2-CG2 4.13Å; F69-V83 CarbonylContact C-O 3.51Å; F69-V83 WeakPolarHBondContact CA-O 3.38Å; F69-V83 VanDerWaalsContact CB-O 3.25Å; F69-V83 WeakPolarHBondContact CB-O 3.37Å; F69-I84 HydrophobicContact CB-CB 4.37Å; F69-I84 HydrophobicContact CB-CG1 4.06Å; F69-I84 HydrophobicContact CB-CG2 4.42Å; F69-Y119 AromaticContact CD2-CD2 3.75Å; F69-Y119 HydrophobicContact CD2-CD2 3.75Å; F69-Y119 AromaticContact CD2-CE2 3.32Å; F69-Y119 HydrophobicContact CD2-CE2 3.32Å; F69-Y119 AromaticContact CD2-CZ 3.89Å; F69-Y119 HydrophobicContact CE2-CD1 4.33Å; F69-Y119 AromaticContact CE2-CD2 3.7Å; F69-Y119 HydrophobicContact CE2-CD2 3.7Å; F69-Y119 HydrophobicContact CE2-CE1 4.03Å; F69-Y119 AromaticContact CE2-CE2 3.39Å; F69-Y119 HydrophobicContact CE2-CE2 3.39Å; F69-Y119 HydrophobicContact CE2-CG 4.18Å; F69-Y119 AromaticContact CE2-CZ 3.56Å; F69-L122 HydrophobicContact CD1-CD2 4.19Å; F69-L122 HydrophobicContact CD1-CG 4.36Å; F69-L122 HydrophobicContact CD2-CD2 3.82Å; F69-L122 HydrophobicContact CD2-CG 4.4Å; F69-L122 HydrophobicContact CE1-CD2 4.38Å; F69-L122 HydrophobicContact CE1-CG 4.1Å; F69-L122 HydrophobicContact CE2-CB 4.39Å; F69-L122 HydrophobicContact CE2-CD2 4.01Å; F69-L122 HydrophobicContact CE2-CG 4.13Å; F69-L122 HydrophobicContact CG-CD2 3.93Å; F69-L122 HydrophobicContact CZ-CB 4.4Å; F69-L122 HydrophobicContact CZ-CD2 4.3Å; F69-L122 HydrophobicContact CZ-CG 4Å; F69-T123 WeakPolarHBondContact CZ-OG1 3.35Å; F69-I126 HydrophobicContact CD1-CG1 4.4Å; F69-I126 HydrophobicContact CE1-CB 4.1Å; F69-I126 HydrophobicContact CE1-CG1 3.81Å; F69-I126 HydrophobicContact CE1-CG2 4.29Å
70E94.1Very high84.2Confident88 Ų8862.5 Ų62.541%0.41137%0.374SS..EExtended strand (participates in β ladder)trans-144.5153.5-174.762.6-173.4151.600110.9V83 H85E70-V83 HydrophobicContact CG-CB 3.87Å; E70-V83 HydrophobicContact CG-CG2 4.38Å; E70-V83 PolarHBondContact N-O 3.26Å; E70-V83 PolarHBondContact O-N 3.19Å; E70-H85 IonicContact OE1-CD2 3.31Å; E70-H85 IonicContact OE1-CE1 2.81Å; E70-H85 IonicContact OE1-NE2 3.33Å; E70-H85 PolarHBondContact OE1-NE2 2.93Å
71E91.4Very high84.2Confident97 Ų9764.6 Ų64.645%0.45338%0.383SS..EExtended strand (participates in β ladder)trans-80127.8171.2-60-166.7155.600110Q115 Y119E71-Q115 PolarHBondContact OE1-NE2 3.03Å; E71-Y119 HydrophobicContact CG-CD1 4.45Å; E71-Y119 HydrophobicContact CG-CD2 3.53Å; E71-Y119 HydrophobicContact CG-CE1 4.41Å; E71-Y119 HydrophobicContact CG-CE2 3.45Å; E71-Y119 VanDerWaalsContact CG-CE2 3.45Å; E71-Y119 HydrophobicContact CG-CG 4.04Å
72Q85.9Confident84.3Confident77 Ų7764.6 Ų64.636%0.3638%0.383SS..EExtended strand (participates in β ladder)trans-95.3110.4168.1171165.783.700108.7A74 K81 V83Q72-A74 PolarHBondContact O-N 2.69Å; Q72-K81 HydrophobicContact CB-CB 4.12Å; Q72-K81 PolarHBondContact N-O 2.71Å; Q72-K81 VanDerWaalsContact OE1-CD 3.31Å; Q72-V83 HydrophobicContact CB-CG2 3.73Å
73A68.9Low84.5Confident98 Ų9862.4 Ų62.481%0.8137%0.369SS*.PPolyproline II helixtrans-52124.3177.600000110.8
74A66.1Low84.6Confident50 Ų5062.4 Ų62.441%0.41337%0.369SS..PPolyproline II helixtrans-82.9117.4176.100000109.7Q72 K78Q72-A74 PolarHBondContact O-N 2.69Å; A74-K78 HydrophobicContact CB-CB 4.31Å; A74-K78 WeakPolarHBondContact CB-O 3.48Å
75G60.3Low84.7Confident43 Ų4361.1 Ų61.144%0.44336%0.356SS..PPolyproline II helixtrans-61.8166.8165.500000111.7G77 K78G75-G77 PolarHBondContact O-N 3.41Å; G75-K78 WeakPolarHBondContact O-CB 3.29Å; G75-K78 PolarHBondContact O-N 3.04Å
76I56.3Low84.7Confident183 Ų18359.9 Ų59.994%0.93835%0.351SS*.THydrogen-bonded Turntrans-50.4124.5-179.9-56.2172.2000110.2K78I76-K78 VanDerWaalsContact C-N 3.33Å; I76-K78 PolarHBondContact O-N 3.08Å
77G63Low84.6Confident87 Ų8763.3 Ų63.390%0.89737%0.366SS*.THydrogen-bonded Turntrans79.32.8179.700000116.1G75G75-G77 PolarHBondContact O-N 3.41Å
78K77.1Confident84.4Confident156 Ų15664.1 Ų64.168%0.67838%0.377SS*.PPolyproline II helixtrans-98.5151.7174-65.1-178.2-179.71750111A74 G75 I76A74-K78 HydrophobicContact CB-CB 4.31Å; A74-K78 WeakPolarHBondContact CB-O 3.48Å; G75-K78 WeakPolarHBondContact O-CB 3.29Å; G75-K78 PolarHBondContact O-N 3.04Å; I76-K78 VanDerWaalsContact C-N 3.33Å; I76-K78 PolarHBondContact O-N 3.08Å
79S83.4Confident84Confident31 Ų3161.3 Ų61.322%0.21737%0.37CS..PPolyproline II helixtrans-77.7141.4175-52.60000110.8F110 K111S79-F110 WeakPolarHBondContact CB-O 3.34Å; S79-K111 WeakPolarHBondContact OG-CD 3.12Å; S79-K111 PolarHBondContact OG-NZ 3.14Å
80A90.3Very high83.3Confident32 Ų3262.7 Ų62.726%0.26438%0.382SS..EExtended strand (participates in β ladder)trans-58143.5172.600000110.8F110 Q115A80-F110 PolarHBondContact O-N 2.93Å; A80-Q115 HydrophobicContact CB-CB 3.93Å; A80-Q115 HydrophobicContact CB-CG 3.86Å
81K93.9Very high82.4Confident44 Ų4463.5 Ų63.519%0.19140%0.403CS..EExtended strand (participates in β ladder)trans-135140.3-177.9-70.1172.6-170.6171.20111.1Q72 K107 L108Q72-K81 HydrophobicContact CB-CB 4.12Å; Q72-K81 PolarHBondContact N-O 2.71Å; Q72-K81 VanDerWaalsContact OE1-CD 3.31Å; K81-K107 HydrophobicContact CD-CD 4.36Å; K81-L108 CarbonylContact C-O 3.56Å; K81-L108 WeakPolarHBondContact CA-O 3.41Å
82I96.1Very high81.7Confident0 Ų066.6 Ų66.60%042%0.423CS..EExtended strand (participates in β ladder)trans-104.7123.6164.8-58.9174.2000107F69 I84 K107 L108 F110 Q115 F118 Y119F69-I82 HydrophobicContact CB-CG2 4.29Å; F69-I82 HydrophobicContact CD2-CG2 4.13Å; I82-I84 HydrophobicContact CG2-CG1 3.98Å; I82-K107 CarbonylContact O-C 3.46Å; I82-K107 VanDerWaalsContact O-CA 3.31Å; I82-K107 WeakPolarHBondContact O-CA 3.43Å; I82-L108 HydrophobicContact CB-CB 4.41Å; I82-L108 PolarHBondContact N-O 3.15Å; I82-L108 PolarHBondContact O-N 2.91Å; I82-F110 HydrophobicContact CB-CE2 4.15Å; I82-F110 HydrophobicContact CD1-CE2 3.54Å; I82-F110 HydrophobicContact CD1-CZ 3.61Å; I82-F110 HydrophobicContact CG1-CD2 4.49Å; I82-F110 HydrophobicContact CG1-CE2 3.62Å; I82-F110 HydrophobicContact CG1-CZ 4.23Å; I82-Q115 HydrophobicContact CD1-CG 4.14Å; I82-Q115 HydrophobicContact CG1-CG 3.86Å; I82-F118 HydrophobicContact CD1-CD1 4.02Å; I82-Y119 HydrophobicContact CD1-CD2 3.97Å; I82-Y119 HydrophobicContact CD1-CG 4.38Å; I82-Y119 HydrophobicContact CG1-CD2 4.01Å; I82-Y119 HydrophobicContact CG2-CD2 4.12Å
83V96.3Very high81.4Confident6 Ų665.5 Ų65.54%0.03642%0.417CS..EExtended strand (participates in β ladder)trans-93.6125.8174.1-171.70000107.5F69 E70 Q72 F105 K107F69-V83 CarbonylContact C-O 3.51Å; F69-V83 WeakPolarHBondContact CA-O 3.38Å; F69-V83 VanDerWaalsContact CB-O 3.25Å; F69-V83 WeakPolarHBondContact CB-O 3.37Å; E70-V83 HydrophobicContact CG-CB 3.87Å; E70-V83 HydrophobicContact CG-CG2 4.38Å; E70-V83 PolarHBondContact N-O 3.26Å; E70-V83 PolarHBondContact O-N 3.19Å; Q72-V83 HydrophobicContact CB-CG2 3.73Å; V83-F105 HydrophobicContact CG1-CB 4.23Å; V83-F105 HydrophobicContact CG1-CD2 3.61Å; V83-F105 HydrophobicContact CG1-CE2 4.3Å; V83-F105 HydrophobicContact CG1-CG 4.13Å; V83-K107 HydrophobicContact CB-CG 4.49Å; V83-K107 HydrophobicContact CG1-CG 4.3Å; V83-K107 HydrophobicContact CG2-CD 4.27Å; V83-K107 HydrophobicContact CG2-CG 4.1Å
84I96.4Very high82.1Confident0 Ų067.2 Ų67.20%041%0.408CS..EExtended strand (participates in β ladder)trans-118.2114.8-177.6-53.8179000108L47 I66 F69 I82 L86 F105 I106 L108 L122L47-I84 HydrophobicContact CD2-CD1 3.77Å; I66-I84 HydrophobicContact CB-CG2 4.21Å; I66-I84 HydrophobicContact CD1-CG2 3.78Å; I66-I84 HydrophobicContact CG1-CG2 3.65Å; I66-I84 HydrophobicContact CG2-CG2 3.69Å; F69-I84 HydrophobicContact CB-CB 4.37Å; F69-I84 HydrophobicContact CB-CG1 4.06Å; F69-I84 HydrophobicContact CB-CG2 4.42Å; I82-I84 HydrophobicContact CG2-CG1 3.98Å; I84-L86 HydrophobicContact CG2-CD2 3.63Å; I84-F105 CarbonylContact O-C 3.53Å; I84-F105 WeakPolarHBondContact O-CA 3.45Å; I84-F105 VanDerWaalsContact O-CB 3.3Å; I84-F105 WeakPolarHBondContact O-CB 3.27Å; I84-I106 HydrophobicContact CB-CD1 4.36Å; I84-I106 HydrophobicContact CB-CG1 3.81Å; I84-I106 HydrophobicContact CD1-CD1 4.4Å; I84-I106 PolarHBondContact N-O 3.11Å; I84-I106 PolarHBondContact O-N 3.08Å; I84-L108 HydrophobicContact CD1-CD1 3.72Å; I84-L108 HydrophobicContact CD1-CG 3.87Å; I84-L122 HydrophobicContact CD1-CD2 4.27Å
85H94Very high82.9Confident31 Ų3169.2 Ų69.214%0.14442%0.417CS..EExtended strand (participates in β ladder)trans-90.3131.5178.8-64.4-94.2000109.7I67 F68 E70 F105I67-H85 PolarHBondContact N-O 3.15Å; F68-H85 HydrophobicContact CD1-CB 3.79Å; F68-H85 AromaticContact CD2-CD2 3.74Å; F68-H85 HydrophobicContact CE1-CB 3.52Å; F68-H85 AromaticContact CE1-CD2 3.85Å; F68-H85 AromaticContact CE1-CG 3.59Å; F68-H85 HydrophobicContact CE2-CB 4.36Å; F68-H85 AromaticContact CE2-CD2 3.13Å; F68-H85 WeakPolarHBondContact CE2-CD2 3.26Å; F68-H85 AromaticContact CE2-CG 3.78Å; F68-H85 AromaticContact CE2-NE2 3.49Å; F68-H85 WeakPolarHBondContact CE2-NE2 3.18Å; F68-H85 HydrophobicContact CG-CB 4.31Å; F68-H85 HydrophobicContact CZ-CB 3.84Å; F68-H85 AromaticContact CZ-CD2 3.2Å; F68-H85 WeakPolarHBondContact CZ-CD2 3.42Å; F68-H85 AromaticContact CZ-CE1 3.82Å; F68-H85 AromaticContact CZ-CG 3.34Å; F68-H85 AromaticContact CZ-ND1 3.77Å; F68-H85 AromaticContact CZ-NE2 3.51Å; F68-H85 PolarHBondContact O-N 3.48Å; E70-H85 IonicContact OE1-CD2 3.31Å; E70-H85 IonicContact OE1-CE1 2.81Å; E70-H85 IonicContact OE1-NE2 3.33Å; E70-H85 PolarHBondContact OE1-NE2 2.93Å; H85-F105 HydrophobicContact CB-CB 4.49Å
86L93.6Very high84.1Confident5 Ų567.9 Ų67.93%0.02640%0.403CS..EExtended strand (participates in β ladder)trans-121.2150.8-165.1-55.6176.9000111.9R3 M61 Q65 I66 I67 I84 S104 I106R3-L86 HydrophobicContact CB-CD1 4.22Å; R3-L86 HydrophobicContact CG-CD1 4.41Å; M61-L86 HydrophobicContact CE-CD1 4.48Å; M61-L86 HydrophobicContact CE-CD2 3.5Å; M61-L86 HydrophobicContact SD-CD1 3.71Å; M61-L86 HydrophobicContact SD-CD2 3.68Å; M61-L86 HydrophobicContact SD-CG 4.32Å; Q65-L86 CarbonylContact O-C 3.55Å; Q65-L86 VanDerWaalsContact O-CA 3.24Å; Q65-L86 WeakPolarHBondContact O-CA 3.23Å; I66-L86 HydrophobicContact CG1-CD2 3.94Å; I67-L86 VanDerWaalsContact CD1-C 3.5Å; I67-L86 WeakPolarHBondContact CD1-O 3.36Å; I84-L86 HydrophobicContact CG2-CD2 3.63Å; L86-S104 PolarHBondContact N-O 2.89Å; L86-I106 HydrophobicContact CD1-CD1 4.26Å; L86-I106 HydrophobicContact CD1-CG1 4.16Å; L86-I106 HydrophobicContact CD1-CG2 3.82Å
87H90.2Very high85.4Confident86 Ų8661 Ų6140%0.39837%0.371SS..PPolyproline II helixtrans-62.9158.1165.9-76.6-69.8000111.4R3 Q65R3-H87 PolarHBondContact NE-O 2.94Å; Q65-H87 PolarHBondContact O-N 3.41Å
88P87.4Confident86.4Confident105 Ų10559 Ų5968%0.68234%0.337SS*.PPolyproline II helixtrans-54.4147.5171.5-24.434.4000111.7
89S84.6Confident86.7Confident42 Ų4260 Ų6029%0.29434%0.343SS..PPolyproline II helixtrans-60.8128.1-178.5-162.80000111D2D2-S89 PolarHBondContact O-OG 3.11Å
90P80.4Confident86.7Confident56 Ų5665.2 Ų65.236%0.36437%0.369SS..PPolyproline II helixtrans-68.1140.817921.1-25.5000111.3N92 K93P90-N92 VanDerWaalsContact C-N 3.26Å; P90-N92 PolarHBondContact O-N 2.86Å; P90-K93 HydrophobicContact CG-CB 4.13Å; P90-K93 HydrophobicContact CG-CG 4.42Å; P90-K93 VanDerWaalsContact O-CB 3.32Å; P90-K93 WeakPolarHBondContact O-CB 3.41Å; P90-K93 PolarHBondContact O-N 2.84Å
91A74.1Confident86.5Confident104 Ų10464.7 Ų64.786%0.8636%0.363SS*.THydrogen-bonded Turntrans-63.5-27.9-175.300000114.1
92N76.7Confident86.3Confident162 Ų16272.4 Ų72.487%0.86640%0.397SS*.THydrogen-bonded Turntrans-100.329.7-177.2-63.8-18.4000112.8P90P90-N92 VanDerWaalsContact C-N 3.26Å; P90-N92 PolarHBondContact O-N 2.86Å
93K81.1Confident86.1Confident55 Ų5575.6 Ų75.624%0.23941%0.409CS..PPolyproline II helixtrans-80.3139.1-174.5-168.3-163.4147.7-134.40111.9D2 R3 F4 P90D2-K93 WeakPolarHBondContact O-CD 3.36Å; D2-K93 WeakPolarHBondContact O-CE 3.44Å; D2-K93 PolarHBondContact O-NZ 3.27Å; R3-K93 VanDerWaalsContact C-CE 3.44Å; R3-K93 VanDerWaalsContact O-CE 3.28Å; R3-K93 WeakPolarHBondContact O-CE 3.4Å; F4-K93 VanDerWaalsContact C-NZ 3.31Å; F4-K93 VanDerWaalsContact O-CE 3.29Å; F4-K93 WeakPolarHBondContact O-CE 3.34Å; F4-K93 PolarHBondContact O-NZ 3.45Å; P90-K93 HydrophobicContact CG-CB 4.13Å; P90-K93 HydrophobicContact CG-CG 4.42Å; P90-K93 VanDerWaalsContact O-CB 3.32Å; P90-K93 WeakPolarHBondContact O-CB 3.41Å; P90-K93 PolarHBondContact O-N 2.84Å
94E82.9Confident85.9Confident134 Ų13478.6 Ų78.663%0.62643%0.43SS*.PPolyproline II helixtrans-56.7148.2167.7-67.2-59.3142.700112.8
95P83.9Confident85.8Confident91 Ų9180.1 Ų80.159%0.59144%0.437SS*.PPolyproline II helixtrans-63146.7-176.726.1-33.5000111.6S5 W6S5-P95 WeakPolarHBondContact CA-O 3.41Å; W6-P95 VanDerWaalsContact CD1-O 3.3Å; W6-P95 PolarHBondContact N-O 3.44Å
96G84.8Confident85.9Confident15 Ų1578.6 Ų78.616%0.15543%0.43CS..  trans-144.5179.2179.700000112.6F4 Y98F4-G96 WeakPolarHBondContact O-CA 3.34Å; G96-Y98 PolarHBondContact O-N 2.81Å
97P83Confident86Confident40 Ų4078.8 Ų78.826%0.2643%0.431SS..SBendtrans-64.9-21.7-175.120.3-28.9000114W6 M59W6-P97 HydrophobicContact CH2-CB 3.88Å; W6-P97 HydrophobicContact CH2-CG 4.31Å; W6-P97 HydrophobicContact CZ2-CB 3.67Å; W6-P97 HydrophobicContact CZ2-CG 4.27Å; M59-P97 HydrophobicContact CE-CB 4.44Å; M59-P97 HydrophobicContact CE-CG 3.73Å; M59-P97 HydrophobicContact SD-CG 3.68Å
98Y84.5Confident86.2Confident45 Ų4574.8 Ų74.818%0.17641%0.412CS..  trans-123.6125.2177-63.1-95.9000108.7M1 D2 A33 K34 L35 G96M1-Y98 HydrophobicContact CB-CD1 4.34Å; M1-Y98 HydrophobicContact CB-CD2 3.81Å; M1-Y98 HydrophobicContact CB-CE2 4.33Å; M1-Y98 HydrophobicContact CB-CG 3.84Å; M1-Y98 HydrophobicContact CE-CD2 3.99Å; M1-Y98 HydrophobicContact CE-CE2 3.73Å; D2-Y98 WeakPolarHBondContact CA-O 3.27Å; A33-Y98 WeakPolarHBondContact CA-OH 3.29Å; A33-Y98 WeakPolarHBondContact CB-OH 3.49Å; K34-Y98 PolarHBondContact N-OH 2.96Å; L35-Y98 HydrophobicContact CD1-CE2 4.27Å; G96-Y98 PolarHBondContact O-N 2.81Å
99Q82.8Confident86.6Confident176 Ų17669.8 Ų69.882%0.82238%0.38SS*.SBendtrans-82.4-40.6178.4-69.6167.615.400111.5
100N83.8Confident87Confident141 Ų14168.1 Ų68.175%0.75437%0.367SS*.  trans-134.9146.2177.6-76.4-28.7000109.8
101S87Confident87.5Confident21 Ų2170 Ų7015%0.14737%0.37CS..  trans-127.5140.8168.5-1800000109.5M1 D2 D28 Y103M1-S101 PolarHBondContact N-OG 2.7Å; D2-S101 WeakPolarHBondContact OD1-CB 3.47Å; D28-S101 PolarHBondContact OD1-OG 3.33Å; D28-S101 WeakPolarHBondContact OD2-CB 3.26Å; D28-S101 PolarHBondContact OD2-OG 2.87Å; S101-Y103 PolarHBondContact OG-N 3.34Å; S101-Y103 VanDerWaalsContact OG-N 3.12Å; S101-Y103 PolarHBondContact OG-O 3.26Å
102K89.6Confident88Confident205 Ų20569.8 Ų69.889%0.89135%0.351SS*.SBendtrans-79.4-11.4173.2-60-179.6-176.9178.20112.3
103Y91.4Very high88.2Confident67 Ų6771 Ų7126%0.26335%0.351SS..  trans-106.2146.3-172.8-61.9-80.9000111.7R3 D28 S101 F105R3-Y103 PolarHBondContact NH1-O 2.85Å; D28-Y103 WeakPolarHBondContact O-CD2 3.27Å; S101-Y103 PolarHBondContact OG-N 3.34Å; S101-Y103 VanDerWaalsContact OG-N 3.12Å; S101-Y103 PolarHBondContact OG-O 3.26Å; Y103-F105 VanDerWaalsContact C-N 3.32Å; Y103-F105 HydrophobicContact CD1-CE1 4.08Å; Y103-F105 HydrophobicContact CD1-CZ 4.24Å
104S92.2Very high88.6Confident69 Ų6969.5 Ų69.548%0.48335%0.351SS..SBendtrans-85.6-3.7172.3540000113.1L86L86-S104 PolarHBondContact N-O 2.89Å
105F93.8Very high89.1Confident32 Ų3264.1 Ų64.114%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-136.7162.4-175.966.6-87.4000112.6G29 V83 I84 H85 Y103 K107G29-F105 WeakPolarHBondContact CA-O 3.42Å; G29-F105 PolarHBondContact N-O 2.98Å; G29-F105 WeakPolarHBondContact O-CE2 3.49Å; V83-F105 HydrophobicContact CG1-CB 4.23Å; V83-F105 HydrophobicContact CG1-CD2 3.61Å; V83-F105 HydrophobicContact CG1-CE2 4.3Å; V83-F105 HydrophobicContact CG1-CG 4.13Å; I84-F105 CarbonylContact O-C 3.53Å; I84-F105 WeakPolarHBondContact O-CA 3.45Å; I84-F105 VanDerWaalsContact O-CB 3.3Å; I84-F105 WeakPolarHBondContact O-CB 3.27Å; H85-F105 HydrophobicContact CB-CB 4.49Å; Y103-F105 VanDerWaalsContact C-N 3.32Å; Y103-F105 HydrophobicContact CD1-CE1 4.08Å; Y103-F105 HydrophobicContact CD1-CZ 4.24Å; F105-K107 HydrophobicContact CD2-CG 4.3Å; F105-K107 HydrophobicContact CE2-CD 4.43Å; F105-K107 HydrophobicContact CE2-CG 4.34Å
106I95.7Very high89.4Confident0 Ų065.9 Ų65.90%033%0.329CS..EExtended strand (participates in β ladder)trans-125.1163.7172.363.6172.8000109.4M1 F4 Y27 L47 I84 L86M1-I106 HydrophobicContact CG-CG2 3.86Å; M1-I106 HydrophobicContact SD-CB 4.28Å; M1-I106 HydrophobicContact SD-CG2 3.68Å; F4-I106 HydrophobicContact CE2-CD1 3.49Å; F4-I106 VanDerWaalsContact CE2-CD1 3.49Å; F4-I106 HydrophobicContact CZ-CD1 3.8Å; Y27-I106 WeakPolarHBondContact O-CA 3.26Å; Y27-I106 WeakPolarHBondContact O-CB 3.39Å; L47-I106 HydrophobicContact CD2-CD1 4.41Å; I84-I106 HydrophobicContact CB-CD1 4.36Å; I84-I106 HydrophobicContact CB-CG1 3.81Å; I84-I106 HydrophobicContact CD1-CD1 4.4Å; I84-I106 PolarHBondContact N-O 3.11Å; I84-I106 PolarHBondContact O-N 3.08Å; L86-I106 HydrophobicContact CD1-CD1 4.26Å; L86-I106 HydrophobicContact CD1-CG1 4.16Å; L86-I106 HydrophobicContact CD1-CG2 3.82Å
107K95.6Very high89.8Confident9 Ų968.3 Ų68.34%0.03934%0.337CS..EExtended strand (participates in β ladder)trans-125.9134.3171.3-48.9175.8162.9153.70112.1L26 Y27 G29 D30 K81 I82 V83 F105L26-K107 CarbonylContact C-O 3.58Å; L26-K107 WeakPolarHBondContact CA-O 3.35Å; Y27-K107 HydrophobicContact CD2-CB 4.41Å; Y27-K107 HydrophobicContact CG-CB 4.36Å; Y27-K107 PolarHBondContact N-O 2.85Å; Y27-K107 PolarHBondContact O-N 3.32Å; Y27-K107 VanDerWaalsContact O-N 3.15Å; G29-K107 WeakPolarHBondContact O-CD 3.44Å; D30-K107 IonicContact OD1-NZ 3.89Å; D30-K107 PolarHBondContact OD1-NZ 3.19Å; K81-K107 HydrophobicContact CD-CD 4.36Å; I82-K107 CarbonylContact O-C 3.46Å; I82-K107 VanDerWaalsContact O-CA 3.31Å; I82-K107 WeakPolarHBondContact O-CA 3.43Å; V83-K107 HydrophobicContact CB-CG 4.49Å; V83-K107 HydrophobicContact CG1-CG 4.3Å; V83-K107 HydrophobicContact CG2-CD 4.27Å; V83-K107 HydrophobicContact CG2-CG 4.1Å; F105-K107 HydrophobicContact CD2-CG 4.3Å; F105-K107 HydrophobicContact CE2-CD 4.43Å; F105-K107 HydrophobicContact CE2-CG 4.34Å
108L96Very high90.4Very high1 Ų166.4 Ų66.41%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-94.1110.8166.5-55-174.1000108V24 L26 L47 K81 I82 I84 F110 F118V24-L108 HydrophobicContact CG1-CB 4.02Å; V24-L108 HydrophobicContact CG1-CD2 4.41Å; L26-L108 HydrophobicContact CD2-CD2 3.2Å; L47-L108 HydrophobicContact CD1-CD1 4.32Å; L47-L108 HydrophobicContact CD2-CD1 4.27Å; L47-L108 HydrophobicContact CD2-CD2 4.41Å; K81-L108 CarbonylContact C-O 3.56Å; K81-L108 WeakPolarHBondContact CA-O 3.41Å; I82-L108 HydrophobicContact CB-CB 4.41Å; I82-L108 PolarHBondContact N-O 3.15Å; I82-L108 PolarHBondContact O-N 2.91Å; I84-L108 HydrophobicContact CD1-CD1 3.72Å; I84-L108 HydrophobicContact CD1-CG 3.87Å; L108-F110 HydrophobicContact CB-CD2 4.48Å; L108-F110 HydrophobicContact CB-CE2 3.64Å; L108-F110 HydrophobicContact CB-CZ 4.04Å; L108-F110 HydrophobicContact CD1-CZ 4.38Å; L108-F110 WeakPolarHBondContact O-CD2 3.47Å; L108-F110 WeakPolarHBondContact O-CE2 3.26Å; L108-F118 HydrophobicContact CD1-CD1 4.35Å; L108-F118 HydrophobicContact CD1-CE1 3.65Å; L108-F118 HydrophobicContact CD1-CZ 4.25Å
109S94.6Very high90.9Very high0 Ų067.1 Ų67.10%033%0.327CS..EExtended strand (participates in β ladder)trans-101.7116.8177.7-171.90000111V24 R25 K111V24-S109 WeakPolarHBondContact CA-O 3.33Å; R25-S109 PolarHBondContact N-O 3.41Å; R25-S109 PolarHBondContact O-N 2.91Å; S109-K111 PolarHBondContact O-N 2.82Å
110F93.6Very high91.4Very high7 Ų763.3 Ų63.33%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-91.6100-174.3-64.4-100.3000109.6Q21 V24 S79 A80 I82 L108 E112 Q115 F118Q21-F110 HydrophobicContact CB-CE1 4.36Å; Q21-F110 HydrophobicContact CG-CD1 3.7Å; Q21-F110 HydrophobicContact CG-CE1 3.72Å; V24-F110 HydrophobicContact CG2-CD1 3.73Å; V24-F110 HydrophobicContact CG2-CE1 3.8Å; V24-F110 HydrophobicContact CG2-CG 4.44Å; S79-F110 WeakPolarHBondContact CB-O 3.34Å; A80-F110 PolarHBondContact O-N 2.93Å; I82-F110 HydrophobicContact CB-CE2 4.15Å; I82-F110 HydrophobicContact CD1-CE2 3.54Å; I82-F110 HydrophobicContact CD1-CZ 3.61Å; I82-F110 HydrophobicContact CG1-CD2 4.49Å; I82-F110 HydrophobicContact CG1-CE2 3.62Å; I82-F110 HydrophobicContact CG1-CZ 4.23Å; L108-F110 HydrophobicContact CB-CD2 4.48Å; L108-F110 HydrophobicContact CB-CE2 3.64Å; L108-F110 HydrophobicContact CB-CZ 4.04Å; L108-F110 HydrophobicContact CD1-CZ 4.38Å; L108-F110 WeakPolarHBondContact O-CD2 3.47Å; L108-F110 WeakPolarHBondContact O-CE2 3.26Å; F110-E112 VanDerWaalsContact C-N 3.32Å; F110-Q115 HydrophobicContact CB-CB 3.9Å; F110-Q115 HydrophobicContact CD1-CB 3.94Å; F110-Q115 HydrophobicContact CD2-CB 3.63Å; F110-Q115 HydrophobicContact CD2-CG 3.68Å; F110-Q115 HydrophobicContact CE1-CB 4.39Å; F110-Q115 HydrophobicContact CE2-CB 4.14Å; F110-Q115 HydrophobicContact CE2-CG 3.93Å; F110-Q115 HydrophobicContact CG-CB 3.54Å; F110-Q115 HydrophobicContact CG-CG 4.15Å; F110-Q115 HydrophobicContact CZ-CB 4.5Å; F110-F118 HydrophobicContact CE1-CB 3.76Å; F110-F118 HydrophobicContact CE1-CD1 4.24Å; F110-F118 HydrophobicContact CE1-CD2 4.31Å; F110-F118 AromaticContact CE1-CG 3.84Å; F110-F118 HydrophobicContact CE1-CG 3.84Å; F110-F118 HydrophobicContact CZ-CB 3.95Å; F110-F118 AromaticContact CZ-CD1 3.77Å; F110-F118 HydrophobicContact CZ-CD1 3.77Å; F110-F118 HydrophobicContact CZ-CE1 4.46Å; F110-F118 AromaticContact CZ-CG 3.86Å; F110-F118 HydrophobicContact CZ-CG 3.86Å
111K89.7Confident92Very high96 Ų9660.7 Ų60.742%0.41729%0.285SS..SBendtrans-76.1-26.4175.9-56.7-53.8-177.8179.20112.1G23 V37 S79 S109G23-K111 WeakPolarHBondContact O-CA 3.43Å; G23-K111 WeakPolarHBondContact O-CB 3.2Å; G23-K111 WeakPolarHBondContact O-CG 3.35Å; G23-K111 PolarHBondContact O-N 2.92Å; V37-K111 HydrophobicContact CG1-CG 4.43Å; V37-K111 HydrophobicContact CG2-CG 4.29Å; S79-K111 WeakPolarHBondContact OG-CD 3.12Å; S79-K111 PolarHBondContact OG-NZ 3.14Å; S109-K111 PolarHBondContact O-N 2.82Å
112E84.6Confident92.4Very high99 Ų9959.7 Ų59.746%0.46328%0.278SS..SBendtrans-108.6146.6170.5-66167.2-15800108R22 F110R22-E112 VanDerWaalsContact CB-OE2 3.28Å; R22-E112 WeakPolarHBondContact CB-OE2 3.34Å; F110-E112 VanDerWaalsContact C-N 3.32Å
113H82.9Confident92.7Very high188 Ų18852.3 Ų52.387%0.8725%0.25SS*.SBendtrans-50.4158.2175.4-4787.1000111.4Q21Q21-H113 PolarHBondContact NE2-O 2.88Å; Q21-H113 PolarHBondContact OE1-O 2.82Å
114G88.4Confident92.8Very high24 Ų2452 Ų5225%0.24725%0.251CS..  trans123.1-0.1178.600000114.7I116 E117 F118G114-I116 VanDerWaalsContact C-N 3.29Å; G114-I116 PolarHBondContact O-N 3Å; G114-E117 PolarHBondContact O-N 2.83Å; G114-F118 WeakPolarHBondContact O-CB 3.49Å; G114-F118 PolarHBondContact O-N 2.88Å
115Q92.8Very high92.8Very high20 Ų2048.8 Ų48.89%0.09323%0.228CC..Hα-helixtrans-53.8-44.1172175.7-84-22.600112.4E71 A80 I82 F110 F118 Y119E71-Q115 PolarHBondContact OE1-NE2 3.03Å; A80-Q115 HydrophobicContact CB-CB 3.93Å; A80-Q115 HydrophobicContact CB-CG 3.86Å; I82-Q115 HydrophobicContact CD1-CG 4.14Å; I82-Q115 HydrophobicContact CG1-CG 3.86Å; F110-Q115 HydrophobicContact CB-CB 3.9Å; F110-Q115 HydrophobicContact CD1-CB 3.94Å; F110-Q115 HydrophobicContact CD2-CB 3.63Å; F110-Q115 HydrophobicContact CD2-CG 3.68Å; F110-Q115 HydrophobicContact CE1-CB 4.39Å; F110-Q115 HydrophobicContact CE2-CB 4.14Å; F110-Q115 HydrophobicContact CE2-CG 3.93Å; F110-Q115 HydrophobicContact CG-CB 3.54Å; F110-Q115 HydrophobicContact CG-CG 4.15Å; F110-Q115 HydrophobicContact CZ-CB 4.5Å; Q115-F118 PolarHBondContact O-N 3.19Å; Q115-Y119 WeakPolarHBondContact O-CB 3.48Å; Q115-Y119 PolarHBondContact O-N 2.89Å
116I90.3Very high92.7Very high128 Ų12848.8 Ų48.866%0.65623%0.229SC*.Hα-helixtrans-61.1-50.3-177-60.6173.7000110.5G114 Y119 R120G114-I116 VanDerWaalsContact C-N 3.29Å; G114-I116 PolarHBondContact O-N 3Å; I116-Y119 PolarHBondContact O-N 2.79Å; I116-R120 WeakPolarHBondContact O-CB 3.14Å; I116-R120 PolarHBondContact O-N 3.19Å
117E93.4Very high92.4Very high67 Ų6754 Ų5431%0.31326%0.261SS..Hα-helixtrans-67.4-39.7179.5179.660.9-16600111.2I19 G114 Y119 R120 R121I19-E117 HydrophobicContact CD1-CB 4.37Å; I19-E117 HydrophobicContact CD1-CG 3.55Å; G114-E117 PolarHBondContact O-N 2.83Å; E117-Y119 PolarHBondContact O-N 3Å; E117-R120 PolarHBondContact O-N 2.9Å; E117-R120 IonicContact OE1-CZ 3.85Å; E117-R120 IonicContact OE1-NE 3.81Å; E117-R120 IonicContact OE1-NH2 3.37Å; E117-R120 PolarHBondContact OE1-NH2 2.94Å; E117-R120 IonicContact OE2-CZ 3.79Å; E117-R120 IonicContact OE2-NE 2.61Å; E117-R120 PolarHBondContact OE2-NE 3.14Å; E117-R120 IonicContact OE2-NH2 2.96Å; E117-R120 PolarHBondContact OE2-NH2 3.13Å; E117-R121 VanDerWaalsContact O-CG 3.29Å; E117-R121 WeakPolarHBondContact O-CG 3.45Å; E117-R121 PolarHBondContact O-N 3.11Å; E117-R121 IonicContact OE1-CZ 3.44Å; E117-R121 IonicContact OE1-NE 2.81Å; E117-R121 PolarHBondContact OE1-NE 3.27Å; E117-R121 IonicContact OE1-NH2 2.7Å
118F95.2Very high92Very high0 Ų058 Ų580%028%0.28CS..Hα-helixtrans-62.6-42.8176.2-163.8-82.2000111.9I19 Q21 A40 L42 L47 I82 L108 F110 G114 Q115 R121 L122I19-F118 HydrophobicContact CG2-CD2 3.84Å; I19-F118 HydrophobicContact CG2-CE2 4.05Å; Q21-F118 HydrophobicContact CB-CD2 3.72Å; Q21-F118 HydrophobicContact CB-CE2 4.24Å; A40-F118 HydrophobicContact CB-CE2 3.92Å; A40-F118 HydrophobicContact CB-CZ 3.99Å; L42-F118 HydrophobicContact CB-CE2 4.14Å; L42-F118 HydrophobicContact CB-CZ 3.99Å; L47-F118 HydrophobicContact CD1-CE1 4.21Å; L47-F118 HydrophobicContact CD1-CZ 3.77Å; I82-F118 HydrophobicContact CD1-CD1 4.02Å; L108-F118 HydrophobicContact CD1-CD1 4.35Å; L108-F118 HydrophobicContact CD1-CE1 3.65Å; L108-F118 HydrophobicContact CD1-CZ 4.25Å; F110-F118 HydrophobicContact CE1-CB 3.76Å; F110-F118 HydrophobicContact CE1-CD1 4.24Å; F110-F118 HydrophobicContact CE1-CD2 4.31Å; F110-F118 AromaticContact CE1-CG 3.84Å; F110-F118 HydrophobicContact CE1-CG 3.84Å; F110-F118 HydrophobicContact CZ-CB 3.95Å; F110-F118 AromaticContact CZ-CD1 3.77Å; F110-F118 HydrophobicContact CZ-CD1 3.77Å; F110-F118 HydrophobicContact CZ-CE1 4.46Å; F110-F118 AromaticContact CZ-CG 3.86Å; F110-F118 HydrophobicContact CZ-CG 3.86Å; G114-F118 WeakPolarHBondContact O-CB 3.49Å; G114-F118 PolarHBondContact O-N 2.88Å; Q115-F118 PolarHBondContact O-N 3.19Å; F118-R121 PolarHBondContact O-N 3.49Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 PolarHBondContact O-N 3.5Å
119Y94.8Very high91.6Very high60 Ų6062.1 Ų62.124%0.23530%0.298CS..Hα-helixtrans-62.1-45.3176.1-173.8-86.4000111.4F69 E71 I82 Q115 I116 E117 R121 L122 T123F69-Y119 AromaticContact CD2-CD2 3.75Å; F69-Y119 HydrophobicContact CD2-CD2 3.75Å; F69-Y119 AromaticContact CD2-CE2 3.32Å; F69-Y119 HydrophobicContact CD2-CE2 3.32Å; F69-Y119 AromaticContact CD2-CZ 3.89Å; F69-Y119 HydrophobicContact CE2-CD1 4.33Å; F69-Y119 AromaticContact CE2-CD2 3.7Å; F69-Y119 HydrophobicContact CE2-CD2 3.7Å; F69-Y119 HydrophobicContact CE2-CE1 4.03Å; F69-Y119 AromaticContact CE2-CE2 3.39Å; F69-Y119 HydrophobicContact CE2-CE2 3.39Å; F69-Y119 HydrophobicContact CE2-CG 4.18Å; F69-Y119 AromaticContact CE2-CZ 3.56Å; E71-Y119 HydrophobicContact CG-CD1 4.45Å; E71-Y119 HydrophobicContact CG-CD2 3.53Å; E71-Y119 HydrophobicContact CG-CE1 4.41Å; E71-Y119 HydrophobicContact CG-CE2 3.45Å; E71-Y119 VanDerWaalsContact CG-CE2 3.45Å; E71-Y119 HydrophobicContact CG-CG 4.04Å; I82-Y119 HydrophobicContact CD1-CD2 3.97Å; I82-Y119 HydrophobicContact CD1-CG 4.38Å; I82-Y119 HydrophobicContact CG1-CD2 4.01Å; I82-Y119 HydrophobicContact CG2-CD2 4.12Å; Q115-Y119 WeakPolarHBondContact O-CB 3.48Å; Q115-Y119 PolarHBondContact O-N 2.89Å; I116-Y119 PolarHBondContact O-N 2.79Å; E117-Y119 PolarHBondContact O-N 3Å; Y119-R121 PolarHBondContact O-N 3.21Å; Y119-L122 PolarHBondContact O-N 2.81Å; Y119-T123 PolarHBondContact O-N 3.4Å; Y119-T123 PolarHBondContact O-OG1 3.49Å
120R94.9Very high91.1Very high96 Ų9666.9 Ų66.936%0.36232%0.316SS..Hα-helixtrans-58.8-48.9177.3-167.6-173.872.272.44.6111.5I116 E117 T123 E124I116-R120 WeakPolarHBondContact O-CB 3.14Å; I116-R120 PolarHBondContact O-N 3.19Å; E117-R120 PolarHBondContact O-N 2.9Å; E117-R120 IonicContact OE1-CZ 3.85Å; E117-R120 IonicContact OE1-NE 3.81Å; E117-R120 IonicContact OE1-NH2 3.37Å; E117-R120 PolarHBondContact OE1-NH2 2.94Å; E117-R120 IonicContact OE2-CZ 3.79Å; E117-R120 IonicContact OE2-NE 2.61Å; E117-R120 PolarHBondContact OE2-NE 3.14Å; E117-R120 IonicContact OE2-NH2 2.96Å; E117-R120 PolarHBondContact OE2-NH2 3.13Å; R120-T123 WeakPolarHBondContact O-CB 3.48Å; R120-T123 PolarHBondContact O-N 3.31Å; R120-E124 IonicContact CZ-OE1 2.56Å; R120-E124 IonicContact NH1-OE1 3.33Å; R120-E124 PolarHBondContact NH1-OE1 3.28Å; R120-E124 IonicContact NH1-OE2 3.35Å; R120-E124 PolarHBondContact O-N 2.83Å; R120-E124 VanDerWaalsContact O-N 3.08Å
121R95.8Very high90.6Very high85 Ų8568.5 Ų68.532%0.32132%0.322SS..Hα-helixtrans-65-40.3177.8-67.3-61.7-170.61532.8112.9V18 I19 L42 E117 F118 Y119 T123 E124 E125V18-R121 HydrophobicContact CG1-CB 4.01Å; V18-R121 HydrophobicContact CG1-CG 4.34Å; I19-R121 HydrophobicContact CB-CG 4.25Å; I19-R121 HydrophobicContact CD1-CG 4.16Å; I19-R121 HydrophobicContact CG2-CB 3.82Å; I19-R121 HydrophobicContact CG2-CG 4.07Å; L42-R121 HydrophobicContact CD2-CB 3.95Å; E117-R121 VanDerWaalsContact O-CG 3.29Å; E117-R121 WeakPolarHBondContact O-CG 3.45Å; E117-R121 PolarHBondContact O-N 3.11Å; E117-R121 IonicContact OE1-CZ 3.44Å; E117-R121 IonicContact OE1-NE 2.81Å; E117-R121 PolarHBondContact OE1-NE 3.27Å; E117-R121 IonicContact OE1-NH2 2.7Å; F118-R121 PolarHBondContact O-N 3.49Å; Y119-R121 PolarHBondContact O-N 3.21Å; R121-T123 VanDerWaalsContact C-N 3.28Å; R121-T123 PolarHBondContact O-N 2.8Å; R121-E124 WeakPolarHBondContact CD-OE2 3.37Å; R121-E124 IonicContact NH1-OE2 3.5Å; R121-E124 PolarHBondContact O-N 2.92Å; R121-E125 PolarHBondContact O-N 2.78Å
122L95.2Very high90.3Very high0 Ų069.4 Ų69.40%033%0.328CS..Hα-helixtrans-61.3-40.4174.3-176.961.8000111.1L42 L63 I66 F69 I84 F118 Y119 E124 E125 I126L42-L122 HydrophobicContact CD1-CD1 3.7Å; L42-L122 HydrophobicContact CD2-CB 4.06Å; L42-L122 HydrophobicContact CD2-CD1 4.29Å; L63-L122 HydrophobicContact CD2-CD1 4.13Å; I66-L122 HydrophobicContact CD1-CD1 4.28Å; F69-L122 HydrophobicContact CD1-CD2 4.19Å; F69-L122 HydrophobicContact CD1-CG 4.36Å; F69-L122 HydrophobicContact CD2-CD2 3.82Å; F69-L122 HydrophobicContact CD2-CG 4.4Å; F69-L122 HydrophobicContact CE1-CD2 4.38Å; F69-L122 HydrophobicContact CE1-CG 4.1Å; F69-L122 HydrophobicContact CE2-CB 4.39Å; F69-L122 HydrophobicContact CE2-CD2 4.01Å; F69-L122 HydrophobicContact CE2-CG 4.13Å; F69-L122 HydrophobicContact CG-CD2 3.93Å; F69-L122 HydrophobicContact CZ-CB 4.4Å; F69-L122 HydrophobicContact CZ-CD2 4.3Å; F69-L122 HydrophobicContact CZ-CG 4Å; I84-L122 HydrophobicContact CD1-CD2 4.27Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 PolarHBondContact O-N 3.5Å; Y119-L122 PolarHBondContact O-N 2.81Å; L122-E124 PolarHBondContact O-N 2.71Å; L122-E125 PolarHBondContact O-N 3Å; L122-I126 HydrophobicContact CD1-CD1 4.38Å; L122-I126 HydrophobicContact CD1-CG1 3.99Å; L122-I126 HydrophobicContact CG-CG1 4.26Å; L122-I126 WeakPolarHBondContact O-CB 3.28Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.44Å; L122-I126 PolarHBondContact O-N 2.81Å
123T95Very high89.5Confident51 Ų5171 Ų7131%0.31334%0.339SS..Hα-helixtrans-60.3-45174.8-51.70000112.2F69 Y119 R120 R121 T127F69-T123 WeakPolarHBondContact CZ-OG1 3.35Å; Y119-T123 PolarHBondContact O-N 3.4Å; Y119-T123 PolarHBondContact O-OG1 3.49Å; R120-T123 WeakPolarHBondContact O-CB 3.48Å; R120-T123 PolarHBondContact O-N 3.31Å; R121-T123 VanDerWaalsContact C-N 3.28Å; R121-T123 PolarHBondContact O-N 2.8Å; T123-T127 WeakPolarHBondContact O-CB 3.49Å; T123-T127 PolarHBondContact O-N 2.9Å; T123-T127 PolarHBondContact O-OG1 3.05Å
124E93.5Very high88.3Confident60 Ų6064.5 Ų64.528%0.2831%0.313SS..Hα-helixtrans-59.6-48.3176.2-69.1173.7169.500111.7R120 R121 L122 T127 Q128R120-E124 IonicContact CZ-OE1 2.56Å; R120-E124 IonicContact NH1-OE1 3.33Å; R120-E124 PolarHBondContact NH1-OE1 3.28Å; R120-E124 IonicContact NH1-OE2 3.35Å; R120-E124 PolarHBondContact O-N 2.83Å; R120-E124 VanDerWaalsContact O-N 3.08Å; R121-E124 WeakPolarHBondContact CD-OE2 3.37Å; R121-E124 IonicContact NH1-OE2 3.5Å; R121-E124 PolarHBondContact O-N 2.92Å; L122-E124 PolarHBondContact O-N 2.71Å; E124-T127 PolarHBondContact O-N 3.5Å; E124-Q128 WeakPolarHBondContact O-CB 3.32Å; E124-Q128 VanDerWaalsContact O-CG 3.32Å; E124-Q128 WeakPolarHBondContact O-CG 3.34Å; E124-Q128 PolarHBondContact O-N 3.28Å
125E92.8Very high86.3Confident1 Ų168.4 Ų68.41%0.00533%0.334CS..Hα-helixtrans-68.3-40.1-178.7-67.7-51.3134.600112.9V18 L42 T44 L63 R121 L122 T127 Q128 K129 R130 W131V18-E125 HydrophobicContact CB-CG 4.36Å; V18-E125 HydrophobicContact CG1-CG 4.07Å; V18-E125 HydrophobicContact CG2-CG 3.78Å; V18-E125 WeakPolarHBondContact CG2-OE1 3.33Å; L42-E125 HydrophobicContact CD2-CG 4.13Å; L42-E125 HydrophobicContact CG-CG 4.41Å; T44-E125 WeakPolarHBondContact CA-OE2 3.16Å; T44-E125 WeakPolarHBondContact CG2-OE2 3.37Å; L63-E125 HydrophobicContact CD1-CB 4.07Å; R121-E125 PolarHBondContact O-N 2.78Å; L122-E125 PolarHBondContact O-N 3Å; E125-T127 VanDerWaalsContact C-N 3.26Å; E125-T127 PolarHBondContact O-N 3.36Å; E125-Q128 PolarHBondContact O-N 3.45Å; E125-K129 PolarHBondContact O-N 2.86Å; E125-R130 IonicContact OE1-CZ 3.17Å; E125-R130 IonicContact OE1-NE 3.15Å; E125-R130 PolarHBondContact OE1-NE 2.82Å; E125-R130 IonicContact OE1-NH2 2.84Å; E125-R130 PolarHBondContact OE1-NH2 2.84Å; E125-R130 IonicContact OE2-CZ 3.84Å; E125-R130 IonicContact OE2-NE 2.89Å; E125-R130 PolarHBondContact OE2-NE 3.33Å; E125-R130 IonicContact OE2-NH2 2.78Å; E125-W131 VanDerWaalsContact O-CZ3 3.26Å; E125-W131 WeakPolarHBondContact O-CZ3 3.36Å
126I91Very high83.8Confident32 Ų3273.5 Ų73.516%0.16437%0.366CS..Hα-helixtrans-65.2-32.8176-65-59.4000111.9L63 I66 F69 L122 K129 W131L63-I126 HydrophobicContact CB-CD1 4.09Å; I66-I126 HydrophobicContact CB-CD1 4.09Å; I66-I126 HydrophobicContact CD1-CD1 4.14Å; I66-I126 HydrophobicContact CG2-CD1 4.3Å; F69-I126 HydrophobicContact CD1-CG1 4.4Å; F69-I126 HydrophobicContact CE1-CB 4.1Å; F69-I126 HydrophobicContact CE1-CG1 3.81Å; F69-I126 HydrophobicContact CE1-CG2 4.29Å; L122-I126 HydrophobicContact CD1-CD1 4.38Å; L122-I126 HydrophobicContact CD1-CG1 3.99Å; L122-I126 HydrophobicContact CG-CG1 4.26Å; L122-I126 WeakPolarHBondContact O-CB 3.28Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.44Å; L122-I126 PolarHBondContact O-N 2.81Å; I126-K129 WeakPolarHBondContact O-CG 3.37Å; I126-W131 HydrophobicContact CD1-CH2 3.59Å; I126-W131 HydrophobicContact CD1-CZ3 4.14Å
127T89.8Confident81.3Confident110 Ų11072.9 Ų72.968%0.67537%0.374SS*.Hα-helixtrans-74.5-42.8177.2-55.80000111.7T123 E124 E125 K129T123-T127 WeakPolarHBondContact O-CB 3.49Å; T123-T127 PolarHBondContact O-N 2.9Å; T123-T127 PolarHBondContact O-OG1 3.05Å; E124-T127 PolarHBondContact O-N 3.5Å; E125-T127 VanDerWaalsContact C-N 3.26Å; E125-T127 PolarHBondContact O-N 3.36Å; T127-K129 VanDerWaalsContact C-N 3.33Å
128Q88.4Confident78.3Confident92 Ų9277.9 Ų77.943%0.4340%0.397SS..Hα-helixtrans-75.7-23.2-178.3-70.1-179.532.200113.2E124 E125 R130E124-Q128 WeakPolarHBondContact O-CB 3.32Å; E124-Q128 VanDerWaalsContact O-CG 3.32Å; E124-Q128 WeakPolarHBondContact O-CG 3.34Å; E124-Q128 PolarHBondContact O-N 3.28Å; E125-Q128 PolarHBondContact O-N 3.45Å; Q128-R130 HydrophobicContact CB-CG 3.83Å; Q128-R130 PolarHBondContact O-N 2.72Å; Q128-R130 VanDerWaalsContact O-N 3.11Å
129K86.7Confident75.8Confident89 Ų8983.3 Ų83.339%0.38743%0.432SS..THydrogen-bonded Turntrans45.445.4179.3-60.8-176.9157.4-154.70112.8E125 I126 T127 W131 E132E125-K129 PolarHBondContact O-N 2.86Å; I126-K129 WeakPolarHBondContact O-CG 3.37Å; T127-K129 VanDerWaalsContact C-N 3.33Å; K129-W131 HydrophobicContact CB-CH2 4.31Å; K129-W131 HydrophobicContact CB-CZ2 4.04Å; K129-W131 HydrophobicContact CG-CH2 4.1Å; K129-W131 HydrophobicContact CG-CZ2 3.89Å; K129-W131 PolarHBondContact O-N 3.15Å; K129-E132 HydrophobicContact CB-CG 4.15Å; K129-E132 WeakPolarHBondContact CD-OE1 3.35Å; K129-E132 WeakPolarHBondContact CD-OE2 3.2Å; K129-E132 IonicContact NZ-OE1 3.62Å; K129-E132 PolarHBondContact NZ-OE1 2.8Å; K129-E132 VanDerWaalsContact NZ-OE1 3.15Å; K129-E132 IonicContact NZ-OE2 3.78Å; K129-E132 WeakPolarHBondContact O-CB 3.49Å; K129-E132 PolarHBondContact O-N 3.46Å
130R84.7Confident72.9Confident99 Ų9988.2 Ų88.237%0.37446%0.461SS..G310 helixtrans-58.3-26-170.1-59-163.8-136.3-148.9-5.2113.2E125 Q128 E132 N133E125-R130 IonicContact OE1-CZ 3.17Å; E125-R130 IonicContact OE1-NE 3.15Å; E125-R130 PolarHBondContact OE1-NE 2.82Å; E125-R130 IonicContact OE1-NH2 2.84Å; E125-R130 PolarHBondContact OE1-NH2 2.84Å; E125-R130 IonicContact OE2-CZ 3.84Å; E125-R130 IonicContact OE2-NE 2.89Å; E125-R130 PolarHBondContact OE2-NE 3.33Å; E125-R130 IonicContact OE2-NH2 2.78Å; Q128-R130 HydrophobicContact CB-CG 3.83Å; Q128-R130 PolarHBondContact O-N 2.72Å; Q128-R130 VanDerWaalsContact O-N 3.11Å; R130-E132 PolarHBondContact O-N 2.85Å; R130-N133 PolarHBondContact O-N 3.12Å; R130-N133 VanDerWaalsContact O-N 3.16Å
131W83.7Confident70Confident41 Ų4188.9 Ų88.916%0.15548%0.48CS..G310 helixtrans-63.9-18173.66580.7000114.8H45 L63 E125 I126 K129H45-W131 HydrophobicContact CB-CB 4.39Å; L63-W131 HydrophobicContact CB-CD2 4.16Å; L63-W131 HydrophobicContact CB-CE3 3.63Å; L63-W131 HydrophobicContact CB-CH2 3.74Å; L63-W131 HydrophobicContact CB-CZ2 4.29Å; L63-W131 HydrophobicContact CB-CZ3 3.4Å; L63-W131 VanDerWaalsContact CB-CZ3 3.4Å; L63-W131 HydrophobicContact CD1-CE3 3.91Å; L63-W131 HydrophobicContact CD1-CZ3 3.61Å; L63-W131 HydrophobicContact CG-CE3 4.38Å; L63-W131 HydrophobicContact CG-CZ3 4.16Å; E125-W131 VanDerWaalsContact O-CZ3 3.26Å; E125-W131 WeakPolarHBondContact O-CZ3 3.36Å; I126-W131 HydrophobicContact CD1-CH2 3.59Å; I126-W131 HydrophobicContact CD1-CZ3 4.14Å; K129-W131 HydrophobicContact CB-CH2 4.31Å; K129-W131 HydrophobicContact CB-CZ2 4.04Å; K129-W131 HydrophobicContact CG-CH2 4.1Å; K129-W131 HydrophobicContact CG-CZ2 3.89Å; K129-W131 PolarHBondContact O-N 3.15Å
132E82.3Confident67Low116 Ų11691.5 Ų91.554%0.54251%0.506SS..G310 helixtrans-82.8-20.8174.8-63.9-177.9178.700112.2K129 R130K129-E132 HydrophobicContact CB-CG 4.15Å; K129-E132 WeakPolarHBondContact CD-OE1 3.35Å; K129-E132 WeakPolarHBondContact CD-OE2 3.2Å; K129-E132 IonicContact NZ-OE1 3.62Å; K129-E132 PolarHBondContact NZ-OE1 2.8Å; K129-E132 VanDerWaalsContact NZ-OE1 3.15Å; K129-E132 IonicContact NZ-OE2 3.78Å; K129-E132 WeakPolarHBondContact O-CB 3.49Å; K129-E132 PolarHBondContact O-N 3.46Å; R130-E132 PolarHBondContact O-N 2.85Å
133N68.7Low64Low131 Ų13195 Ų9570%0.70154%0.542SS*.SBendtrans-94.29.8-175.1-66.7-41.8000113.8R130 P135R130-N133 PolarHBondContact O-N 3.12Å; R130-N133 VanDerWaalsContact O-N 3.16Å; N133-P135 WeakPolarHBondContact O-CD 3.13Å
134T56.8Low61.4Low53 Ų5399.6 Ų99.633%0.32557%0.57SS.*SBendtrans-70120.7175.2-56.30000109.1H45 V136H45-T134 PolarHBondContact NE2-OG1 2.71Å; T134-V136 PolarHBondContact O-N 2.7Å
135P46.9Very low58.5Low105 Ų105100.1 Ų100.168%0.68259%0.591SS**  trans-59.8116.317721.4-29.5000109.2N133 S137N133-P135 WeakPolarHBondContact O-CD 3.13Å; P135-S137 PolarHBondContact O-N 3.44Å
136V39.5Very low56.2Low128 Ų128105.6 Ų105.678%0.77663%0.627SS**  trans-60.1110.3172.2-1780000107T134 Q138T134-V136 PolarHBondContact O-N 2.7Å; V136-Q138 PolarHBondContact O-N 2.62Å
137S37.4Very low53.6Low115 Ų115112.4 Ų112.480%0.80466%0.658SS**  trans-51113.3163.5-61.60000107.7P135P135-S137 PolarHBondContact O-N 3.44Å
138Q32.2Very low50.9Low171 Ų171113 Ų11380%0.79966%0.662SS**  trans-53.8142.6178.7-72.5-179.1-21.400110.5V136 I140V136-Q138 PolarHBondContact O-N 2.62Å; Q138-I140 PolarHBondContact O-N 2.75Å
139P41.3Very low48.4Very low114 Ų114112.1 Ų112.174%0.7468%0.677SS**  trans-65.1120.9174.526-30.7000109.2S141P139-S141 PolarHBondContact O-N 2.9Å
140I35Very low46Very low164 Ų164119.1 Ų119.184%0.84170%0.701SS**  trans-61.5112.2169.1-61.6169000106.5Q138 T142Q138-I140 PolarHBondContact O-N 2.75Å; I140-T142 PolarHBondContact O-N 2.94Å
141S33.5Very low43.8Very low109 Ų109121.6 Ų121.676%0.76273%0.728SS**  trans-59.1125.8174.4-62.80000109.5P139 G143P139-S141 PolarHBondContact O-N 2.9Å; S141-G143 VanDerWaalsContact C-N 3.29Å; S141-G143 PolarHBondContact O-N 2.79Å
142T32.4Very low41.7Very low141 Ų141130.3 Ų130.387%0.86576%0.76SS**  trans-70.784.7170.6370000109.6I140 T144I140-T142 PolarHBondContact O-N 2.94Å; T142-T144 PolarHBondContact O-N 2.94Å
143G33.2Very low39.6Very low73 Ų73129.9 Ų129.975%0.75378%0.776SS**  trans-74.7115.2165.400000110.6S141S141-G143 VanDerWaalsContact C-N 3.29Å; S141-G143 PolarHBondContact O-N 2.79Å
144T40.8Very low38.4Very low148 Ų148129.4 Ų129.491%0.90878%0.778SS**  trans-73.2122.9169.530.60000110.5T142T142-T144 PolarHBondContact O-N 2.94Å
145G31Very low37.8Very low71 Ų71128.9 Ų128.973%0.73278%0.783SS**  trans175.9130.8172.300000112.1
146P44.8Very low38.3Very low116 Ų116130 Ų13075%0.75378%0.782SS**  trans-100.5159.5-159.439.8-35000114.4
147Q36.9Very low39Very low175 Ų175129.1 Ų129.182%0.81878%0.777SS**  trans76.9139.3161-54.7-140.7-6.600115.8
148T32.5Very low39.9Very low123 Ų123125.8 Ų125.876%0.75576%0.761SS**  cis-167.4142.311.722.70000108.2
149G37.2Very low41.2Very low73 Ų73122.4 Ų122.475%0.75375%0.747SS**  trans61.998.1142.400000120.1
150R36.1Very low41.9Very low236 Ų236122.2 Ų122.289%0.89174%0.736SS**  -175.796.9122.3-103.1169.2-179.2170.92.1110.6R152R150-R152 PolarHBondContact O-N 2.8Å; R150-R152 VanDerWaalsContact O-N 3.14Å
151T38.6Very low43.6Very low151 Ų151122.6 Ų122.693%0.92673%0.727SS**  trans-63.6102.8157.580000108.5
152R39.6Very low45.3Very low224 Ų224125.1 Ų125.185%0.84572%0.724SS**  trans-128.3120.9154.2-87.5-172.9177.3175.7-1.4107.9R150 V154R150-R152 PolarHBondContact O-N 2.8Å; R150-R152 VanDerWaalsContact O-N 3.14Å; R152-V154 PolarHBondContact O-N 2.93Å
153A38.2Very low47Very low106 Ų106122.3 Ų122.388%0.87670%0.703SS**  trans-51.8104.9-178.400000111.7G155A153-G155 PolarHBondContact O-N 3.01Å
154V42.3Very low48.8Very low122 Ų122124.4 Ų124.474%0.73969%0.693SS**  trans-92.983.6157.2-1790000105.2R152R152-V154 PolarHBondContact O-N 2.93Å
155G44.8Very low50.4Low42 Ų42122.4 Ų122.443%0.43367%0.674SS.*  trans-67.1154.517900000111.6A153 V157 G158A153-G155 PolarHBondContact O-N 3.01Å; G155-V157 PolarHBondContact O-N 3.32Å; G155-G158 PolarHBondContact O-N 3.14Å
156I57Low52.5Low129 Ų129125.8 Ų125.866%0.66267%0.668SS**Hα-helixtrans-38.2-34.5175.1-68.6157.9000113.1G158 I159 E160I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.06Å; I156-I159 PolarHBondContact O-N 3.36Å; I156-E160 HydrophobicContact CG2-CG 4.12Å; I156-E160 PolarHBondContact O-N 3.44Å
157V54.8Low53.4Low109 Ų109129 Ų12966%0.66167%0.665SS**Hα-helixtrans-57.2-35.8178.4-175.70000114.3G155 R161G155-V157 PolarHBondContact O-N 3.32Å; V157-R161 WeakPolarHBondContact O-CB 3.32Å; V157-R161 PolarHBondContact O-N 2.79Å
158G54.7Low55.3Low45 Ų45127.6 Ų127.646%0.46466%0.656SS.*Hα-helixtrans-74.9-32.1179.400000113.1G155 I156 K162G155-G158 PolarHBondContact O-N 3.14Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.06Å; G158-K162 PolarHBondContact O-N 2.93Å
159I59.5Low57.4Low100 Ų100127.4 Ų127.451%0.51365%0.647SS.*Hα-helixtrans-75.3-42.4174.4-60.9175.3000109.3I156 R161 K162 I163I156-I159 PolarHBondContact O-N 3.36Å; I159-R161 PolarHBondContact O-N 3.28Å; I159-K162 PolarHBondContact O-N 2.96Å; I159-I163 HydrophobicContact CG2-CD1 3.67Å; I159-I163 HydrophobicContact CG2-CG1 4.26Å; I159-I163 WeakPolarHBondContact O-CB 3.25Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.11Å; I159-I163 PolarHBondContact O-N 3.49Å
160E57.5Low58.7Low109 Ų109127.2 Ų127.251%0.50963%0.631SS.*Hα-helixtrans-55.3-47.8173.1-81179.1150.300111.7I156 K162 I163 E164I156-E160 HydrophobicContact CG2-CG 4.12Å; I156-E160 PolarHBondContact O-N 3.44Å; E160-K162 VanDerWaalsContact C-N 3.33Å; E160-K162 PolarHBondContact O-N 2.81Å; E160-I163 PolarHBondContact O-N 3.45Å; E160-E164 VanDerWaalsContact O-CB 3.32Å; E160-E164 WeakPolarHBondContact O-CB 3.35Å; E160-E164 PolarHBondContact O-N 2.92Å
161R70.6Confident60.3Low173 Ų173120.9 Ų120.965%0.65362%0.615SS**Hα-helixtrans-61.1-40.5178-173176.4176.61663.5112.8V157 I159 E164 E165V157-R161 WeakPolarHBondContact O-CB 3.32Å; V157-R161 PolarHBondContact O-N 2.79Å; I159-R161 PolarHBondContact O-N 3.28Å; R161-E164 PolarHBondContact O-N 3.42Å; R161-E165 IonicContact NE-OE1 3.3Å; R161-E165 WeakPolarHBondContact O-CB 3.38Å; R161-E165 WeakPolarHBondContact O-CG 3.29Å; R161-E165 PolarHBondContact O-N 3.27Å
162K68.1Low62.3Low161 Ų161120.7 Ų120.770%0.760%0.602SS**Hα-helixtrans-72.4-34.4179.3-160.5173.8-174.1177.50112.3G158 I159 E160 K166G158-K162 PolarHBondContact O-N 2.93Å; I159-K162 PolarHBondContact O-N 2.96Å; E160-K162 VanDerWaalsContact C-N 3.33Å; E160-K162 PolarHBondContact O-N 2.81Å; K162-K166 WeakPolarHBondContact O-CB 3.41Å; K162-K166 PolarHBondContact O-N 2.61Å; K162-K166 VanDerWaalsContact O-N 3.11Å
163I69.2Low63.9Low83 Ų83114.3 Ų114.343%0.42658%0.584SS.*Hα-helixtrans-67.2-40.8172.3-70.1169.8000110.1I159 E160 K166 R167I159-I163 HydrophobicContact CG2-CD1 3.67Å; I159-I163 HydrophobicContact CG2-CG1 4.26Å; I159-I163 WeakPolarHBondContact O-CB 3.25Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.11Å; I159-I163 PolarHBondContact O-N 3.49Å; E160-I163 PolarHBondContact O-N 3.45Å; I163-K166 PolarHBondContact O-N 2.9Å; I163-R167 HydrophobicContact CG2-CG 4.47Å; I163-R167 WeakPolarHBondContact O-CB 3.3Å; I163-R167 VanDerWaalsContact O-CG 3.31Å; I163-R167 WeakPolarHBondContact O-CG 3.18Å; I163-R167 PolarHBondContact O-N 2.77Å
164E69.9Low65.6Low117 Ų117113 Ų11355%0.54756%0.561SS.*Hα-helixtrans-70.8-37.6179.9-165163.2-152.300112.7E160 R161 R167 K168E160-E164 VanDerWaalsContact O-CB 3.32Å; E160-E164 WeakPolarHBondContact O-CB 3.35Å; E160-E164 PolarHBondContact O-N 2.92Å; R161-E164 PolarHBondContact O-N 3.42Å; E164-R167 PolarHBondContact O-N 3.23Å; E164-K168 WeakPolarHBondContact O-CG 3.39Å; E164-K168 PolarHBondContact O-N 3.5Å
165E74.9Confident67.1Low105 Ų105110.2 Ų110.249%0.49155%0.548SS..Hα-helixtrans-62.4-44.5170.3-80.9171.5-173.400111.5R161 R167 K168 E169R161-E165 IonicContact NE-OE1 3.3Å; R161-E165 WeakPolarHBondContact O-CB 3.38Å; R161-E165 WeakPolarHBondContact O-CG 3.29Å; R161-E165 PolarHBondContact O-N 3.27Å; E165-R167 PolarHBondContact O-N 2.91Å; E165-K168 PolarHBondContact O-N 3.25Å; E165-E169 PolarHBondContact O-N 3.31Å
166K74.6Confident68.8Low143 Ų143113.1 Ų113.162%0.62255%0.55SS*.Hα-helixtrans-67.8-34176.5-159.5176.8-174.3-1760112.6K162 I163 E169 T170K162-K166 WeakPolarHBondContact O-CB 3.41Å; K162-K166 PolarHBondContact O-N 2.61Å; K162-K166 VanDerWaalsContact O-N 3.11Å; I163-K166 PolarHBondContact O-N 2.9Å; K166-E169 PolarHBondContact O-N 3.26Å; K166-T170 WeakPolarHBondContact O-CB 3.45Å; K166-T170 PolarHBondContact O-N 2.86Å; K166-T170 PolarHBondContact O-OG1 2.7Å
167R63.7Low69.8Low182 Ų182109.7 Ų109.769%0.68754%0.541SS*.Hα-helixtrans-61.8-46.6170.2-79.9-179.2-178.6-159.70.5110.9I163 E164 E165 E169 T170 D171I163-R167 HydrophobicContact CG2-CG 4.47Å; I163-R167 WeakPolarHBondContact O-CB 3.3Å; I163-R167 VanDerWaalsContact O-CG 3.31Å; I163-R167 WeakPolarHBondContact O-CG 3.18Å; I163-R167 PolarHBondContact O-N 2.77Å; E164-R167 PolarHBondContact O-N 3.23Å; E165-R167 PolarHBondContact O-N 2.91Å; R167-E169 VanDerWaalsContact C-N 3.33Å; R167-E169 PolarHBondContact O-N 3.08Å; R167-T170 PolarHBondContact O-N 3.3Å; R167-D171 VanDerWaalsContact O-CB 3.25Å; R167-D171 WeakPolarHBondContact O-CB 3.47Å; R167-D171 PolarHBondContact O-N 2.85Å
168K76.4Confident70.4Confident146 Ų146110.8 Ų110.864%0.63554%0.537SS*.Hα-helixtrans-62-39.7176.8-78179178.7175.50112.5E164 E165 K172E164-K168 WeakPolarHBondContact O-CG 3.39Å; E164-K168 PolarHBondContact O-N 3.5Å; E165-K168 PolarHBondContact O-N 3.25Å; K168-K172 VanDerWaalsContact O-CB 3.27Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 PolarHBondContact O-N 3.46Å
169E76.8Confident71.6Confident119 Ų119113.9 Ų113.956%0.55654%0.54SS*.Hα-helixtrans-65.7-42.1175-171.5178.6-16400111.8E165 K166 R167 K172 N173E165-E169 PolarHBondContact O-N 3.31Å; K166-E169 PolarHBondContact O-N 3.26Å; R167-E169 VanDerWaalsContact C-N 3.33Å; R167-E169 PolarHBondContact O-N 3.08Å; E169-K172 PolarHBondContact O-N 2.96Å; E169-N173 PolarHBondContact O-N 3.34Å
170T65.1Low72.5Confident69 Ų69113.1 Ų113.142%0.42354%0.536SS..Hα-helixtrans-68.9-40.7178.7-52.20000111.3K166 R167 K172 N173 I174K166-T170 WeakPolarHBondContact O-CB 3.45Å; K166-T170 PolarHBondContact O-N 2.86Å; K166-T170 PolarHBondContact O-OG1 2.7Å; R167-T170 PolarHBondContact O-N 3.3Å; T170-K172 VanDerWaalsContact C-N 3.34Å; T170-N173 PolarHBondContact O-N 2.87Å; T170-I174 HydrophobicContact CG2-CD1 3.89Å; T170-I174 HydrophobicContact CG2-CG1 4.42Å; T170-I174 WeakPolarHBondContact O-CB 3.33Å; T170-I174 WeakPolarHBondContact O-CG1 3.46Å; T170-I174 PolarHBondContact O-N 2.91Å
171D69.7Low73.2Confident103 Ų103112.1 Ų112.155%0.55153%0.534SS*.Hα-helixtrans-67.1-35.6176.9-159.351.4000111.6R167 S175R167-D171 VanDerWaalsContact O-CB 3.25Å; R167-D171 WeakPolarHBondContact O-CB 3.47Å; R167-D171 PolarHBondContact O-N 2.85Å; D171-S175 VanDerWaalsContact O-CB 3.25Å; D171-S175 WeakPolarHBondContact O-CB 3.5Å; D171-S175 PolarHBondContact O-N 2.89Å; D171-S175 PolarHBondContact O-OG 2.78Å
172K80.1Confident73.3Confident148 Ų148107.2 Ų107.264%0.64353%0.526SS*.Hα-helixtrans-64.7-48.2170.8-171.4-178176.8-170.20111.4K168 E169 T170 I174 S175 E176K168-K172 VanDerWaalsContact O-CB 3.27Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 PolarHBondContact O-N 3.46Å; E169-K172 PolarHBondContact O-N 2.96Å; T170-K172 VanDerWaalsContact C-N 3.34Å; K172-I174 VanDerWaalsContact C-N 3.32Å; K172-I174 PolarHBondContact O-N 3.48Å; K172-S175 PolarHBondContact O-N 2.86Å; K172-E176 WeakPolarHBondContact O-CB 3.46Å; K172-E176 PolarHBondContact O-N 3.01Å
173N74.4Confident74Confident89 Ų89104.4 Ų104.448%0.47651%0.514SS..Hα-helixtrans-64.3-36.4177.8-73.2-10.2000112.4E169 T170 A177E169-N173 PolarHBondContact O-N 3.34Å; T170-N173 PolarHBondContact O-N 2.87Å; N173-A177 WeakPolarHBondContact O-CB 3.18Å; N173-A177 PolarHBondContact O-N 2.91Å
174I72.6Confident74.4Confident78 Ų78105.7 Ų105.740%0.452%0.521SS..Hα-helixtrans-67.7-44.3174.8-73.8170.8000110.4T170 K172 E176 A177 F178T170-I174 HydrophobicContact CG2-CD1 3.89Å; T170-I174 HydrophobicContact CG2-CG1 4.42Å; T170-I174 WeakPolarHBondContact O-CB 3.33Å; T170-I174 WeakPolarHBondContact O-CG1 3.46Å; T170-I174 PolarHBondContact O-N 2.91Å; K172-I174 VanDerWaalsContact C-N 3.32Å; K172-I174 PolarHBondContact O-N 3.48Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.95Å; I174-A177 PolarHBondContact O-N 2.79Å; I174-F178 HydrophobicContact CG2-CD2 3.44Å; I174-F178 VanDerWaalsContact CG2-CD2 3.44Å; I174-F178 HydrophobicContact CG2-CE2 3.33Å; I174-F178 WeakPolarHBondContact O-CD2 3.47Å; I174-F178 PolarHBondContact O-N 2.91Å
175S74.1Confident74.5Confident64 Ų64104.9 Ų104.945%0.44852%0.519SS..Hα-helixtrans-61.8-42.7176.8-62.30000111.2D171 K172 F178 E179D171-S175 VanDerWaalsContact O-CB 3.25Å; D171-S175 WeakPolarHBondContact O-CB 3.5Å; D171-S175 PolarHBondContact O-N 2.89Å; D171-S175 PolarHBondContact O-OG 2.78Å; K172-S175 PolarHBondContact O-N 2.86Å; S175-F178 PolarHBondContact O-N 3.21Å; S175-E179 WeakPolarHBondContact O-CB 3.26Å; S175-E179 PolarHBondContact O-N 2.97Å
176E80Confident74.8Confident103 Ų103103.7 Ų103.748%0.48152%0.518SS..Hα-helixtrans-62.1-44.8174.5-170.6169-174.500111.1K172 I174 F178 E179 D180K172-E176 WeakPolarHBondContact O-CB 3.46Å; K172-E176 PolarHBondContact O-N 3.01Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.95Å; E176-F178 PolarHBondContact O-N 3.15Å; E176-E179 PolarHBondContact O-N 2.86Å; E176-D180 WeakPolarHBondContact O-CB 3.42Å; E176-D180 PolarHBondContact O-N 3.17Å
177A78.4Confident75Confident58 Ų58102.7 Ų102.748%0.47951%0.514SS..Hα-helixtrans-64.6-36.7175.800000113.5N173 I174 L181N173-A177 WeakPolarHBondContact O-CB 3.18Å; N173-A177 PolarHBondContact O-N 2.91Å; I174-A177 PolarHBondContact O-N 2.79Å; A177-L181 VanDerWaalsContact O-CB 3.31Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 PolarHBondContact O-N 3.27Å
178F67.1Low75.5Confident132 Ų13296 Ų9658%0.57950%0.498SS*.Hα-helixtrans-72-35.7174.5-83.4-62.6000112.4I174 S175 E176 D180 S182I174-F178 HydrophobicContact CG2-CD2 3.44Å; I174-F178 VanDerWaalsContact CG2-CD2 3.44Å; I174-F178 HydrophobicContact CG2-CE2 3.33Å; I174-F178 WeakPolarHBondContact O-CD2 3.47Å; I174-F178 PolarHBondContact O-N 2.91Å; S175-F178 PolarHBondContact O-N 3.21Å; E176-F178 PolarHBondContact O-N 3.15Å; F178-D180 VanDerWaalsContact C-N 3.33Å; F178-S182 VanDerWaalsContact O-CB 3.26Å; F178-S182 WeakPolarHBondContact O-CB 3.31Å; F178-S182 PolarHBondContact O-N 3.1Å; F178-S182 PolarHBondContact O-OG 2.89Å
179E80.6Confident75.4Confident110 Ų11095.4 Ų95.451%0.51450%0.495SS..Hα-helixtrans-65.4-41.1173.5-158.3-172134.800110.3S175 E176 S182 K183S175-E179 WeakPolarHBondContact O-CB 3.26Å; S175-E179 PolarHBondContact O-N 2.97Å; E176-E179 PolarHBondContact O-N 2.86Å; E179-S182 WeakPolarHBondContact O-CB 3.22Å; E179-S182 PolarHBondContact O-N 3.36Å; E179-K183 VanDerWaalsContact O-CG 3.27Å; E179-K183 WeakPolarHBondContact O-CG 3.29Å; E179-K183 PolarHBondContact O-N 3.42Å; E179-K183 WeakPolarHBondContact OE1-CE 3.49Å; E179-K183 IonicContact OE1-NZ 3.51Å; E179-K183 PolarHBondContact OE1-NZ 2.93Å
180D79.3Confident75.6Confident83 Ų8394.1 Ų94.144%0.44449%0.489SS..Hα-helixtrans-69.5-39.2176-76.3-8.3000112.7E176 F178 S182 K183 L184E176-D180 WeakPolarHBondContact O-CB 3.42Å; E176-D180 PolarHBondContact O-N 3.17Å; F178-D180 VanDerWaalsContact C-N 3.33Å; D180-S182 VanDerWaalsContact C-N 3.31Å; D180-S182 PolarHBondContact O-N 2.78Å; D180-K183 PolarHBondContact O-N 2.91Å; D180-K183 IonicContact OD1-NZ 2.71Å; D180-K183 PolarHBondContact OD1-NZ 2.79Å; D180-L184 WeakPolarHBondContact O-CB 3.47Å; D180-L184 PolarHBondContact O-N 3.04Å
181L71.3Confident75.9Confident89 Ų8994.6 Ų94.647%0.46649%0.488SS..Hα-helixtrans-64-39.8171.1-166.7151.4000110.4A177 L184 M185A177-L181 VanDerWaalsContact O-CB 3.31Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 PolarHBondContact O-N 3.27Å; L181-L184 CarbonylContact O-C 3.57Å; L181-L184 WeakPolarHBondContact O-CB 3.43Å; L181-L184 PolarHBondContact O-N 3.28Å; L181-M185 HydrophobicContact CD2-CE 4.45Å; L181-M185 HydrophobicContact CD2-CG 3.75Å; L181-M185 VanDerWaalsContact O-CG 3.26Å; L181-M185 WeakPolarHBondContact O-CG 3.41Å; L181-M185 PolarHBondContact O-N 2.83Å
182S72.4Confident76Confident69 Ų6992.2 Ų92.248%0.48348%0.476SS..Hα-helixtrans-64.3-42.5175.5-61.50000111.4F178 E179 D180 L184 M185 V186F178-S182 VanDerWaalsContact O-CB 3.26Å; F178-S182 WeakPolarHBondContact O-CB 3.31Å; F178-S182 PolarHBondContact O-N 3.1Å; F178-S182 PolarHBondContact O-OG 2.89Å; E179-S182 WeakPolarHBondContact O-CB 3.22Å; E179-S182 PolarHBondContact O-N 3.36Å; D180-S182 VanDerWaalsContact C-N 3.31Å; D180-S182 PolarHBondContact O-N 2.78Å; S182-L184 VanDerWaalsContact C-N 3.32Å; S182-L184 PolarHBondContact O-N 3.49Å; S182-M185 PolarHBondContact O-N 3.09Å; S182-V186 WeakPolarHBondContact O-CG2 3.28Å; S182-V186 PolarHBondContact O-N 3.24Å
183K83.4Confident75.9Confident102 Ų10290.5 Ų90.544%0.44347%0.471SS..Hα-helixtrans-60.3-43.1171.7-72.3165.5-170.6155.60110.7E179 D180 M185 V186 K187E179-K183 VanDerWaalsContact O-CG 3.27Å; E179-K183 WeakPolarHBondContact O-CG 3.29Å; E179-K183 PolarHBondContact O-N 3.42Å; E179-K183 WeakPolarHBondContact OE1-CE 3.49Å; E179-K183 IonicContact OE1-NZ 3.51Å; E179-K183 PolarHBondContact OE1-NZ 2.93Å; D180-K183 PolarHBondContact O-N 2.91Å; D180-K183 IonicContact OD1-NZ 2.71Å; D180-K183 PolarHBondContact OD1-NZ 2.79Å; K183-M185 PolarHBondContact O-N 2.97Å; K183-V186 PolarHBondContact O-N 3.44Å; K183-K187 WeakPolarHBondContact O-CG 3.4Å; K183-K187 PolarHBondContact O-N 3.45Å
184L78.4Confident75.9Confident110 Ų11091.3 Ų91.358%0.57648%0.475SS*.Hα-helixtrans-62.6-41.6175.9-171.872.1000111.5D180 L181 S182 K187 A188D180-L184 WeakPolarHBondContact O-CB 3.47Å; D180-L184 PolarHBondContact O-N 3.04Å; L181-L184 CarbonylContact O-C 3.57Å; L181-L184 WeakPolarHBondContact O-CB 3.43Å; L181-L184 PolarHBondContact O-N 3.28Å; S182-L184 VanDerWaalsContact C-N 3.32Å; S182-L184 PolarHBondContact O-N 3.49Å; L184-K187 PolarHBondContact O-N 3.41Å; L184-A188 WeakPolarHBondContact O-CB 3.36Å; L184-A188 PolarHBondContact O-N 3.48Å
185M71.4Confident75.9Confident100 Ų10087.9 Ų87.949%0.49346%0.457SS..Hα-helixtrans-65.8-38175.8-69.9-58.5101.700111.9L181 S182 K183 A188 K189L181-M185 HydrophobicContact CD2-CE 4.45Å; L181-M185 HydrophobicContact CD2-CG 3.75Å; L181-M185 VanDerWaalsContact O-CG 3.26Å; L181-M185 WeakPolarHBondContact O-CG 3.41Å; L181-M185 PolarHBondContact O-N 2.83Å; S182-M185 PolarHBondContact O-N 3.09Å; K183-M185 PolarHBondContact O-N 2.97Å; M185-A188 PolarHBondContact O-N 3.06Å; M185-K189 VanDerWaalsContact O-CB 3.32Å; M185-K189 WeakPolarHBondContact O-CB 3.35Å; M185-K189 PolarHBondContact O-N 3.02Å
186V80.9Confident75.7Confident80 Ų8092.4 Ų92.449%0.48547%0.465SS..Hα-helixtrans-63.4-43.8172.7171.60000110.4S182 K183 K189 E190S182-V186 WeakPolarHBondContact O-CG2 3.28Å; S182-V186 PolarHBondContact O-N 3.24Å; K183-V186 PolarHBondContact O-N 3.44Å; V186-K189 WeakPolarHBondContact O-CB 3.39Å; V186-K189 PolarHBondContact O-N 3.45Å; V186-E190 WeakPolarHBondContact O-CG 3.3Å; V186-E190 PolarHBondContact O-N 2.86Å
187K79.4Confident75.4Confident123 Ų12390.3 Ų90.354%0.53546%0.461SS..Hα-helixtrans-65-39.8175.2-68.8-48.1-173.2-168.60113.2K183 L184 K189 E190 M191K183-K187 WeakPolarHBondContact O-CG 3.4Å; K183-K187 PolarHBondContact O-N 3.45Å; L184-K187 PolarHBondContact O-N 3.41Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K187-E190 VanDerWaalsContact CD-OE2 3.28Å; K187-E190 WeakPolarHBondContact CD-OE2 3.31Å; K187-E190 IonicContact NZ-OE1 3.69Å; K187-E190 PolarHBondContact NZ-OE1 3.01Å; K187-E190 IonicContact NZ-OE2 2.81Å; K187-E190 PolarHBondContact NZ-OE2 3.36Å; K187-E190 PolarHBondContact O-N 3.25Å; K187-M191 WeakPolarHBondContact O-CB 3.1Å; K187-M191 PolarHBondContact O-N 3.27Å
188A72.8Confident75.1Confident42 Ų4290.3 Ų90.335%0.34745%0.453SS..Hα-helixtrans-63.8-40.9173.400000111L184 M185 M191 V192L184-A188 WeakPolarHBondContact O-CB 3.36Å; L184-A188 PolarHBondContact O-N 3.48Å; M185-A188 PolarHBondContact O-N 3.06Å; A188-M191 PolarHBondContact O-N 3.31Å; A188-V192 WeakPolarHBondContact O-CB 3.22Å; A188-V192 WeakPolarHBondContact O-CG2 3.16Å; A188-V192 PolarHBondContact O-N 2.69Å
189K74.8Confident75Confident132 Ų13284.3 Ų84.357%0.57443%0.427SS*.Hα-helixtrans-63.3-45.9176-173-179.3175.8-173.20112.2M185 V186 K187 M191 V192 E193M185-K189 VanDerWaalsContact O-CB 3.32Å; M185-K189 WeakPolarHBondContact O-CB 3.35Å; M185-K189 PolarHBondContact O-N 3.02Å; V186-K189 WeakPolarHBondContact O-CB 3.39Å; V186-K189 PolarHBondContact O-N 3.45Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K189-M191 VanDerWaalsContact C-N 3.29Å; K189-M191 PolarHBondContact O-N 3.35Å; K189-V192 PolarHBondContact O-N 2.9Å; K189-E193 WeakPolarHBondContact CE-OE1 3.18Å; K189-E193 WeakPolarHBondContact O-CG 3.14Å; K189-E193 PolarHBondContact O-N 3.46Å
190E80.6Confident74.5Confident93 Ų9381.9 Ų81.944%0.43542%0.423SS..Hα-helixtrans-56.3-45173.1-73.4171.9-167.700110.8V186 K187 E193 L194V186-E190 WeakPolarHBondContact O-CG 3.3Å; V186-E190 PolarHBondContact O-N 2.86Å; K187-E190 VanDerWaalsContact CD-OE2 3.28Å; K187-E190 WeakPolarHBondContact CD-OE2 3.31Å; K187-E190 IonicContact NZ-OE1 3.69Å; K187-E190 PolarHBondContact NZ-OE1 3.01Å; K187-E190 IonicContact NZ-OE2 2.81Å; K187-E190 PolarHBondContact NZ-OE2 3.36Å; K187-E190 PolarHBondContact O-N 3.25Å; E190-E193 PolarHBondContact O-N 2.79Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.4Å; E190-L194 PolarHBondContact O-N 3.43Å
191M71.6Confident74.2Confident79 Ų7984.5 Ų84.539%0.38943%0.43SS..Hα-helixtrans-66.5-37.1178.8-170.8176-82.700112.6K187 A188 K189 S195 Y220 M224K187-M191 WeakPolarHBondContact O-CB 3.1Å; K187-M191 PolarHBondContact O-N 3.27Å; A188-M191 PolarHBondContact O-N 3.31Å; K189-M191 VanDerWaalsContact C-N 3.29Å; K189-M191 PolarHBondContact O-N 3.35Å; M191-S195 WeakPolarHBondContact O-CB 3.47Å; M191-S195 PolarHBondContact O-N 2.85Å; M191-S195 PolarHBondContact O-OG 3.23Å; M191-Y220 WeakPolarHBondContact CE-OH 3.35Å; M191-Y220 HydrophobicContact SD-CE1 4.19Å; M191-Y220 PolarHBondContact SD-OH 3.25Å; M191-Y220 VanDerWaalsContact SD-OH 3.36Å; M191-M224 HydrophobicContact CG-SD 3.84Å; M191-M224 HydrophobicContact SD-SD 3.28Å
192V73Confident73.9Confident52 Ų5282 Ų8232%0.31542%0.417SS..Hα-helixtrans-68-43.2175.1171.70000111.2A188 K189 S195 R196 I226A188-V192 WeakPolarHBondContact O-CB 3.22Å; A188-V192 WeakPolarHBondContact O-CG2 3.16Å; A188-V192 PolarHBondContact O-N 2.69Å; K189-V192 PolarHBondContact O-N 2.9Å; V192-S195 WeakPolarHBondContact O-CB 3.42Å; V192-S195 PolarHBondContact O-N 3.41Å; V192-R196 WeakPolarHBondContact O-CB 3.47Å; V192-R196 PolarHBondContact O-N 3.42Å; V192-I226 HydrophobicContact CB-CD1 4.2Å; V192-I226 HydrophobicContact CG1-CD1 4.38Å; V192-I226 HydrophobicContact CG2-CD1 3.52Å; V192-I226 HydrophobicContact CG2-CG1 4.12Å
193E77.2Confident73.5Confident112 Ų11284.3 Ų84.352%0.52342%0.418SS..Hα-helixtrans-65.5-44.4177.1-76.2177.3-172.900111.4K189 E190 S195 R196 S197K189-E193 WeakPolarHBondContact CE-OE1 3.18Å; K189-E193 WeakPolarHBondContact O-CG 3.14Å; K189-E193 PolarHBondContact O-N 3.46Å; E190-E193 PolarHBondContact O-N 2.79Å; E193-S195 VanDerWaalsContact C-N 3.31Å; E193-S195 PolarHBondContact O-N 2.91Å; E193-R196 PolarHBondContact O-N 2.84Å; E193-S197 PolarHBondContact O-N 2.99Å
194L74.9Confident72.8Confident107 Ų10785.1 Ų85.156%0.5643%0.427SS*.Hα-helixtrans-59.3-45.1173.1-176.465000110.8E190 R196 S197 I198E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.4Å; E190-L194 PolarHBondContact O-N 3.43Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 2.89Å; L194-S197 PolarHBondContact O-N 3.27Å; L194-I198 HydrophobicContact CD1-CD1 4.29Å; L194-I198 HydrophobicContact CD2-CD1 4.5Å; L194-I198 HydrophobicContact CG-CD1 3.89Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 2.81Å
195S71.4Confident72.1Confident5 Ų586.3 Ų86.34%0.03543%0.428CS..Hα-helixtrans-58.8-41.6176.3-69.20000112.5M191 V192 E193 A199 F217M191-S195 WeakPolarHBondContact O-CB 3.47Å; M191-S195 PolarHBondContact O-N 2.85Å; M191-S195 PolarHBondContact O-OG 3.23Å; V192-S195 WeakPolarHBondContact O-CB 3.42Å; V192-S195 PolarHBondContact O-N 3.41Å; E193-S195 VanDerWaalsContact C-N 3.31Å; E193-S195 PolarHBondContact O-N 2.91Å; S195-A199 WeakPolarHBondContact O-CB 3.49Å; S195-A199 PolarHBondContact O-N 2.83Å; S195-F217 WeakPolarHBondContact O-CZ 3.28Å
196R71.2Confident71.1Confident160 Ų16089 Ų8960%0.60444%0.439SS*.Hα-helixtrans-67.2-39.8175.9-170.2-176.9-67.2-90.10.8111.9V192 E193 L194 A199 S200V192-R196 WeakPolarHBondContact O-CB 3.47Å; V192-R196 PolarHBondContact O-N 3.42Å; E193-R196 PolarHBondContact O-N 2.84Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 2.89Å; R196-A199 PolarHBondContact O-N 3.32Å; R196-S200 PolarHBondContact O-N 2.95Å
197S73.9Confident69.8Low58 Ų5889 Ų8941%0.40646%0.456SS..Hα-helixtrans-64.9-43176.1-172.90000112E193 L194 S200 K201E193-S197 PolarHBondContact O-N 2.99Å; L194-S197 PolarHBondContact O-N 3.27Å; S197-S200 PolarHBondContact O-N 2.98Å; S197-K201 PolarHBondContact O-N 3.34Å
198I70.8Confident68.7Low59 Ų5990.4 Ų90.430%0.30347%0.469SS..Hα-helixtrans-63.4-46174.8-66.5166.5000110L194 S200 K201 I202 F217L194-I198 HydrophobicContact CD1-CD1 4.29Å; L194-I198 HydrophobicContact CD2-CD1 4.5Å; L194-I198 HydrophobicContact CG-CD1 3.89Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 2.81Å; I198-S200 VanDerWaalsContact C-N 3.3Å; I198-S200 PolarHBondContact O-N 2.85Å; I198-K201 PolarHBondContact O-N 2.72Å; I198-I202 HydrophobicContact CG2-CD1 3.66Å; I198-I202 HydrophobicContact CG2-CG1 4.23Å; I198-I202 VanDerWaalsContact O-CG1 3.27Å; I198-I202 WeakPolarHBondContact O-CG1 3.31Å; I198-I202 PolarHBondContact O-N 3.39Å; I198-F217 HydrophobicContact CB-CE1 4.25Å; I198-F217 HydrophobicContact CB-CE2 3.94Å; I198-F217 HydrophobicContact CB-CZ 3.6Å; I198-F217 HydrophobicContact CD1-CE2 3.93Å; I198-F217 HydrophobicContact CD1-CZ 4.39Å; I198-F217 HydrophobicContact CG2-CD1 4.23Å; I198-F217 HydrophobicContact CG2-CD2 4.02Å; I198-F217 HydrophobicContact CG2-CE1 3.78Å; I198-F217 HydrophobicContact CG2-CE2 3.57Å; I198-F217 HydrophobicContact CG2-CG 4.34Å; I198-F217 HydrophobicContact CG2-CZ 3.44Å; I198-F217 VanDerWaalsContact CG2-CZ 3.44Å
199A66.6Low68Low5 Ų591.2 Ų91.24%0.04147%0.467CS..Hα-helixtrans-58.2-40.2176.100000112.6S195 R196 K203 F217S195-A199 WeakPolarHBondContact O-CB 3.49Å; S195-A199 PolarHBondContact O-N 2.83Å; R196-A199 PolarHBondContact O-N 3.32Å; A199-K203 PolarHBondContact O-N 3.36Å; A199-K203 VanDerWaalsContact O-N 3.07Å; A199-F217 HydrophobicContact CB-CE1 4.28Å
200S69.8Low67.5Low60 Ų6088.9 Ų88.942%0.4246%0.464SS..Hα-helixtrans-65-46.8174.3-1640000111.8R196 S197 I198 I202 K203 D204R196-S200 PolarHBondContact O-N 2.95Å; S197-S200 PolarHBondContact O-N 2.98Å; I198-S200 VanDerWaalsContact C-N 3.3Å; I198-S200 PolarHBondContact O-N 2.85Å; S200-I202 VanDerWaalsContact C-N 3.3Å; S200-I202 PolarHBondContact O-N 3.42Å; S200-K203 WeakPolarHBondContact O-CA 3.34Å; S200-K203 WeakPolarHBondContact O-CB 3.34Å; S200-K203 PolarHBondContact O-N 2.86Å; S200-K203 VanDerWaalsContact O-N 3.09Å; S200-D204 PolarHBondContact O-N 2.93Å; S200-D204 PolarHBondContact OG-OD2 2.88Å
201K71.8Confident66.5Low137 Ų13791.2 Ų91.260%0.59648%0.475SS*.Hα-helixtrans-63.3-35.2178.2-76.5-177.5-179.9178.90113S197 I198 K203 D204 K205S197-K201 PolarHBondContact O-N 3.34Å; I198-K201 PolarHBondContact O-N 2.72Å; K201-K203 VanDerWaalsContact C-N 3.35Å; K201-D204 PolarHBondContact O-N 3.48Å; K201-K205 WeakPolarHBondContact O-CB 3.2Å; K201-K205 PolarHBondContact O-N 2.56Å; K201-K205 VanDerWaalsContact O-N 3.13Å
202I66.3Low66Low37 Ų3791.4 Ų91.419%0.1948%0.477CS..Hα-helixtrans-66.1-39.9173.8-68.4169.2000110.3I198 S200 I209 F217I198-I202 HydrophobicContact CG2-CD1 3.66Å; I198-I202 HydrophobicContact CG2-CG1 4.23Å; I198-I202 VanDerWaalsContact O-CG1 3.27Å; I198-I202 WeakPolarHBondContact O-CG1 3.31Å; I198-I202 PolarHBondContact O-N 3.39Å; S200-I202 VanDerWaalsContact C-N 3.3Å; S200-I202 PolarHBondContact O-N 3.42Å; I202-I209 HydrophobicContact CB-CD1 4.25Å; I202-I209 HydrophobicContact CG1-CD1 3.99Å; I202-I209 HydrophobicContact CG2-CD1 4.33Å; I202-F217 HydrophobicContact CD1-CD1 3.77Å; I202-F217 HydrophobicContact CD1-CE1 4.18Å; I202-F217 HydrophobicContact CD1-CG 4.29Å
203K63.7Low65.7Low118 Ų11894.5 Ų94.551%0.51349%0.488SS..Hα-helixtrans-65.1-40.9175.3-171.2-178.8178-178.60112.2A199 S200 K201A199-K203 PolarHBondContact O-N 3.36Å; A199-K203 VanDerWaalsContact O-N 3.07Å; S200-K203 WeakPolarHBondContact O-CA 3.34Å; S200-K203 WeakPolarHBondContact O-CB 3.34Å; S200-K203 PolarHBondContact O-N 2.86Å; S200-K203 VanDerWaalsContact O-N 3.09Å; K201-K203 VanDerWaalsContact C-N 3.35Å
204D67.4Low65.2Low119 Ų11990.4 Ų90.464%0.63647%0.471SS*.Hα-helixtrans-78.4-19.8-175-61.8-26.5000113.6S200 K201S200-D204 PolarHBondContact O-N 2.93Å; S200-D204 PolarHBondContact OG-OD2 2.88Å; K201-D204 PolarHBondContact O-N 3.48Å
205K63.9Low64.5Low135 Ų13588.2 Ų88.259%0.58746%0.459SS*.THydrogen-bonded Turntrans-106.930.8-179.5-71-168.9170.9-163.90114.2K201 G207 D208 I209K201-K205 WeakPolarHBondContact O-CB 3.2Å; K201-K205 PolarHBondContact O-N 2.56Å; K201-K205 VanDerWaalsContact O-N 3.13Å; K205-G207 PolarHBondContact O-N 3.12Å; K205-D208 PolarHBondContact O-N 2.86Å; K205-I209 HydrophobicContact CB-CD1 4.15Å
206Q51.1Low64.2Low155 Ų15596 Ų9672%0.72449%0.488SS*.THydrogen-bonded Turntrans-51.3102.3178.4-104.6177.9-4.700111.5
207G54.4Low64Low81 Ų8189.9 Ų89.984%0.83547%0.466SS*.THydrogen-bonded Turntrans143.9-24.2177.700000116K205K205-G207 PolarHBondContact O-N 3.12Å
208D54.7Low63.4Low152 Ų15288.5 Ų88.581%0.81345%0.452SS*.SBendtrans-118.26.1-166.5-132.612.9000114.4K205K205-D208 PolarHBondContact O-N 2.86Å
209I59.6Low62.9Low60 Ų6088.6 Ų88.631%0.30846%0.458SS..SBendtrans-119.7132.1-174.6-49.9170.1000108.8I202 K205 E213I202-I209 HydrophobicContact CB-CD1 4.25Å; I202-I209 HydrophobicContact CG1-CD1 3.99Å; I202-I209 HydrophobicContact CG2-CD1 4.33Å; K205-I209 HydrophobicContact CB-CD1 4.15Å; I209-E213 HydrophobicContact CG2-CB 4.22Å
210T63.1Low62.8Low83 Ų8393.9 Ų93.951%0.50948%0.478SS..  trans-69.2145.8-179.3580000111.6D212 E213 T214T210-D212 PolarHBondContact O-N 3.44Å; T210-E213 PolarHBondContact O-N 3.49Å; T210-E213 WeakPolarHBondContact OG1-CG 3.37Å; T210-E213 PolarHBondContact OG1-OE2 3.31Å; T210-E213 VanDerWaalsContact OG1-OE2 3.05Å; T210-T214 PolarHBondContact O-N 3.43Å
211E59.7Low62.6Low142 Ų14291.2 Ų91.266%0.66446%0.459SS*.Hα-helixtrans-60.4-32.7-177.9-158.3169.8-171.200111.8T214 I215E211-T214 PolarHBondContact O-N 2.81Å; E211-I215 HydrophobicContact CG-CD1 4.31Å; E211-I215 WeakPolarHBondContact O-CD1 3.46Å; E211-I215 WeakPolarHBondContact O-CG1 3.43Å; E211-I215 PolarHBondContact O-N 2.88Å
212D62.5Low62.1Low82 Ų8290.2 Ų90.244%0.43946%0.459SS..Hα-helixtrans-65.3-39.3178.4-164.345.1000113.2T210 T214 I215 R216T210-D212 PolarHBondContact O-N 3.44Å; D212-T214 VanDerWaalsContact C-N 3.34Å; D212-T214 PolarHBondContact O-N 2.78Å; D212-I215 PolarHBondContact O-N 3.33Å; D212-R216 PolarHBondContact O-N 3.18Å; D212-R216 IonicContact OD2-CZ 3.06Å; D212-R216 IonicContact OD2-NE 3.47Å; D212-R216 PolarHBondContact OD2-NE 3.12Å; D212-R216 IonicContact OD2-NH2 3.7Å; D212-R216 PolarHBondContact OD2-NH2 3.4Å
213E65.6Low61.7Low117 Ų11793.5 Ų93.555%0.54749%0.486SS..Hα-helixtrans-66.9-38.3177.8-72.1173.7144.100111.5I209 T210 I215 F217I209-E213 HydrophobicContact CG2-CB 4.22Å; T210-E213 PolarHBondContact O-N 3.49Å; T210-E213 WeakPolarHBondContact OG1-CG 3.37Å; T210-E213 PolarHBondContact OG1-OE2 3.31Å; T210-E213 VanDerWaalsContact OG1-OE2 3.05Å; E213-I215 VanDerWaalsContact C-N 3.32Å; E213-I215 PolarHBondContact O-N 3.37Å; E213-F217 WeakPolarHBondContact O-CB 3.22Å; E213-F217 PolarHBondContact O-N 3.08Å; E213-F217 VanDerWaalsContact O-N 3.11Å
214T65.9Low61.7Low27 Ų2790.6 Ų90.617%0.16648%0.475CS..Hα-helixtrans-66.4-36.4175.4-59.50000111.3T210 E211 D212 K218T210-T214 PolarHBondContact O-N 3.43Å; E211-T214 PolarHBondContact O-N 2.81Å; D212-T214 VanDerWaalsContact C-N 3.34Å; D212-T214 PolarHBondContact O-N 2.78Å; T214-K218 HydrophobicContact CG2-CD 4.27Å; T214-K218 VanDerWaalsContact O-CG 3.31Å; T214-K218 WeakPolarHBondContact O-CG 3.39Å; T214-K218 PolarHBondContact O-N 3.32Å; T214-K218 VanDerWaalsContact O-N 3.12Å
215I60.8Low61Low60 Ų6088.3 Ų88.331%0.30848%0.479SS..Hα-helixtrans-66.8-49.7178.3-69.9162.5000111.2E211 D212 E213 F217 K218 S219E211-I215 HydrophobicContact CG-CD1 4.31Å; E211-I215 WeakPolarHBondContact O-CD1 3.46Å; E211-I215 WeakPolarHBondContact O-CG1 3.43Å; E211-I215 PolarHBondContact O-N 2.88Å; D212-I215 PolarHBondContact O-N 3.33Å; E213-I215 VanDerWaalsContact C-N 3.32Å; E213-I215 PolarHBondContact O-N 3.37Å; I215-F217 VanDerWaalsContact C-N 3.29Å; I215-F217 PolarHBondContact O-N 3.27Å; I215-K218 PolarHBondContact O-N 3.43Å; I215-S219 PolarHBondContact O-N 3.45Å; I215-S219 PolarHBondContact O-OG 3.27Å
216R65Low60.9Low169 Ų16983.5 Ų83.564%0.63846%0.46SS*.Hα-helixtrans-62-38.2178.6-69.2-175.4-161-167.77.9112.4D212 S219 Y220D212-R216 PolarHBondContact O-N 3.18Å; D212-R216 IonicContact OD2-CZ 3.06Å; D212-R216 IonicContact OD2-NE 3.47Å; D212-R216 PolarHBondContact OD2-NE 3.12Å; D212-R216 IonicContact OD2-NH2 3.7Å; D212-R216 PolarHBondContact OD2-NH2 3.4Å; R216-S219 WeakPolarHBondContact CA-OG 3.4Å; R216-S219 PolarHBondContact O-N 3.33Å; R216-S219 PolarHBondContact O-OG 3.05Å; R216-Y220 WeakPolarHBondContact O-CB 3.49Å; R216-Y220 PolarHBondContact O-N 3.09Å
217F68.1Low60.9Low32 Ų3280.6 Ų80.614%0.1446%0.462CS..Hα-helixtrans-64.2-44.2177.6-174.8-109.9000111.5S195 I198 A199 I202 E213 I215 Y220 L221S195-F217 WeakPolarHBondContact O-CZ 3.28Å; I198-F217 HydrophobicContact CB-CE1 4.25Å; I198-F217 HydrophobicContact CB-CE2 3.94Å; I198-F217 HydrophobicContact CB-CZ 3.6Å; I198-F217 HydrophobicContact CD1-CE2 3.93Å; I198-F217 HydrophobicContact CD1-CZ 4.39Å; I198-F217 HydrophobicContact CG2-CD1 4.23Å; I198-F217 HydrophobicContact CG2-CD2 4.02Å; I198-F217 HydrophobicContact CG2-CE1 3.78Å; I198-F217 HydrophobicContact CG2-CE2 3.57Å; I198-F217 HydrophobicContact CG2-CG 4.34Å; I198-F217 HydrophobicContact CG2-CZ 3.44Å; I198-F217 VanDerWaalsContact CG2-CZ 3.44Å; A199-F217 HydrophobicContact CB-CE1 4.28Å; I202-F217 HydrophobicContact CD1-CD1 3.77Å; I202-F217 HydrophobicContact CD1-CE1 4.18Å; I202-F217 HydrophobicContact CD1-CG 4.29Å; E213-F217 WeakPolarHBondContact O-CB 3.22Å; E213-F217 PolarHBondContact O-N 3.08Å; E213-F217 VanDerWaalsContact O-N 3.11Å; I215-F217 VanDerWaalsContact C-N 3.29Å; I215-F217 PolarHBondContact O-N 3.27Å; F217-Y220 WeakPolarHBondContact O-CB 3.42Å; F217-Y220 PolarHBondContact O-N 3.31Å; F217-L221 HydrophobicContact CD1-CD1 4.25Å; F217-L221 HydrophobicContact CE1-CD1 3.84Å; F217-L221 HydrophobicContact CE1-CD2 4.43Å; F217-L221 HydrophobicContact CE1-CG 4.27Å; F217-L221 HydrophobicContact CZ-CD1 4.37Å; F217-L221 HydrophobicContact CZ-CD2 4.14Å; F217-L221 HydrophobicContact CZ-CG 4.41Å; F217-L221 WeakPolarHBondContact O-CG 3.45Å; F217-L221 PolarHBondContact O-N 3.15Å; F217-L221 VanDerWaalsContact O-N 3.09Å
218K60.8Low60.8Low28 Ų2882.7 Ų82.712%0.12245%0.454CS..Hα-helixtrans-66.7-37177-69.6175.7-177.2178.30112.9T214 I215 Y220 L221 L222 T234 H235 S237T214-K218 HydrophobicContact CG2-CD 4.27Å; T214-K218 VanDerWaalsContact O-CG 3.31Å; T214-K218 WeakPolarHBondContact O-CG 3.39Å; T214-K218 PolarHBondContact O-N 3.32Å; T214-K218 VanDerWaalsContact O-N 3.12Å; I215-K218 PolarHBondContact O-N 3.43Å; K218-Y220 VanDerWaalsContact C-N 3.28Å; K218-Y220 PolarHBondContact O-N 3.25Å; K218-L221 PolarHBondContact O-N 3.12Å; K218-L222 PolarHBondContact O-N 3.3Å; K218-L222 VanDerWaalsContact O-N 3.11Å; K218-T234 PolarHBondContact NZ-O 2.79Å; K218-H235 PolarHBondContact NZ-O 2.91Å; K218-H235 VanDerWaalsContact NZ-O 3.09Å; K218-S237 WeakPolarHBondContact CB-OG 3.23Å; K218-S237 WeakPolarHBondContact CD-OG 3.36Å
219S59.5Low60.3Low62 Ų6277.5 Ų77.543%0.43443%0.429SS..Hα-helixtrans-65-33.9173.858.60000112.4I215 R216 L222 S223I215-S219 PolarHBondContact O-N 3.45Å; I215-S219 PolarHBondContact O-OG 3.27Å; R216-S219 WeakPolarHBondContact CA-OG 3.4Å; R216-S219 PolarHBondContact O-N 3.33Å; R216-S219 PolarHBondContact O-OG 3.05Å; S219-L222 PolarHBondContact O-N 3.5Å; S219-S223 WeakPolarHBondContact O-CB 3.37Å; S219-S223 PolarHBondContact O-N 3.5Å; S219-S223 PolarHBondContact O-OG 3.37Å
220Y64.6Low59.4Low116 Ų11675.8 Ų75.846%0.45542%0.421SS..Hα-helixtrans-65.1-44.2174.3-167.5-109.5000111M191 R216 F217 K218 L222 S223 M224M191-Y220 WeakPolarHBondContact CE-OH 3.35Å; M191-Y220 HydrophobicContact SD-CE1 4.19Å; M191-Y220 PolarHBondContact SD-OH 3.25Å; M191-Y220 VanDerWaalsContact SD-OH 3.36Å; R216-Y220 WeakPolarHBondContact O-CB 3.49Å; R216-Y220 PolarHBondContact O-N 3.09Å; F217-Y220 WeakPolarHBondContact O-CB 3.42Å; F217-Y220 PolarHBondContact O-N 3.31Å; K218-Y220 VanDerWaalsContact C-N 3.28Å; K218-Y220 PolarHBondContact O-N 3.25Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 3.05Å; Y220-S223 PolarHBondContact O-N 3Å; Y220-M224 HydrophobicContact CD1-CE 3.15Å; Y220-M224 HydrophobicContact CD1-SD 3.82Å; Y220-M224 HydrophobicContact CE1-CE 3.26Å; Y220-M224 HydrophobicContact CE1-CG 4.4Å; Y220-M224 HydrophobicContact CE1-SD 3.3Å; Y220-M224 WeakPolarHBondContact CE1-SD 3.42Å; Y220-M224 HydrophobicContact CG-CE 4.02Å; Y220-M224 WeakPolarHBondContact O-CE 3.45Å; Y220-M224 WeakPolarHBondContact O-CG 3.4Å; Y220-M224 PolarHBondContact O-N 3.48Å; Y220-M224 VanDerWaalsContact O-N 3.09Å
221L65.2Low58.3Low4 Ų475.9 Ų75.92%0.02142%0.422CS..Hα-helixtrans-59.7-42.3175.8-63.6179.5000113F217 K218 M224 G225 I226 P229F217-L221 HydrophobicContact CD1-CD1 4.25Å; F217-L221 HydrophobicContact CE1-CD1 3.84Å; F217-L221 HydrophobicContact CE1-CD2 4.43Å; F217-L221 HydrophobicContact CE1-CG 4.27Å; F217-L221 HydrophobicContact CZ-CD1 4.37Å; F217-L221 HydrophobicContact CZ-CD2 4.14Å; F217-L221 HydrophobicContact CZ-CG 4.41Å; F217-L221 WeakPolarHBondContact O-CG 3.45Å; F217-L221 PolarHBondContact O-N 3.15Å; F217-L221 VanDerWaalsContact O-N 3.09Å; K218-L221 PolarHBondContact O-N 3.12Å; L221-M224 HydrophobicContact CD2-CE 3.86Å; L221-M224 PolarHBondContact O-N 3.21Å; L221-G225 PolarHBondContact O-N 3.25Å; L221-I226 HydrophobicContact CD2-CD1 4.28Å; L221-I226 PolarHBondContact O-N 2.93Å; L221-I226 VanDerWaalsContact O-N 3.07Å; L221-P229 HydrophobicContact CD1-CG 4.1Å
222L62.6Low57.5Low115 Ų11581 Ų8160%0.60244%0.435SS*.Hα-helixtrans-65.3-43.3178.1-173.465.8000111.5K218 S219 Y220 M224 G225K218-L222 PolarHBondContact O-N 3.3Å; K218-L222 VanDerWaalsContact O-N 3.11Å; S219-L222 PolarHBondContact O-N 3.5Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 3.05Å; L222-M224 PolarHBondContact O-N 3.02Å; L222-G225 PolarHBondContact O-N 2.94Å
223S57Low56.5Low106 Ų10685 Ų8574%0.74145%0.451SS*.Hα-helixtrans-64.2-26.3177.9-55.30000112.7S219 Y220 G225S219-S223 WeakPolarHBondContact O-CB 3.37Å; S219-S223 PolarHBondContact O-N 3.5Å; S219-S223 PolarHBondContact O-OG 3.37Å; Y220-S223 PolarHBondContact O-N 3Å; S223-G225 VanDerWaalsContact C-N 3.34Å
224M63.4Low55.2Low58 Ų5883 Ų8329%0.28645%0.447SS..THydrogen-bonded Turntrans-86.6-0.2175.1-67.5-174.9-65.500113.8M191 Y220 L221 L222 I226M191-M224 HydrophobicContact CG-SD 3.84Å; M191-M224 HydrophobicContact SD-SD 3.28Å; Y220-M224 HydrophobicContact CD1-CE 3.15Å; Y220-M224 HydrophobicContact CD1-SD 3.82Å; Y220-M224 HydrophobicContact CE1-CE 3.26Å; Y220-M224 HydrophobicContact CE1-CG 4.4Å; Y220-M224 HydrophobicContact CE1-SD 3.3Å; Y220-M224 WeakPolarHBondContact CE1-SD 3.42Å; Y220-M224 HydrophobicContact CG-CE 4.02Å; Y220-M224 WeakPolarHBondContact O-CE 3.45Å; Y220-M224 WeakPolarHBondContact O-CG 3.4Å; Y220-M224 PolarHBondContact O-N 3.48Å; Y220-M224 VanDerWaalsContact O-N 3.09Å; L221-M224 HydrophobicContact CD2-CE 3.86Å; L221-M224 PolarHBondContact O-N 3.21Å; L222-M224 PolarHBondContact O-N 3.02Å; M224-I226 HydrophobicContact CB-CD1 4.23Å; M224-I226 HydrophobicContact CB-CG1 4.15Å; M224-I226 HydrophobicContact CE-CD1 4.03Å; M224-I226 PolarHBondContact O-N 3.26Å
225G53.8Low54.1Low71 Ų7189.7 Ų89.773%0.73248%0.476SS*.THydrogen-bonded Turntrans71.115.7-178.400000114.3L221 L222 S223 A227L221-G225 PolarHBondContact O-N 3.25Å; L222-G225 PolarHBondContact O-N 2.94Å; S223-G225 VanDerWaalsContact C-N 3.34Å; G225-A227 PolarHBondContact O-N 3.37Å
226I61.1Low53.4Low33 Ų3388.1 Ų88.117%0.16947%0.474CS..  trans-85.2105.1176.3-55.7173.7000107.9V192 L221 M224 N228 P229V192-I226 HydrophobicContact CB-CD1 4.2Å; V192-I226 HydrophobicContact CG1-CD1 4.38Å; V192-I226 HydrophobicContact CG2-CD1 3.52Å; V192-I226 HydrophobicContact CG2-CG1 4.12Å; L221-I226 HydrophobicContact CD2-CD1 4.28Å; L221-I226 PolarHBondContact O-N 2.93Å; L221-I226 VanDerWaalsContact O-N 3.07Å; M224-I226 HydrophobicContact CB-CD1 4.23Å; M224-I226 HydrophobicContact CB-CG1 4.15Å; M224-I226 HydrophobicContact CE-CD1 4.03Å; M224-I226 PolarHBondContact O-N 3.26Å; I226-N228 PolarHBondContact O-N 2.88Å; I226-P229 HydrophobicContact CG2-CG 4.36Å
227A50.4Low52.2Low94 Ų9481.2 Ų81.278%0.77745%0.452SS*.  trans-59.9122.617300000110.4G225G225-A227 PolarHBondContact O-N 3.37Å
228N52.8Low51.3Low125 Ų12581.4 Ų81.467%0.66846%0.463SS*.  trans-1.897.4172.2-91.7-25.7000116.4I226 V230I226-N228 PolarHBondContact O-N 2.88Å; N228-V230 VanDerWaalsContact C-N 3.28Å
229P43.9Very low51.3Low43 Ų4383 Ų8328%0.27948%0.475SS..  trans-81.9-8.1163.721.9-12.8000112.7L221 I226L221-P229 HydrophobicContact CD1-CG 4.1Å; I226-P229 HydrophobicContact CG2-CG 4.36Å
230V42Very low51.8Low25 Ų2585.2 Ų85.215%0.15248%0.478CS..SBendtrans-93.5111.6173.2-121.50000107.8N228N228-V230 VanDerWaalsContact C-N 3.28Å
231T40.3Very low52.3Low84 Ų8483.8 Ų83.852%0.51547%0.473SS..  trans-41.8140.5-178.240.20000113.3E233T231-E233 PolarHBondContact O-N 2.88Å
232R41.3Very low53.2Low251 Ų25184.9 Ų84.995%0.94748%0.478SS*.THydrogen-bonded Turntrans-34.15.1-179.6-86.816865.4159.2-1.4120.7
233E41.3Very low54.2Low164 Ų16481.1 Ų81.177%0.76646%0.458SS*.THydrogen-bonded Turntrans-136.21.9-162-70.7173.7179.400116.4T231T231-E233 PolarHBondContact O-N 2.88Å
234T40.3Very low55.6Low75 Ų7579.9 Ų79.946%0.4644%0.44SS..  trans-119.1104.4178.99.70000112.6K218K218-T234 PolarHBondContact NZ-O 2.79Å
235H40.8Very low56.8Low169 Ų16977.3 Ų77.378%0.78243%0.428SS*.  trans-19.2147.9178.2-56.7-19.5000118.4K218K218-H235 PolarHBondContact NZ-O 2.91Å; K218-H235 VanDerWaalsContact NZ-O 3.09Å
236G46.3Very low58.6Low26 Ų2673.9 Ų73.927%0.26839%0.393SS..SBendtrans134.8-53.3141.200000118.7T239G236-T239 WeakPolarHBondContact O-CB 3.17Å
237S41.3Very low60.1Low24 Ų2476.7 Ų76.717%0.16840%0.404CS..Hα-helixtrans-104.5-33.7-16176.80000116.4K218 T239 H240K218-S237 WeakPolarHBondContact CB-OG 3.23Å; K218-S237 WeakPolarHBondContact CD-OG 3.36Å; S237-T239 PolarHBondContact O-N 3.2Å; S237-H240 PolarHBondContact O-N 3.36Å
238G49.4Very low62Low37 Ų3777 Ų7738%0.38139%0.389SS..Hα-helixtrans-60.8-28.816800000110.5H242G238-H242 PolarHBondContact O-CD2 3.36Å; G238-H242 PolarHBondContact O-N 3.48Å
239T60Low64Low61 Ų6171 Ų7137%0.37436%0.357SS..Hα-helixtrans-58.9-45.2174.1-36.20000112.4G236 S237 H242 I243 M293G236-T239 WeakPolarHBondContact O-CB 3.17Å; S237-T239 PolarHBondContact O-N 3.2Å; T239-H242 PolarHBondContact O-N 3.44Å; T239-I243 HydrophobicContact CG2-CD1 3.78Å; T239-I243 HydrophobicContact CG2-CG1 4.21Å; T239-I243 WeakPolarHBondContact O-CB 3.38Å; T239-I243 WeakPolarHBondContact O-CD1 3.24Å; T239-I243 WeakPolarHBondContact O-CG1 3.3Å; T239-I243 PolarHBondContact O-N 3.24Å; T239-M293 HydrophobicContact CG2-CE 3.64Å; T239-M293 HydrophobicContact CG2-SD 4.45Å
240H69.9Low66.3Low108 Ų10869 Ų6950%0.534%0.344SS..Hα-helixtrans-69.3-40.9-174.5-170.6-92.7000113.3S237 I243 Q244S237-H240 PolarHBondContact O-N 3.36Å; H240-I243 PolarHBondContact O-N 3.31Å; H240-Q244 PolarHBondContact CE1-NE2 3.5Å; H240-Q244 PolarHBondContact NE2-NE2 3.11Å; H240-Q244 WeakPolarHBondContact O-CG 3.48Å; H240-Q244 PolarHBondContact O-N 3.38Å
241Y75.6Confident68.6Low87 Ų8774 Ų7434%0.34137%0.37SS..Hα-helixtrans-58.7-51.1172.3165.6-109000110.8I243 Q244 L245 D286Y241-I243 VanDerWaalsContact C-N 3.29Å; Y241-I243 PolarHBondContact O-N 2.82Å; Y241-Q244 PolarHBondContact O-N 3.11Å; Y241-L245 HydrophobicContact CE1-CD2 4.21Å; Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 PolarHBondContact O-N 3.3Å; Y241-D286 HydrophobicContact CE1-CB 4.12Å
242H82.8Confident71.1Confident26 Ų2673 Ų7312%0.1236%0.36CS..Hα-helixtrans-66.3-28.8178.5-63.3-49.1000112.9G238 T239 A246 D286 M293G238-H242 PolarHBondContact O-CD2 3.36Å; G238-H242 PolarHBondContact O-N 3.48Å; T239-H242 PolarHBondContact O-N 3.44Å; H242-A246 WeakPolarHBondContact O-CB 3.44Å; H242-A246 PolarHBondContact O-N 3.09Å; H242-D286 IonicContact CE1-OD1 3.67Å; H242-D286 PolarHBondContact CE1-OD1 3.01Å; H242-M293 HydrophobicContact CB-CG 4.37Å; H242-M293 HydrophobicContact CB-SD 3.47Å; H242-M293 WeakPolarHBondContact CB-SD 3.42Å
243I84.9Confident73.6Confident36 Ų3661 Ų6119%0.18532%0.315CS..Hα-helixtrans-63.9-49.9173.5-76163.5000110.1T239 H240 Y241 L245 A246 K247 M293 L297T239-I243 HydrophobicContact CG2-CD1 3.78Å; T239-I243 HydrophobicContact CG2-CG1 4.21Å; T239-I243 WeakPolarHBondContact O-CB 3.38Å; T239-I243 WeakPolarHBondContact O-CD1 3.24Å; T239-I243 WeakPolarHBondContact O-CG1 3.3Å; T239-I243 PolarHBondContact O-N 3.24Å; H240-I243 PolarHBondContact O-N 3.31Å; Y241-I243 VanDerWaalsContact C-N 3.29Å; Y241-I243 PolarHBondContact O-N 2.82Å; I243-L245 VanDerWaalsContact C-N 3.33Å; I243-A246 PolarHBondContact O-N 3.12Å; I243-K247 PolarHBondContact O-N 2.96Å; I243-K247 VanDerWaalsContact O-N 3.12Å; I243-M293 HydrophobicContact CB-CE 4.45Å; I243-M293 HydrophobicContact CB-SD 4.45Å; I243-M293 HydrophobicContact CD1-CE 4.07Å; I243-M293 HydrophobicContact CG1-CE 3.26Å; I243-M293 HydrophobicContact CG1-SD 3.78Å; I243-M293 PolarHBondContact N-SD 3.44Å; I243-M293 VanDerWaalsContact N-SD 3.43Å; I243-L297 HydrophobicContact CB-CD1 4.35Å; I243-L297 HydrophobicContact CG1-CD1 4.35Å; I243-L297 HydrophobicContact CG1-CD2 4.27Å; I243-L297 HydrophobicContact CG2-CD1 4.04Å; I243-L297 HydrophobicContact CG2-CD2 4.03Å
244Q85.1Confident75.9Confident80 Ų8056.9 Ų56.937%0.37430%0.296SS..Hα-helixtrans-67.2-40.8-179.4-64.4-62.8-6.800110.6H240 Y241 A246 K247 Q248H240-Q244 PolarHBondContact CE1-NE2 3.5Å; H240-Q244 PolarHBondContact NE2-NE2 3.11Å; H240-Q244 WeakPolarHBondContact O-CG 3.48Å; H240-Q244 PolarHBondContact O-N 3.38Å; Y241-Q244 PolarHBondContact O-N 3.11Å; Q244-A246 VanDerWaalsContact C-N 3.32Å; Q244-A246 PolarHBondContact O-N 3.05Å; Q244-K247 PolarHBondContact O-N 3.47Å; Q244-Q248 WeakPolarHBondContact O-CG 3.19Å; Q244-Q248 PolarHBondContact O-N 3.36Å; Q244-Q248 VanDerWaalsContact O-N 3.08Å
245L88.8Confident78.3Confident4 Ų455.7 Ų55.72%0.02129%0.294CS..Hα-helixtrans-60.9-42.1174.2-177.456000111.5Y241 I243 K247 Q248 L249 L282 D286 A290Y241-L245 HydrophobicContact CE1-CD2 4.21Å; Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 PolarHBondContact O-N 3.3Å; I243-L245 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 3.34Å; L245-Q248 PolarHBondContact O-N 3.1Å; L245-L249 HydrophobicContact CD1-CD1 4.43Å; L245-L249 HydrophobicContact CD1-CG 4.24Å; L245-L249 HydrophobicContact CG-CD1 4.11Å; L245-L249 HydrophobicContact CG-CG 4.39Å; L245-L249 WeakPolarHBondContact O-CB 3.42Å; L245-L249 VanDerWaalsContact O-CG 3.24Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.42Å; L245-L282 HydrophobicContact CD1-CD1 3.8Å; L245-L282 HydrophobicContact CD1-CD2 3.77Å; L245-L282 HydrophobicContact CD1-CG 4.41Å; L245-L282 HydrophobicContact CD2-CD1 4.34Å; L245-L282 HydrophobicContact CD2-CD2 3.63Å; L245-L282 HydrophobicContact CG-CD2 4.38Å; L245-D286 HydrophobicContact CD2-CB 4.18Å; L245-A290 HydrophobicContact CB-CB 3.97Å; L245-A290 HydrophobicContact CD2-CB 3.72Å; L245-A290 HydrophobicContact CG-CB 3.61Å
246A92.1Very high80.7Confident0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-61.5-41.9178.200000112.3H242 I243 Q244 L249 G250 A290 M293 F294 L297 L299H242-A246 WeakPolarHBondContact O-CB 3.44Å; H242-A246 PolarHBondContact O-N 3.09Å; I243-A246 PolarHBondContact O-N 3.12Å; Q244-A246 VanDerWaalsContact C-N 3.32Å; Q244-A246 PolarHBondContact O-N 3.05Å; A246-L249 PolarHBondContact O-N 3.44Å; A246-G250 PolarHBondContact O-N 2.9Å; A246-A290 HydrophobicContact CB-CB 4.31Å; A246-A290 WeakPolarHBondContact CB-O 3.39Å; A246-M293 HydrophobicContact CB-CB 3.88Å; A246-F294 HydrophobicContact CB-CD1 4.01Å; A246-F294 HydrophobicContact CB-CE1 4.05Å; A246-F294 WeakPolarHBondContact O-CE1 3.34Å; A246-L297 HydrophobicContact CB-CD1 3.71Å; A246-L299 HydrophobicContact CB-CD1 4.27Å; A246-L299 VanDerWaalsContact O-CD1 3.31Å; A246-L299 WeakPolarHBondContact O-CD1 3.39Å
247K92.1Very high82.8Confident92 Ų9247.6 Ų47.640%0.425%0.251SS..Hα-helixtrans-62.1-47.1174.6-68.9176.9-179.7-179.10111.8I243 Q244 L245 L249 G250 D251I243-K247 PolarHBondContact O-N 2.96Å; I243-K247 VanDerWaalsContact O-N 3.12Å; Q244-K247 PolarHBondContact O-N 3.47Å; L245-K247 PolarHBondContact O-N 3.34Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.5Å; K247-G250 WeakPolarHBondContact O-CA 3.37Å; K247-G250 PolarHBondContact O-N 2.96Å; K247-G250 VanDerWaalsContact O-N 3.09Å; K247-D251 PolarHBondContact O-N 3.29Å; K247-D251 VanDerWaalsContact O-N 3.12Å
248Q92Very high85Confident99 Ų9951.6 Ų51.646%0.46327%0.268SS..Hα-helixtrans-59-43.1176.1-71179.8-3.800112.2Q244 L245 G250 D251 M252Q244-Q248 WeakPolarHBondContact O-CG 3.19Å; Q244-Q248 PolarHBondContact O-N 3.36Å; Q244-Q248 VanDerWaalsContact O-N 3.08Å; L245-Q248 PolarHBondContact O-N 3.1Å; Q248-G250 VanDerWaalsContact C-N 3.31Å; Q248-D251 PolarHBondContact O-N 3.31Å; Q248-M252 WeakPolarHBondContact O-CB 3.26Å; Q248-M252 VanDerWaalsContact O-CG 3.28Å; Q248-M252 WeakPolarHBondContact O-CG 3.39Å; Q248-M252 PolarHBondContact O-N 3.09Å
249L93.8Very high86.7Confident0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-64.5-37.4175.8-68.4173.2000111.5L245 A246 K247 D251 M252 L253 V273 L282 L287 A290 F294L245-L249 HydrophobicContact CD1-CD1 4.43Å; L245-L249 HydrophobicContact CD1-CG 4.24Å; L245-L249 HydrophobicContact CG-CD1 4.11Å; L245-L249 HydrophobicContact CG-CG 4.39Å; L245-L249 WeakPolarHBondContact O-CB 3.42Å; L245-L249 VanDerWaalsContact O-CG 3.24Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.42Å; A246-L249 PolarHBondContact O-N 3.44Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.5Å; L249-D251 PolarHBondContact O-N 2.68Å; L249-M252 PolarHBondContact O-N 3.22Å; L249-L253 HydrophobicContact CB-CD1 4.15Å; L249-L253 HydrophobicContact CD2-CD1 4.46Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.07Å; L249-V273 HydrophobicContact CD2-CB 4.36Å; L249-V273 HydrophobicContact CD2-CG1 3.87Å; L249-V273 HydrophobicContact CD2-CG2 3.61Å; L249-L282 HydrophobicContact CD2-CD1 4.46Å; L249-L287 HydrophobicContact CD1-CD1 3.71Å; L249-L287 HydrophobicContact CD2-CD1 3.75Å; L249-L287 HydrophobicContact CG-CD1 4.41Å; L249-A290 HydrophobicContact CD1-CB 3.66Å; L249-F294 HydrophobicContact CB-CE1 3.91Å; L249-F294 HydrophobicContact CB-CZ 3.83Å; L249-F294 HydrophobicContact CD1-CE1 4.38Å; L249-F294 HydrophobicContact CD1-CZ 4.22Å
250G92.3Very high87.6Confident1 Ų159.9 Ų59.91%0.0129%0.287CS..Hα-helixtrans-49.5-56.4170.800000112A246 K247 Q248 Q254A246-G250 PolarHBondContact O-N 2.9Å; K247-G250 WeakPolarHBondContact O-CA 3.37Å; K247-G250 PolarHBondContact O-N 2.96Å; K247-G250 VanDerWaalsContact O-N 3.09Å; Q248-G250 VanDerWaalsContact C-N 3.31Å; G250-Q254 PolarHBondContact O-N 3.15Å
251D91Very high87.9Confident129 Ų12956.5 Ų56.569%0.6928%0.282SS*.Hα-helixtrans-67.7-40.6-177.6-60.1-25.3000112.2K247 Q248 L249K247-D251 PolarHBondContact O-N 3.29Å; K247-D251 VanDerWaalsContact O-N 3.12Å; Q248-D251 PolarHBondContact O-N 3.31Å; L249-D251 PolarHBondContact O-N 2.68Å
252M91.8Very high88.3Confident64 Ų6452.5 Ų52.532%0.31527%0.267SS..Hα-helixtrans-72-32.4-177.6-74.1-176.270.400113.7Q248 L249 P256 V273 A276Q248-M252 WeakPolarHBondContact O-CB 3.26Å; Q248-M252 VanDerWaalsContact O-CG 3.28Å; Q248-M252 WeakPolarHBondContact O-CG 3.39Å; Q248-M252 PolarHBondContact O-N 3.09Å; L249-M252 PolarHBondContact O-N 3.22Å; M252-P256 VanDerWaalsContact O-CD 3.31Å; M252-P256 WeakPolarHBondContact O-CD 3.45Å; M252-P256 WeakPolarHBondContact O-CG 3.37Å; M252-V273 HydrophobicContact CE-CG1 4.4Å; M252-A276 HydrophobicContact CE-CB 3.66Å
253L93.5Very high88.5Confident0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-95.7-15.7-171.3-63.2173.8000113.6L249 P256 L257 V269 L272 V273 L301L249-L253 HydrophobicContact CB-CD1 4.15Å; L249-L253 HydrophobicContact CD2-CD1 4.46Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.07Å; L253-P256 WeakPolarHBondContact O-CD 3.31Å; L253-L257 HydrophobicContact CB-CD1 3.95Å; L253-L257 VanDerWaalsContact O-CB 3.24Å; L253-L257 WeakPolarHBondContact O-CB 3.42Å; L253-L257 WeakPolarHBondContact O-CD1 3.45Å; L253-L257 VanDerWaalsContact O-CG 3.3Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 2.9Å; L253-V269 HydrophobicContact CD1-CG1 3.55Å; L253-V269 HydrophobicContact CD1-CG2 4.49Å; L253-V269 HydrophobicContact CD2-CG1 3.86Å; L253-V269 HydrophobicContact CD2-CG2 4.4Å; L253-V269 HydrophobicContact CG-CG1 4.36Å; L253-L272 HydrophobicContact CD2-CD2 4.04Å; L253-V273 HydrophobicContact CD2-CG2 3.97Å; L253-L301 HydrophobicContact CB-CD1 3.88Å; L253-L301 HydrophobicContact CD1-CD1 4.32Å
254Q90.8Very high88.8Confident76 Ų7649.7 Ų49.736%0.35525%0.253SS..Hα-helixtrans-57.4-58-176.4-175.8171-5.700112.5G250 L257 E258G250-Q254 PolarHBondContact O-N 3.15Å; Q254-L257 PolarHBondContact O-N 3.4Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.06Å; Q254-E258 PolarHBondContact NE2-OE1 2.92Å; Q254-E258 WeakPolarHBondContact O-CG 3.34Å; Q254-E258 PolarHBondContact O-N 3.34Å
255A91Very high89.1Confident51 Ų5146 Ų4642%0.42124%0.237SC..Hα-helixtrans-62.5-46.8-179.900000113.1L257 E258 E259A255-L257 VanDerWaalsContact C-N 3.26Å; A255-L257 PolarHBondContact O-N 3.21Å; A255-E258 PolarHBondContact O-N 3.45Å; A255-E259 WeakPolarHBondContact O-CG 3.32Å; A255-E259 PolarHBondContact O-N 3.36Å
256P90.9Very high89.3Confident25 Ų2546.8 Ų46.816%0.16224%0.24CC..Hα-helixtrans-59.1-32.7174.9-27.535.1000114.8M252 L253 R260 M264 L272M252-P256 VanDerWaalsContact O-CD 3.31Å; M252-P256 WeakPolarHBondContact O-CD 3.45Å; M252-P256 WeakPolarHBondContact O-CG 3.37Å; L253-P256 WeakPolarHBondContact O-CD 3.31Å; P256-R260 WeakPolarHBondContact O-CB 3.39Å; P256-R260 WeakPolarHBondContact O-CD 3.15Å; P256-R260 VanDerWaalsContact O-CG 3.23Å; P256-R260 WeakPolarHBondContact O-CG 3.5Å; P256-R260 PolarHBondContact O-N 3.24Å; P256-M264 HydrophobicContact CB-SD 4.27Å; P256-L272 HydrophobicContact CB-CD1 3.88Å; P256-L272 HydrophobicContact CG-CD1 4.22Å
257L89.6Confident89.3Confident0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-71.7-43.8175.9-83161.9000111.5L253 Q254 A255 E259 R260 G261 G262 M264 L301 V313 L315L253-L257 HydrophobicContact CB-CD1 3.95Å; L253-L257 VanDerWaalsContact O-CB 3.24Å; L253-L257 WeakPolarHBondContact O-CB 3.42Å; L253-L257 WeakPolarHBondContact O-CD1 3.45Å; L253-L257 VanDerWaalsContact O-CG 3.3Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 2.9Å; Q254-L257 PolarHBondContact O-N 3.4Å; A255-L257 VanDerWaalsContact C-N 3.26Å; A255-L257 PolarHBondContact O-N 3.21Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 2.89Å; L257-R260 CarbonylContact O-C 3.49Å; L257-R260 PolarHBondContact O-N 2.88Å; L257-R260 VanDerWaalsContact O-N 3.15Å; L257-G261 PolarHBondContact O-N 2.9Å; L257-G262 VanDerWaalsContact O-CA 3.32Å; L257-G262 WeakPolarHBondContact O-CA 3.44Å; L257-G262 PolarHBondContact O-N 3.05Å; L257-M264 HydrophobicContact CD2-CB 3.86Å; L257-M264 HydrophobicContact CD2-CG 3.7Å; L257-M264 HydrophobicContact CD2-SD 4.27Å; L257-M264 HydrophobicContact CG-CG 4.36Å; L257-M264 HydrophobicContact CG-SD 4.3Å; L257-L301 HydrophobicContact CD1-CD1 4.29Å; L257-L301 HydrophobicContact CD1-CD2 3.56Å; L257-V313 HydrophobicContact CD1-CG1 3.86Å; L257-V313 WeakPolarHBondContact CD2-O 3.3Å; L257-L315 HydrophobicContact CB-CD2 4.07Å; L257-L315 HydrophobicContact CB-CG 4.1Å; L257-L315 HydrophobicContact CD1-CD2 4.41Å
258E87.4Confident89.3Confident108 Ų10850 Ų5051%0.50526%0.264SS..Hα-helixtrans-59.9-44.7176.5-71.6172.4-171.800111.2Q254 A255 R260 G261 L315Q254-E258 WeakPolarHBondContact CG-OE1 3.06Å; Q254-E258 PolarHBondContact NE2-OE1 2.92Å; Q254-E258 WeakPolarHBondContact O-CG 3.34Å; Q254-E258 PolarHBondContact O-N 3.34Å; A255-E258 PolarHBondContact O-N 3.45Å; E258-R260 PolarHBondContact O-N 2.88Å; E258-G261 PolarHBondContact O-N 3.19Å; E258-L315 HydrophobicContact CG-CD1 3.66Å
259E84.4Confident89.4Confident164 Ų16445.2 Ų45.277%0.76624%0.242SC*.Hα-helixtrans-62.9-25.8176-71.1175.6-175.900113.6A255 L257A255-E259 WeakPolarHBondContact O-CG 3.32Å; A255-E259 PolarHBondContact O-N 3.36Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 2.89Å
260R79.7Confident89.4Confident108 Ų10848.9 Ų48.941%0.40826%0.256SS..THydrogen-bonded Turntrans-10522.7-176.3-67.1173.5-178.8-122.1-2.2113.4P256 L257 E258 M264 L348P256-R260 WeakPolarHBondContact O-CB 3.39Å; P256-R260 WeakPolarHBondContact O-CD 3.15Å; P256-R260 VanDerWaalsContact O-CG 3.23Å; P256-R260 WeakPolarHBondContact O-CG 3.5Å; P256-R260 PolarHBondContact O-N 3.24Å; L257-R260 CarbonylContact O-C 3.49Å; L257-R260 PolarHBondContact O-N 2.88Å; L257-R260 VanDerWaalsContact O-N 3.15Å; E258-R260 PolarHBondContact O-N 2.88Å; R260-M264 HydrophobicContact CB-CG 4.33Å; R260-M264 VanDerWaalsContact CD-SD 3.54Å; R260-L348 WeakPolarHBondContact O-CD2 3.34Å
261G75.8Confident89.4Confident37 Ų3752.7 Ų52.738%0.38128%0.281SS..THydrogen-bonded Turntrans71.832.3175.100000113.8L257 E258 M263 H318 R356L257-G261 PolarHBondContact O-N 2.9Å; E258-G261 PolarHBondContact O-N 3.19Å; G261-M263 PolarHBondContact O-N 3.25Å; G261-H318 PolarHBondContact O-NE2 3.06Å; G261-R356 PolarHBondContact O-NH2 3.36Å
262G85Confident89.4Confident3 Ų348 Ų483%0.03126%0.256CS..THydrogen-bonded Turntrans85.12.9165.200000116.3L257 Q314 L315L257-G262 VanDerWaalsContact O-CA 3.32Å; L257-G262 WeakPolarHBondContact O-CA 3.44Å; L257-G262 PolarHBondContact O-N 3.05Å; G262-Q314 CarbonylContact O-C 3.57Å; G262-Q314 VanDerWaalsContact O-CA 3.23Å; G262-Q314 WeakPolarHBondContact O-CA 3.4Å; G262-Q314 WeakPolarHBondContact O-CB 3.21Å; G262-L315 PolarHBondContact O-N 3.24Å
263M87Confident89.5Confident2 Ų245 Ų451%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-150.5141.8-176.2-174.2-176-70.800112.3G261 F306 V312 V313 Q314 M323 L352G261-M263 PolarHBondContact O-N 3.25Å; M263-F306 HydrophobicContact CE-CZ 4.13Å; M263-F306 HydrophobicContact SD-CE2 4.11Å; M263-F306 HydrophobicContact SD-CZ 3.98Å; M263-V312 HydrophobicContact CE-CG2 4.37Å; M263-V312 HydrophobicContact CG-CB 4Å; M263-V312 HydrophobicContact CG-CG2 4Å; M263-V312 HydrophobicContact SD-CB 4.34Å; M263-V312 HydrophobicContact SD-CG1 4.48Å; M263-V312 HydrophobicContact SD-CG2 3.97Å; M263-V313 CarbonylContact C-O 3.59Å; M263-V313 WeakPolarHBondContact CA-O 3.32Å; M263-Q314 HydrophobicContact CB-CB 4.21Å; M263-Q314 HydrophobicContact CE-CB 4.18Å; M263-Q314 HydrophobicContact CG-CB 4.14Å; M263-M323 HydrophobicContact CE-SD 4Å; M263-L352 HydrophobicContact CG-CD1 4.31Å; M263-L352 HydrophobicContact CG-CD2 4.14Å; M263-L352 HydrophobicContact SD-CD2 3.75Å
264M90.4Very high89.4Confident1 Ų145.7 Ų45.71%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-140.1146.4175-72.9-17867.700111.5P256 L257 R260 E268 V269 L272 V312 V313P256-M264 HydrophobicContact CB-SD 4.27Å; L257-M264 HydrophobicContact CD2-CB 3.86Å; L257-M264 HydrophobicContact CD2-CG 3.7Å; L257-M264 HydrophobicContact CD2-SD 4.27Å; L257-M264 HydrophobicContact CG-CG 4.36Å; L257-M264 HydrophobicContact CG-SD 4.3Å; R260-M264 HydrophobicContact CB-CG 4.33Å; R260-M264 VanDerWaalsContact CD-SD 3.54Å; M264-E268 HydrophobicContact CE-CB 3.85Å; M264-V269 HydrophobicContact CB-CG2 3.84Å; M264-V269 HydrophobicContact CE-CG2 4.4Å; M264-L272 HydrophobicContact CE-CD1 3.94Å; M264-V312 CarbonylContact O-C 3.52Å; M264-V312 VanDerWaalsContact O-CA 3.25Å; M264-V312 WeakPolarHBondContact O-CA 3.4Å; M264-V312 WeakPolarHBondContact O-CB 3.35Å; M264-V313 PolarHBondContact N-O 3.45Å; M264-V313 PolarHBondContact O-N 2.78Å
265A91.8Very high89.3Confident3 Ų352.1 Ų52.13%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-67.7143.9172.800000110.8T267 E268 V269A265-T267 PolarHBondContact O-N 3.21Å; A265-T267 VanDerWaalsContact O-N 3.14Å; A265-E268 HydrophobicContact CB-CG 4.11Å; A265-E268 PolarHBondContact N-OE2 3.24Å; A265-E268 VanDerWaalsContact N-OE2 3.14Å; A265-E268 WeakPolarHBondContact O-CB 3.28Å; A265-E268 PolarHBondContact O-N 3.3Å; A265-V269 WeakPolarHBondContact O-CG2 3.13Å; A265-V269 PolarHBondContact O-N 3.28Å
266L93.8Very high89.1Confident19 Ų1953 Ų5310%0.09927%0.273CS..Hα-helixtrans-59.8-30-178.9-172.466.5000112.2V269 Y270 L287 L288 C291 L303 M311 V313L266-V269 PolarHBondContact O-N 2.89Å; L266-Y270 WeakPolarHBondContact O-CB 3.47Å; L266-Y270 PolarHBondContact O-N 3.39Å; L266-L287 HydrophobicContact CD1-CD2 3.97Å; L266-L287 HydrophobicContact CD1-CG 4.33Å; L266-L287 HydrophobicContact CG-CD2 4.36Å; L266-L288 HydrophobicContact CD2-CD1 3.8Å; L266-C291 HydrophobicContact CD1-CB 4.48Å; L266-L303 HydrophobicContact CD1-CD1 4.39Å; L266-M311 HydrophobicContact CB-CB 4Å; L266-M311 WeakPolarHBondContact CB-O 3.26Å; L266-M311 HydrophobicContact CD2-CB 3.98Å; L266-M311 HydrophobicContact CD2-CE 3.92Å; L266-M311 HydrophobicContact CD2-SD 4.09Å; L266-M311 PolarHBondContact N-O 3.38Å; L266-V313 HydrophobicContact CD1-CG2 4.03Å
267T92.1Very high88.6Confident100 Ų10054.9 Ų54.961%0.61328%0.277SS*.Hα-helixtrans-66.4-40.2173.549.50000112.5A265 Y270 C271A265-T267 PolarHBondContact O-N 3.21Å; A265-T267 VanDerWaalsContact O-N 3.14Å; T267-Y270 WeakPolarHBondContact O-CB 3.36Å; T267-Y270 PolarHBondContact O-N 3.47Å; T267-C271 PolarHBondContact O-N 3.33Å; T267-C271 VanDerWaalsContact O-N 3.1Å; T267-C271 PolarHBondContact O-SG 2.94Å; T267-C271 VanDerWaalsContact O-SG 3.36Å
268E91Very high87.9Confident59 Ų5957.4 Ų57.428%0.27630%0.303SS..Hα-helixtrans-68.3-41.1175.1-64.2175.2144.800110.8M264 A265 Y270 C271 L272M264-E268 HydrophobicContact CE-CB 3.85Å; A265-E268 HydrophobicContact CB-CG 4.11Å; A265-E268 PolarHBondContact N-OE2 3.24Å; A265-E268 VanDerWaalsContact N-OE2 3.14Å; A265-E268 WeakPolarHBondContact O-CB 3.28Å; A265-E268 PolarHBondContact O-N 3.3Å; E268-Y270 VanDerWaalsContact C-N 3.34Å; E268-Y270 PolarHBondContact O-N 3.43Å; E268-C271 PolarHBondContact O-N 2.74Å; E268-L272 VanDerWaalsContact O-CB 3.29Å; E268-L272 WeakPolarHBondContact O-CB 3.48Å; E268-L272 PolarHBondContact O-N 2.84Å
269V94Very high86.4Confident0 Ų061 Ų610%032%0.322CS..Hα-helixtrans-58-47.3173.4171.20000110.5L253 M264 A265 L266 C271 L272 V273 L287 V313L253-V269 HydrophobicContact CD1-CG1 3.55Å; L253-V269 HydrophobicContact CD1-CG2 4.49Å; L253-V269 HydrophobicContact CD2-CG1 3.86Å; L253-V269 HydrophobicContact CD2-CG2 4.4Å; L253-V269 HydrophobicContact CG-CG1 4.36Å; M264-V269 HydrophobicContact CB-CG2 3.84Å; M264-V269 HydrophobicContact CE-CG2 4.4Å; A265-V269 WeakPolarHBondContact O-CG2 3.13Å; A265-V269 PolarHBondContact O-N 3.28Å; L266-V269 PolarHBondContact O-N 2.89Å; V269-C271 PolarHBondContact O-N 2.86Å; V269-L272 PolarHBondContact O-N 3.24Å; V269-V273 HydrophobicContact CG1-CG2 4.24Å; V269-V273 WeakPolarHBondContact O-CB 3Å; V269-V273 VanDerWaalsContact O-CG2 3.26Å; V269-V273 WeakPolarHBondContact O-CG2 2.97Å; V269-V273 PolarHBondContact O-N 3.31Å; V269-L287 HydrophobicContact CG1-CD1 4.21Å; V269-L287 HydrophobicContact CG1-CD2 4.24Å; V269-V313 HydrophobicContact CG2-CB 4.15Å; V269-V313 HydrophobicContact CG2-CG2 4.01Å
270Y94.7Very high85.9Confident76 Ų7660.5 Ų60.530%0.29832%0.32SS..Hα-helixtrans-55.9-50.7176.7177.4-97000112L266 T267 E268 L272 N274 L282 P284 L287L266-Y270 WeakPolarHBondContact O-CB 3.47Å; L266-Y270 PolarHBondContact O-N 3.39Å; T267-Y270 WeakPolarHBondContact O-CB 3.36Å; T267-Y270 PolarHBondContact O-N 3.47Å; E268-Y270 VanDerWaalsContact C-N 3.34Å; E268-Y270 PolarHBondContact O-N 3.43Å; Y270-L272 PolarHBondContact O-N 2.9Å; Y270-N274 WeakPolarHBondContact CE2-ND2 3.27Å; Y270-N274 WeakPolarHBondContact O-CB 3.31Å; Y270-N274 PolarHBondContact O-N 2.96Å; Y270-N274 PolarHBondContact OH-ND2 3.48Å; Y270-L282 WeakPolarHBondContact CE2-O 3.46Å; Y270-L282 PolarHBondContact OH-O 3.33Å; Y270-P284 HydrophobicContact CE2-CB 4.32Å; Y270-P284 HydrophobicContact CE2-CG 3.8Å; Y270-L287 HydrophobicContact CD2-CD2 3.91Å; Y270-L287 HydrophobicContact CG-CD2 4.24Å
271C92Very high86Confident81 Ų8160.8 Ų60.855%0.54733%0.329SS..Hα-helixtrans-62.4-43.1178.5-69.40000111.9T267 E268 V269 R275T267-C271 PolarHBondContact O-N 3.33Å; T267-C271 VanDerWaalsContact O-N 3.1Å; T267-C271 PolarHBondContact O-SG 2.94Å; T267-C271 VanDerWaalsContact O-SG 3.36Å; E268-C271 PolarHBondContact O-N 2.74Å; V269-C271 PolarHBondContact O-N 2.86Å; C271-R275 WeakPolarHBondContact O-CB 3.17Å; C271-R275 PolarHBondContact O-N 2.88Å
272L91.8Very high86.4Confident31 Ų3159.2 Ų59.216%0.16231%0.312CS..Hα-helixtrans-62.7-49.1-179.2-176.2151.8000111.4L253 P256 M264 E268 V269 Y270 R275 A276L253-L272 HydrophobicContact CD2-CD2 4.04Å; P256-L272 HydrophobicContact CB-CD1 3.88Å; P256-L272 HydrophobicContact CG-CD1 4.22Å; M264-L272 HydrophobicContact CE-CD1 3.94Å; E268-L272 VanDerWaalsContact O-CB 3.29Å; E268-L272 WeakPolarHBondContact O-CB 3.48Å; E268-L272 PolarHBondContact O-N 2.84Å; V269-L272 PolarHBondContact O-N 3.24Å; Y270-L272 PolarHBondContact O-N 2.9Å; L272-R275 PolarHBondContact O-N 3.31Å; L272-A276 PolarHBondContact O-N 3.47Å
273V92.3Very high86.4Confident0 Ų061 Ų610%032%0.324CS..Hα-helixtrans-66.3-46-177.3175.60000110.8L249 M252 L253 V269 R275 A276 R277 L282L249-V273 HydrophobicContact CD2-CB 4.36Å; L249-V273 HydrophobicContact CD2-CG1 3.87Å; L249-V273 HydrophobicContact CD2-CG2 3.61Å; M252-V273 HydrophobicContact CE-CG1 4.4Å; L253-V273 HydrophobicContact CD2-CG2 3.97Å; V269-V273 HydrophobicContact CG1-CG2 4.24Å; V269-V273 WeakPolarHBondContact O-CB 3Å; V269-V273 VanDerWaalsContact O-CG2 3.26Å; V269-V273 WeakPolarHBondContact O-CG2 2.97Å; V269-V273 PolarHBondContact O-N 3.31Å; V273-R275 VanDerWaalsContact C-N 3.34Å; V273-R275 PolarHBondContact O-N 3.47Å; V273-A276 PolarHBondContact O-N 3.35Å; V273-A276 VanDerWaalsContact O-N 3.14Å; V273-R277 HydrophobicContact CG1-CG 4.38Å; V273-R277 WeakPolarHBondContact O-CG 3.4Å; V273-R277 PolarHBondContact O-N 3.41Å; V273-L282 HydrophobicContact CG1-CD1 3.58Å
274N91.4Very high86.4Confident15 Ų1564.9 Ų64.98%0.0835%0.349CS..Hα-helixtrans-67.5-34.9179.8-83.5-20.5000112.7Y270 A276 R277 G278 L281 L282Y270-N274 WeakPolarHBondContact CE2-ND2 3.27Å; Y270-N274 WeakPolarHBondContact O-CB 3.31Å; Y270-N274 PolarHBondContact O-N 2.96Å; Y270-N274 PolarHBondContact OH-ND2 3.48Å; N274-A276 VanDerWaalsContact C-N 3.28Å; N274-A276 PolarHBondContact O-N 2.91Å; N274-R277 PolarHBondContact O-N 2.87Å; N274-G278 PolarHBondContact O-N 3.34Å; N274-L281 HydrophobicContact CB-CD2 3.86Å; N274-L282 PolarHBondContact ND2-O 3.07Å; N274-L282 PolarHBondContact OD1-N 2.94Å
275R89.9Confident86.2Confident212 Ų21271.8 Ų71.880%0.838%0.381SS*.Hα-helixtrans-64.6-33.9172.3-169.5176.173.6174.15.1112.2C271 L272 V273C271-R275 WeakPolarHBondContact O-CB 3.17Å; C271-R275 PolarHBondContact O-N 2.88Å; L272-R275 PolarHBondContact O-N 3.31Å; V273-R275 VanDerWaalsContact C-N 3.34Å; V273-R275 PolarHBondContact O-N 3.47Å
276A86Confident85.9Confident69 Ų6973.7 Ų73.757%0.5739%0.391SS*.Hα-helixtrans-76.2-28.7176.800000113.4M252 L272 V273 N274M252-A276 HydrophobicContact CE-CB 3.66Å; L272-A276 PolarHBondContact O-N 3.47Å; V273-A276 PolarHBondContact O-N 3.35Å; V273-A276 VanDerWaalsContact O-N 3.14Å; N274-A276 VanDerWaalsContact C-N 3.28Å; N274-A276 PolarHBondContact O-N 2.91Å
277R80.4Confident85.8Confident64 Ų6472.9 Ų72.924%0.24239%0.387CS..Hα-helixtrans-83.1-31.5-176.3-74.4-179.8172.8-126.1-7.9115.2V273 N274 M279 E280V273-R277 HydrophobicContact CG1-CG 4.38Å; V273-R277 WeakPolarHBondContact O-CG 3.4Å; V273-R277 PolarHBondContact O-N 3.41Å; N274-R277 PolarHBondContact O-N 2.87Å; R277-M279 PolarHBondContact O-N 3.17Å; R277-E280 WeakPolarHBondContact CD-O 3.32Å
278G75.3Confident85.8Confident53 Ų5369.9 Ų69.955%0.54637%0.367SS..THydrogen-bonded Turntrans74.6-77.8176.200000114.9N274N274-G278 PolarHBondContact O-N 3.34Å
279M55.8Low85.6Confident184 Ų18470 Ų7091%0.90637%0.369SS*.THydrogen-bonded Turntrans-103-26.6-172-67.3-168.3-71.800114.3R277 L281R277-M279 PolarHBondContact O-N 3.17Å; M279-L281 PolarHBondContact O-N 2.87Å
280E73.8Confident85.5Confident154 Ų15470 Ų7072%0.7237%0.369SS*.SBendtrans-102.971.9178.3-67.6-175.4174.900111R277R277-E280 WeakPolarHBondContact CD-O 3.32Å
281L81.8Confident85.4Confident113 Ų11366.4 Ų66.459%0.59236%0.355SS*.PPolyproline II helixtrans-68.7139.4-177.6-58.9177.9000111.4N274 M279N274-L281 HydrophobicContact CB-CD2 3.86Å; M279-L281 PolarHBondContact O-N 2.87Å
282L84.4Confident85.4Confident5 Ų568.5 Ų68.53%0.02636%0.355CS..PPolyproline II helixtrans-83.9139.7170.9-68172.8000110.4L245 L249 Y270 V273 N274 D286 L287L245-L282 HydrophobicContact CD1-CD1 3.8Å; L245-L282 HydrophobicContact CD1-CD2 3.77Å; L245-L282 HydrophobicContact CD1-CG 4.41Å; L245-L282 HydrophobicContact CD2-CD1 4.34Å; L245-L282 HydrophobicContact CD2-CD2 3.63Å; L245-L282 HydrophobicContact CG-CD2 4.38Å; L249-L282 HydrophobicContact CD2-CD1 4.46Å; Y270-L282 WeakPolarHBondContact CE2-O 3.46Å; Y270-L282 PolarHBondContact OH-O 3.33Å; V273-L282 HydrophobicContact CG1-CD1 3.58Å; N274-L282 PolarHBondContact ND2-O 3.07Å; N274-L282 PolarHBondContact OD1-N 2.94Å; L282-D286 HydrophobicContact CD2-CB 4.48Å; L282-L287 HydrophobicContact CD1-CD1 4.26Å
283S85.4Confident85.2Confident40 Ų4068.2 Ų68.228%0.2835%0.353SS..PPolyproline II helixtrans-72.6156.1166.3760000111E285 D286 L287S283-E285 PolarHBondContact O-N 3.29Å; S283-D286 PolarHBondContact O-N 3.48Å; S283-D286 WeakPolarHBondContact OG-CB 3.35Å; S283-D286 PolarHBondContact OG-N 3.07Å; S283-D286 VanDerWaalsContact OG-N 3.09Å; S283-D286 PolarHBondContact OG-OD2 2.93Å; S283-L287 PolarHBondContact O-N 3.49Å; S283-L287 VanDerWaalsContact O-N 3.15Å
284P86.7Confident85.3Confident84 Ų8468.2 Ų68.255%0.54535%0.353SS..Hα-helixtrans-58.6-35174.9-25.334.5000113.1Y270 L288Y270-P284 HydrophobicContact CE2-CB 4.32Å; Y270-P284 HydrophobicContact CE2-CG 3.8Å; P284-L288 WeakPolarHBondContact O-CB 3.25Å; P284-L288 PolarHBondContact O-N 3.14Å
285E84.9Confident85.1Confident145 Ų14573 Ų7368%0.67838%0.375SS*.Hα-helixtrans-68.3-43179.3-64.7178.917500111.4S283 L288 N289S283-E285 PolarHBondContact O-N 3.29Å; E285-L288 PolarHBondContact O-N 3.45Å; E285-N289 WeakPolarHBondContact O-CB 3.35Å; E285-N289 VanDerWaalsContact O-CG 3.24Å; E285-N289 PolarHBondContact O-N 3.1Å; E285-N289 PolarHBondContact O-ND2 2.93Å
286D86.3Confident85.1Confident43 Ų4367 Ų6723%0.2337%0.366CS..Hα-helixtrans-64.7-43.1178.8-67.7-39.7000112.1Y241 H242 L245 L282 S283 N289 A290Y241-D286 HydrophobicContact CE1-CB 4.12Å; H242-D286 IonicContact CE1-OD1 3.67Å; H242-D286 PolarHBondContact CE1-OD1 3.01Å; L245-D286 HydrophobicContact CD2-CB 4.18Å; L282-D286 HydrophobicContact CD2-CB 4.48Å; S283-D286 PolarHBondContact O-N 3.48Å; S283-D286 WeakPolarHBondContact OG-CB 3.35Å; S283-D286 PolarHBondContact OG-N 3.07Å; S283-D286 VanDerWaalsContact OG-N 3.09Å; S283-D286 PolarHBondContact OG-OD2 2.93Å; D286-N289 PolarHBondContact O-N 3.24Å; D286-A290 WeakPolarHBondContact O-CB 3.36Å; D286-A290 PolarHBondContact O-N 3.28Å
287L91.3Very high85.2Confident3 Ų366.1 Ų66.12%0.01635%0.351CS..Hα-helixtrans-60.3-49.1175.6-176.777.3000110.6L249 L266 V269 Y270 L282 S283 N289 A290 C291L249-L287 HydrophobicContact CD1-CD1 3.71Å; L249-L287 HydrophobicContact CD2-CD1 3.75Å; L249-L287 HydrophobicContact CG-CD1 4.41Å; L266-L287 HydrophobicContact CD1-CD2 3.97Å; L266-L287 HydrophobicContact CD1-CG 4.33Å; L266-L287 HydrophobicContact CG-CD2 4.36Å; V269-L287 HydrophobicContact CG1-CD1 4.21Å; V269-L287 HydrophobicContact CG1-CD2 4.24Å; Y270-L287 HydrophobicContact CD2-CD2 3.91Å; Y270-L287 HydrophobicContact CG-CD2 4.24Å; L282-L287 HydrophobicContact CD1-CD1 4.26Å; S283-L287 PolarHBondContact O-N 3.49Å; S283-L287 VanDerWaalsContact O-N 3.15Å; L287-N289 PolarHBondContact O-N 2.8Å; L287-A290 PolarHBondContact O-N 3.27Å; L287-C291 PolarHBondContact O-N 2.88Å; L287-C291 PolarHBondContact O-SG 3.35Å
288L91.6Very high85.8Confident37 Ų3772 Ų7219%0.19438%0.378CS..Hα-helixtrans-61.5-45.4-179.8176.761.5000111.7L266 P284 E285 A290 C291 K292 L303 M311L266-L288 HydrophobicContact CD2-CD1 3.8Å; P284-L288 WeakPolarHBondContact O-CB 3.25Å; P284-L288 PolarHBondContact O-N 3.14Å; E285-L288 PolarHBondContact O-N 3.45Å; L288-A290 VanDerWaalsContact C-N 3.32Å; L288-A290 PolarHBondContact O-N 3.36Å; L288-C291 PolarHBondContact O-N 3.07Å; L288-K292 WeakPolarHBondContact O-CG 3.15Å; L288-K292 PolarHBondContact O-N 3.17Å; L288-L303 HydrophobicContact CD1-CD2 3.9Å; L288-M311 HydrophobicContact CD1-CE 4.44Å; L288-M311 HydrophobicContact CD1-SD 3.72Å
289N88.6Confident86.6Confident60 Ų6070.6 Ų70.632%0.32136%0.359SS..Hα-helixtrans-64.6-36.9179.6-72-29.3000111.8E285 D286 L287 M293E285-N289 WeakPolarHBondContact O-CB 3.35Å; E285-N289 VanDerWaalsContact O-CG 3.24Å; E285-N289 PolarHBondContact O-N 3.1Å; E285-N289 PolarHBondContact O-ND2 2.93Å; D286-N289 PolarHBondContact O-N 3.24Å; L287-N289 PolarHBondContact O-N 2.8Å; N289-M293 VanDerWaalsContact O-CG 3.27Å; N289-M293 WeakPolarHBondContact O-CG 3.3Å
290A91.2Very high88.3Confident0 Ų064.4 Ų64.40%033%0.332CS..Hα-helixtrans-67.3-44172.700000112.5L245 A246 L249 D286 L287 L288 K292 M293L245-A290 HydrophobicContact CB-CB 3.97Å; L245-A290 HydrophobicContact CD2-CB 3.72Å; L245-A290 HydrophobicContact CG-CB 3.61Å; A246-A290 HydrophobicContact CB-CB 4.31Å; A246-A290 WeakPolarHBondContact CB-O 3.39Å; L249-A290 HydrophobicContact CD1-CB 3.66Å; D286-A290 WeakPolarHBondContact O-CB 3.36Å; D286-A290 PolarHBondContact O-N 3.28Å; L287-A290 PolarHBondContact O-N 3.27Å; L288-A290 VanDerWaalsContact C-N 3.32Å; L288-A290 PolarHBondContact O-N 3.36Å; A290-K292 VanDerWaalsContact C-N 3.27Å; A290-K292 PolarHBondContact O-N 3.14Å; A290-M293 VanDerWaalsContact O-CB 3.28Å; A290-M293 WeakPolarHBondContact O-CB 3.45Å; A290-M293 PolarHBondContact O-N 3.14Å
291C93.4Very high89.3Confident1 Ų157.1 Ų57.11%0.00730%0.298CS..Hα-helixtrans-60.8-34.6177.5-69.70000112.9L266 L287 L288 M293 F294 L303L266-C291 HydrophobicContact CD1-CB 4.48Å; L287-C291 PolarHBondContact O-N 2.88Å; L287-C291 PolarHBondContact O-SG 3.35Å; L288-C291 PolarHBondContact O-N 3.07Å; C291-M293 PolarHBondContact O-N 2.96Å; C291-M293 VanDerWaalsContact O-N 3.17Å; C291-F294 HydrophobicContact CB-CD2 4.29Å; C291-F294 HydrophobicContact CB-CE2 3.85Å; C291-F294 HydrophobicContact CB-CZ 4.13Å; C291-F294 WeakPolarHBondContact O-CD2 3.36Å; C291-F294 VanDerWaalsContact O-CG 3.26Å; C291-F294 WeakPolarHBondContact O-CG 3.32Å; C291-F294 PolarHBondContact O-N 3.2Å; C291-L303 HydrophobicContact CB-CB 4.27Å; C291-L303 HydrophobicContact CB-CD1 4.15Å; C291-L303 HydrophobicContact CB-CD2 4.14Å; C291-L303 HydrophobicContact CB-CG 4.42Å
292K90.9Very high89.8Confident125 Ų12554.7 Ų54.754%0.54328%0.281SS..THydrogen-bonded Turntrans-62.4-18.4173.6-73.3172.9-178.5170.60113.3L288 A290 L303L288-K292 WeakPolarHBondContact O-CG 3.15Å; L288-K292 PolarHBondContact O-N 3.17Å; A290-K292 VanDerWaalsContact C-N 3.27Å; A290-K292 PolarHBondContact O-N 3.14Å; K292-L303 HydrophobicContact CG-CD2 3.7Å
293M88.7Confident90.3Very high25 Ų2555.9 Ų55.912%0.12329%0.287CS..THydrogen-bonded Turntrans-87.8-7.4179.8-51-15264.200113.7T239 H242 I243 A246 N289 A290 C291 E295 S296 L297T239-M293 HydrophobicContact CG2-CE 3.64Å; T239-M293 HydrophobicContact CG2-SD 4.45Å; H242-M293 HydrophobicContact CB-CG 4.37Å; H242-M293 HydrophobicContact CB-SD 3.47Å; H242-M293 WeakPolarHBondContact CB-SD 3.42Å; I243-M293 HydrophobicContact CB-CE 4.45Å; I243-M293 HydrophobicContact CB-SD 4.45Å; I243-M293 HydrophobicContact CD1-CE 4.07Å; I243-M293 HydrophobicContact CG1-CE 3.26Å; I243-M293 HydrophobicContact CG1-SD 3.78Å; I243-M293 PolarHBondContact N-SD 3.44Å; I243-M293 VanDerWaalsContact N-SD 3.43Å; A246-M293 HydrophobicContact CB-CB 3.88Å; N289-M293 VanDerWaalsContact O-CG 3.27Å; N289-M293 WeakPolarHBondContact O-CG 3.3Å; A290-M293 VanDerWaalsContact O-CB 3.28Å; A290-M293 WeakPolarHBondContact O-CB 3.45Å; A290-M293 PolarHBondContact O-N 3.14Å; C291-M293 PolarHBondContact O-N 2.96Å; C291-M293 VanDerWaalsContact O-N 3.17Å; M293-E295 PolarHBondContact O-N 3.3Å; M293-S296 PolarHBondContact O-N 3.37Å; M293-S296 PolarHBondContact O-OG 2.93Å; M293-L297 HydrophobicContact CB-CD1 3.95Å; M293-L297 HydrophobicContact CB-CG 4.38Å; M293-L297 WeakPolarHBondContact O-CB 3.39Å; M293-L297 VanDerWaalsContact O-CG 3.3Å; M293-L297 WeakPolarHBondContact O-CG 3.34Å; M293-L297 PolarHBondContact O-N 3.17Å
294F93.2Very high90.4Very high0 Ų056 Ų560%028%0.281CS..THydrogen-bonded Turntrans-60-45.5-173.2-64.7-22.4000113A246 L249 C291 L297 K298 L299 L301 V313A246-F294 HydrophobicContact CB-CD1 4.01Å; A246-F294 HydrophobicContact CB-CE1 4.05Å; A246-F294 WeakPolarHBondContact O-CE1 3.34Å; L249-F294 HydrophobicContact CB-CE1 3.91Å; L249-F294 HydrophobicContact CB-CZ 3.83Å; L249-F294 HydrophobicContact CD1-CE1 4.38Å; L249-F294 HydrophobicContact CD1-CZ 4.22Å; C291-F294 HydrophobicContact CB-CD2 4.29Å; C291-F294 HydrophobicContact CB-CE2 3.85Å; C291-F294 HydrophobicContact CB-CZ 4.13Å; C291-F294 WeakPolarHBondContact O-CD2 3.36Å; C291-F294 VanDerWaalsContact O-CG 3.26Å; C291-F294 WeakPolarHBondContact O-CG 3.32Å; C291-F294 PolarHBondContact O-N 3.2Å; F294-L297 PolarHBondContact O-N 3.22Å; F294-K298 PolarHBondContact O-N 3.03Å; F294-K298 VanDerWaalsContact O-N 3.16Å; F294-L299 HydrophobicContact CB-CB 4.46Å; F294-L299 HydrophobicContact CD1-CD1 3.81Å; F294-L299 HydrophobicContact CE1-CD1 4.41Å; F294-L299 PolarHBondContact O-N 3.16Å; F294-L301 HydrophobicContact CB-CB 4.46Å; F294-L301 VanDerWaalsContact CB-O 3.23Å; F294-L301 WeakPolarHBondContact CB-O 3.44Å; F294-L301 HydrophobicContact CD2-CB 3.7Å; F294-L301 HydrophobicContact CE2-CB 4.04Å; F294-L301 HydrophobicContact CE2-CD1 4.12Å; F294-L301 HydrophobicContact CG-CB 4.14Å; F294-L301 HydrophobicContact CZ-CD1 4.19Å; F294-V313 HydrophobicContact CD2-CG1 4.39Å; F294-V313 HydrophobicContact CE2-CG1 3.8Å; F294-V313 HydrophobicContact CE2-CG2 4.26Å
295E88.5Confident90.6Very high116 Ų11656 Ų5654%0.54228%0.28SS..THydrogen-bonded Turntrans-68.8-42-179.8-66.2-173.6173.800112.3M293 L297 K298 R302M293-E295 PolarHBondContact O-N 3.3Å; E295-L297 PolarHBondContact O-N 3.38Å; E295-K298 PolarHBondContact O-N 3.11Å; E295-K298 VanDerWaalsContact O-N 3.11Å; E295-R302 HydrophobicContact CG-CB 4.01Å
296S88.4Confident90.6Very high87 Ų8749.8 Ų49.861%0.60825%0.251SS*.THydrogen-bonded Turntrans-67-29.2179.661.70000112.5M293M293-S296 PolarHBondContact O-N 3.37Å; M293-S296 PolarHBondContact O-OG 2.93Å
297L89.6Confident90.4Very high50 Ų5054.2 Ų54.226%0.26227%0.274SS..THydrogen-bonded Turntrans-88.70.2175.4-65.5175.5000113.9I243 A246 M293 F294 E295 L299I243-L297 HydrophobicContact CB-CD1 4.35Å; I243-L297 HydrophobicContact CG1-CD1 4.35Å; I243-L297 HydrophobicContact CG1-CD2 4.27Å; I243-L297 HydrophobicContact CG2-CD1 4.04Å; I243-L297 HydrophobicContact CG2-CD2 4.03Å; A246-L297 HydrophobicContact CB-CD1 3.71Å; M293-L297 HydrophobicContact CB-CD1 3.95Å; M293-L297 HydrophobicContact CB-CG 4.38Å; M293-L297 WeakPolarHBondContact O-CB 3.39Å; M293-L297 VanDerWaalsContact O-CG 3.3Å; M293-L297 WeakPolarHBondContact O-CG 3.34Å; M293-L297 PolarHBondContact O-N 3.17Å; F294-L297 PolarHBondContact O-N 3.22Å; E295-L297 PolarHBondContact O-N 3.38Å; L297-L299 HydrophobicContact CB-CD1 4.21Å; L297-L299 HydrophobicContact CB-CG 3.94Å; L297-L299 HydrophobicContact CD1-CD1 4.37Å; L297-L299 PolarHBondContact O-N 2.82Å
298K91.1Very high90Very high186 Ų18657.4 Ų57.481%0.80930%0.297SS*.THydrogen-bonded Turntrans5438.1-177.6-55.7-179.9178.9-178.70112.9F294 E295F294-K298 PolarHBondContact O-N 3.03Å; F294-K298 VanDerWaalsContact O-N 3.16Å; E295-K298 PolarHBondContact O-N 3.11Å; E295-K298 VanDerWaalsContact O-N 3.11Å
299L92.8Very high89.8Confident25 Ų2557.9 Ų57.913%0.13131%0.311CS..  trans-75.3156.5173.9-65.8177.9000109.9A246 F294 L297 L301 Q316A246-L299 HydrophobicContact CB-CD1 4.27Å; A246-L299 VanDerWaalsContact O-CD1 3.31Å; A246-L299 WeakPolarHBondContact O-CD1 3.39Å; F294-L299 HydrophobicContact CB-CB 4.46Å; F294-L299 HydrophobicContact CD1-CD1 3.81Å; F294-L299 HydrophobicContact CE1-CD1 4.41Å; F294-L299 PolarHBondContact O-N 3.16Å; L297-L299 HydrophobicContact CB-CD1 4.21Å; L297-L299 HydrophobicContact CB-CG 3.94Å; L297-L299 HydrophobicContact CD1-CD1 4.37Å; L297-L299 PolarHBondContact O-N 2.82Å; L299-L301 PolarHBondContact O-N 3.35Å; L299-Q316 PolarHBondContact O-OE1 3.04Å
300P91.6Very high89.8Confident54 Ų5456.4 Ų56.435%0.35130%0.304SS..SBendtrans-69.99-179.631-37.3000113.7L315 Q316P300-L315 CarbonylContact O-C 3.54Å; P300-L315 WeakPolarHBondContact O-CA 3.24Å; P300-Q316 PolarHBondContact O-N 3.09Å
301L94.1Very high89.8Confident0 Ų059.8 Ų59.80%032%0.32CS..EExtended strand (participates in β ladder)trans-118.4155.1-176.8-51.3-172.5000109.6L253 L257 F294 L299 V313 Q314 L315L253-L301 HydrophobicContact CB-CD1 3.88Å; L253-L301 HydrophobicContact CD1-CD1 4.32Å; L257-L301 HydrophobicContact CD1-CD1 4.29Å; L257-L301 HydrophobicContact CD1-CD2 3.56Å; F294-L301 HydrophobicContact CB-CB 4.46Å; F294-L301 VanDerWaalsContact CB-O 3.23Å; F294-L301 WeakPolarHBondContact CB-O 3.44Å; F294-L301 HydrophobicContact CD2-CB 3.7Å; F294-L301 HydrophobicContact CE2-CB 4.04Å; F294-L301 HydrophobicContact CE2-CD1 4.12Å; F294-L301 HydrophobicContact CG-CB 4.14Å; F294-L301 HydrophobicContact CZ-CD1 4.19Å; L299-L301 PolarHBondContact O-N 3.35Å; L301-V313 HydrophobicContact CB-CG1 4.25Å; L301-V313 HydrophobicContact CD1-CG1 4.28Å; L301-Q314 CarbonylContact C-O 3.47Å; L301-Q314 WeakPolarHBondContact CA-O 3.4Å; L301-L315 HydrophobicContact CD2-CD2 3.63Å
302R93.5Very high89.8Confident63 Ų6359.7 Ų59.724%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-141.4147.6169.361.6-178172.5150.65.6111.5E295 V313 Q314 H318E295-R302 HydrophobicContact CG-CB 4.01Å; R302-V313 WeakPolarHBondContact O-CA 3.44Å; R302-Q314 HydrophobicContact CG-CG 3.42Å; R302-Q314 VanDerWaalsContact CG-CG 3.42Å; R302-Q314 PolarHBondContact N-O 3.17Å; R302-Q314 VanDerWaalsContact NH2-NE2 3.18Å; R302-Q314 PolarHBondContact O-N 3.21Å; R302-H318 PolarHBondContact NH2-O 2.84Å
303L93.6Very high89.9Confident29 Ų2953.8 Ų53.815%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-89.8122.1171.9178.268.9000108.8L266 L288 C291 K292 M311L266-L303 HydrophobicContact CD1-CD1 4.39Å; L288-L303 HydrophobicContact CD1-CD2 3.9Å; C291-L303 HydrophobicContact CB-CB 4.27Å; C291-L303 HydrophobicContact CB-CD1 4.15Å; C291-L303 HydrophobicContact CB-CD2 4.14Å; C291-L303 HydrophobicContact CB-CG 4.42Å; K292-L303 HydrophobicContact CG-CD2 3.7Å; L303-M311 HydrophobicContact CD1-CB 4.41Å
304R89.2Confident90Very high42 Ų4252.7 Ų52.716%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-116.1147.6175.7174.1179.2-179.615413.4110.3M311 V312 E320R304-M311 CarbonylContact O-C 3.54Å; R304-M311 WeakPolarHBondContact O-CA 3.38Å; R304-V312 HydrophobicContact CB-CG2 3.81Å; R304-V312 HydrophobicContact CG-CG2 4.27Å; R304-V312 PolarHBondContact N-O 2.97Å; R304-V312 PolarHBondContact O-N 3.44Å; R304-E320 IonicContact CZ-OE2 2.86Å; R304-E320 IonicContact NH1-OE2 3.47Å; R304-E320 PolarHBondContact NH1-OE2 3.01Å; R304-E320 IonicContact NH2-OE1 2.65Å; R304-E320 IonicContact NH2-OE2 3.58Å; R304-E320 PolarHBondContact NH2-OE2 3.48Å
305V90.6Very high89.9Confident86 Ų8653.3 Ų53.352%0.52129%0.292SS..EExtended strand (participates in β ladder)trans-119.3124172.6-1690000107.7V310 M311V305-V310 WeakPolarHBondContact CA-O 3.23Å; V305-M311 HydrophobicContact CG1-CG 4.29Å; V305-M311 HydrophobicContact CG2-CG 4.08Å
306F85.4Confident89.8Confident13 Ų1353 Ų536%0.05729%0.29CS..  trans-78.6163.1172.4-73.7-79.5000111.1M263 S308 G309 V310 V312 E355M263-F306 HydrophobicContact CE-CZ 4.13Å; M263-F306 HydrophobicContact SD-CE2 4.11Å; M263-F306 HydrophobicContact SD-CZ 3.98Å; F306-S308 PolarHBondContact O-N 3.37Å; F306-S308 VanDerWaalsContact O-N 3.14Å; F306-G309 WeakPolarHBondContact O-CA 3.47Å; F306-G309 PolarHBondContact O-N 3.38Å; F306-V310 HydrophobicContact CB-CB 4.46Å; F306-V310 HydrophobicContact CD2-CB 4.4Å; F306-V310 HydrophobicContact CD2-CG1 4.44Å; F306-V310 PolarHBondContact N-O 2.95Å; F306-V312 HydrophobicContact CD2-CG1 3.96Å; F306-V312 HydrophobicContact CD2-CG2 4.21Å; F306-V312 HydrophobicContact CE2-CB 4.26Å; F306-V312 HydrophobicContact CE2-CG1 3.61Å; F306-V312 HydrophobicContact CE2-CG2 3.58Å; F306-V312 HydrophobicContact CZ-CG2 4.39Å; F306-E355 HydrophobicContact CD1-CB 4.01Å; F306-E355 HydrophobicContact CD1-CG 4.37Å; F306-E355 HydrophobicContact CD2-CB 4.35Å; F306-E355 HydrophobicContact CD2-CG 4.16Å; F306-E355 HydrophobicContact CE1-CB 3.94Å; F306-E355 HydrophobicContact CE2-CB 4.26Å; F306-E355 HydrophobicContact CE2-CG 4.46Å; F306-E355 HydrophobicContact CG-CB 4.23Å; F306-E355 HydrophobicContact CG-CG 4.11Å; F306-E355 HydrophobicContact CZ-CB 4.07Å
307D81.7Confident89.4Confident136 Ų13653.4 Ų53.473%0.72729%0.294SS*.THydrogen-bonded Turntrans-58.9-27.4178.2-66.5-18.3000112.4G309 K362D307-G309 PolarHBondContact O-N 3.34Å; D307-K362 IonicContact OD1-NZ 2.82Å; D307-K362 IonicContact OD2-NZ 3.93Å; D307-K362 PolarHBondContact OD2-NZ 3.01Å
308S83.2Confident88.8Confident71 Ų7152.7 Ų52.750%0.49729%0.289SS..THydrogen-bonded Turntrans-69.3-9.3173.460.90000114.1F306 V310 E355F306-S308 PolarHBondContact O-N 3.37Å; F306-S308 VanDerWaalsContact O-N 3.14Å; S308-V310 VanDerWaalsContact C-N 3.3Å; S308-V310 VanDerWaalsContact OG-CG2 3.3Å; S308-V310 WeakPolarHBondContact OG-CG2 3.47Å; S308-V310 PolarHBondContact OG-N 3.38Å; S308-E355 WeakPolarHBondContact CB-OE1 3.33Å; S308-E355 VanDerWaalsContact OG-CD 3.23Å; S308-E355 PolarHBondContact OG-OE1 2.61Å; S308-E355 PolarHBondContact OG-OE2 3.45Å
309G86.6Confident88.2Confident46 Ų4645.4 Ų45.447%0.47426%0.261SS..SBendtrans84.9-0.7-172.300000113.8F306 D307 M311F306-G309 WeakPolarHBondContact O-CA 3.47Å; F306-G309 PolarHBondContact O-N 3.38Å; D307-G309 PolarHBondContact O-N 3.34Å; G309-M311 PolarHBondContact O-N 2.83Å
310V88Confident87.5Confident29 Ų2946.7 Ų46.718%0.17627%0.267CS..  trans-66124.3175.5175.60000109.5V305 F306 S308 V312 L351V305-V310 WeakPolarHBondContact CA-O 3.23Å; F306-V310 HydrophobicContact CB-CB 4.46Å; F306-V310 HydrophobicContact CD2-CB 4.4Å; F306-V310 HydrophobicContact CD2-CG1 4.44Å; F306-V310 PolarHBondContact N-O 2.95Å; S308-V310 VanDerWaalsContact C-N 3.3Å; S308-V310 VanDerWaalsContact OG-CG2 3.3Å; S308-V310 WeakPolarHBondContact OG-CG2 3.47Å; S308-V310 PolarHBondContact OG-N 3.38Å; V310-V312 HydrophobicContact CG1-CG1 3.99Å; V310-L351 HydrophobicContact CG1-CD2 3.83Å; V310-L351 HydrophobicContact CG1-CG 4.35Å; V310-L351 HydrophobicContact CG2-CD1 4.08Å; V310-L351 HydrophobicContact CG2-CD2 4.18Å; V310-L351 HydrophobicContact CG2-CG 4.39Å
311M92.1Very high87.1Confident71 Ų7150.6 Ų50.635%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-96.5132.7176.9-62.9-176.1-78.900110.4L266 L288 L303 R304 V305 G309L266-M311 HydrophobicContact CB-CB 4Å; L266-M311 WeakPolarHBondContact CB-O 3.26Å; L266-M311 HydrophobicContact CD2-CB 3.98Å; L266-M311 HydrophobicContact CD2-CE 3.92Å; L266-M311 HydrophobicContact CD2-SD 4.09Å; L266-M311 PolarHBondContact N-O 3.38Å; L288-M311 HydrophobicContact CD1-CE 4.44Å; L288-M311 HydrophobicContact CD1-SD 3.72Å; L303-M311 HydrophobicContact CD1-CB 4.41Å; R304-M311 CarbonylContact O-C 3.54Å; R304-M311 WeakPolarHBondContact O-CA 3.38Å; V305-M311 HydrophobicContact CG1-CG 4.29Å; V305-M311 HydrophobicContact CG2-CG 4.08Å; G309-M311 PolarHBondContact O-N 2.83Å
312V92.1Very high86.6Confident0 Ų056.3 Ų56.30%031%0.307CS..EExtended strand (participates in β ladder)trans-133.7148.3-178.8-550000111.3M263 M264 R304 F306 V310 L352M263-V312 HydrophobicContact CE-CG2 4.37Å; M263-V312 HydrophobicContact CG-CB 4Å; M263-V312 HydrophobicContact CG-CG2 4Å; M263-V312 HydrophobicContact SD-CB 4.34Å; M263-V312 HydrophobicContact SD-CG1 4.48Å; M263-V312 HydrophobicContact SD-CG2 3.97Å; M264-V312 CarbonylContact O-C 3.52Å; M264-V312 VanDerWaalsContact O-CA 3.25Å; M264-V312 WeakPolarHBondContact O-CA 3.4Å; M264-V312 WeakPolarHBondContact O-CB 3.35Å; R304-V312 HydrophobicContact CB-CG2 3.81Å; R304-V312 HydrophobicContact CG-CG2 4.27Å; R304-V312 PolarHBondContact N-O 2.97Å; R304-V312 PolarHBondContact O-N 3.44Å; F306-V312 HydrophobicContact CD2-CG1 3.96Å; F306-V312 HydrophobicContact CD2-CG2 4.21Å; F306-V312 HydrophobicContact CE2-CB 4.26Å; F306-V312 HydrophobicContact CE2-CG1 3.61Å; F306-V312 HydrophobicContact CE2-CG2 3.58Å; F306-V312 HydrophobicContact CZ-CG2 4.39Å; V310-V312 HydrophobicContact CG1-CG1 3.99Å; V312-L352 HydrophobicContact CG1-CD2 3.59Å
313V93.6Very high86.1Confident0 Ų053.5 Ų53.50%030%0.297CS..EExtended strand (participates in β ladder)trans-98.9131.3166.1-177.50000107.4L257 M263 M264 L266 V269 F294 L301 R302L257-V313 HydrophobicContact CD1-CG1 3.86Å; L257-V313 WeakPolarHBondContact CD2-O 3.3Å; M263-V313 CarbonylContact C-O 3.59Å; M263-V313 WeakPolarHBondContact CA-O 3.32Å; M264-V313 PolarHBondContact N-O 3.45Å; M264-V313 PolarHBondContact O-N 2.78Å; L266-V313 HydrophobicContact CD1-CG2 4.03Å; V269-V313 HydrophobicContact CG2-CB 4.15Å; V269-V313 HydrophobicContact CG2-CG2 4.01Å; F294-V313 HydrophobicContact CD2-CG1 4.39Å; F294-V313 HydrophobicContact CE2-CG1 3.8Å; F294-V313 HydrophobicContact CE2-CG2 4.26Å; L301-V313 HydrophobicContact CB-CG1 4.25Å; L301-V313 HydrophobicContact CD1-CG1 4.28Å; R302-V313 WeakPolarHBondContact O-CA 3.44Å
314Q91.1Very high85.8Confident3 Ų352.8 Ų52.81%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-135.2154.1179.264.5-174.8-7.800110.9G262 M263 L301 R302G262-Q314 CarbonylContact O-C 3.57Å; G262-Q314 VanDerWaalsContact O-CA 3.23Å; G262-Q314 WeakPolarHBondContact O-CA 3.4Å; G262-Q314 WeakPolarHBondContact O-CB 3.21Å; M263-Q314 HydrophobicContact CB-CB 4.21Å; M263-Q314 HydrophobicContact CE-CB 4.18Å; M263-Q314 HydrophobicContact CG-CB 4.14Å; L301-Q314 CarbonylContact C-O 3.47Å; L301-Q314 WeakPolarHBondContact CA-O 3.4Å; R302-Q314 HydrophobicContact CG-CG 3.42Å; R302-Q314 VanDerWaalsContact CG-CG 3.42Å; R302-Q314 PolarHBondContact N-O 3.17Å; R302-Q314 VanDerWaalsContact NH2-NE2 3.18Å; R302-Q314 PolarHBondContact O-N 3.21Å
315L90.8Very high85.8Confident13 Ų1353 Ų537%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-64.6146.2170.9-62.6171.2000109.9L257 E258 G262 P300 L301 S317 H318L257-L315 HydrophobicContact CB-CD2 4.07Å; L257-L315 HydrophobicContact CB-CG 4.1Å; L257-L315 HydrophobicContact CD1-CD2 4.41Å; E258-L315 HydrophobicContact CG-CD1 3.66Å; G262-L315 PolarHBondContact O-N 3.24Å; P300-L315 CarbonylContact O-C 3.54Å; P300-L315 WeakPolarHBondContact O-CA 3.24Å; L301-L315 HydrophobicContact CD2-CD2 3.63Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-H318 HydrophobicContact CB-CB 4.24Å; L315-H318 WeakPolarHBondContact O-CB 3.23Å; L315-H318 PolarHBondContact O-N 2.78Å; L315-H318 VanDerWaalsContact O-N 3.17Å
316Q86.3Confident85.7Confident108 Ų10850.9 Ų50.951%0.50529%0.293SS..THydrogen-bonded Turntrans-72.2-27.4177.2-168.4161.130.400112.3L299 P300 H318L299-Q316 PolarHBondContact O-OE1 3.04Å; P300-Q316 PolarHBondContact O-N 3.09Å; Q316-H318 PolarHBondContact O-N 3.38Å
317S80.8Confident86Confident97 Ų9750.3 Ų50.368%0.67829%0.29SS*.THydrogen-bonded Turntrans-67.8-16.5170.350.30000113.2L315 S319L315-S317 VanDerWaalsContact C-N 3.29Å; S317-S319 PolarHBondContact O-N 3.13Å
318H77.1Confident86.6Confident34 Ų3445.9 Ų45.916%0.15727%0.266CS..  trans-81.6104.3-178.4-155.851.6000110.4G261 R302 L315 Q316 R356G261-H318 PolarHBondContact O-NE2 3.06Å; R302-H318 PolarHBondContact NH2-O 2.84Å; L315-H318 HydrophobicContact CB-CB 4.24Å; L315-H318 WeakPolarHBondContact O-CB 3.23Å; L315-H318 PolarHBondContact O-N 2.78Å; L315-H318 VanDerWaalsContact O-N 3.17Å; Q316-H318 PolarHBondContact O-N 3.38Å; H318-R356 PolarHBondContact NE2-NH2 2.85Å
319S78Confident87.1Confident33 Ų3347.5 Ų47.523%0.23127%0.269CS..  trans-78.6143.6176.9149.40000111S317 E321 E322 M323S317-S319 PolarHBondContact O-N 3.13Å; S319-E321 VanDerWaalsContact C-N 3.32Å; S319-E321 WeakPolarHBondContact OG-CB 3.27Å; S319-E321 PolarHBondContact OG-N 3.07Å; S319-E321 VanDerWaalsContact OG-N 3.12Å; S319-E321 PolarHBondContact OG-OE2 2.69Å; S319-E322 PolarHBondContact OG-N 3.07Å; S319-M323 PolarHBondContact O-N 3.37Å
320E78.1Confident87.5Confident52 Ų5246.7 Ų46.724%0.24325%0.254CS..Hα-helixtrans-69.7-36.3175.4179.2162.9153.700111.3R304 M323 I324 L359R304-E320 IonicContact CZ-OE2 2.86Å; R304-E320 IonicContact NH1-OE2 3.47Å; R304-E320 PolarHBondContact NH1-OE2 3.01Å; R304-E320 IonicContact NH2-OE1 2.65Å; R304-E320 IonicContact NH2-OE2 3.58Å; R304-E320 PolarHBondContact NH2-OE2 3.48Å; E320-M323 WeakPolarHBondContact O-CB 3.41Å; E320-M323 PolarHBondContact O-N 3.02Å; E320-I324 HydrophobicContact CG-CD1 3.81Å; E320-I324 WeakPolarHBondContact O-CD1 3.42Å; E320-I324 VanDerWaalsContact O-CG1 3.3Å; E320-I324 WeakPolarHBondContact O-CG1 3.39Å; E320-I324 PolarHBondContact O-N 3.09Å; E320-L359 HydrophobicContact CG-CD2 3.65Å; E320-L359 WeakPolarHBondContact OE1-CD1 3.37Å; E320-L359 WeakPolarHBondContact OE1-CD2 3.23Å
321E82.7Confident87.8Confident136 Ų13645.3 Ų45.364%0.63625%0.246SC*.Hα-helixtrans-62.3-45178.2-58.675.9-167.500111.2S319 M323 I324 A325S319-E321 VanDerWaalsContact C-N 3.32Å; S319-E321 WeakPolarHBondContact OG-CB 3.27Å; S319-E321 PolarHBondContact OG-N 3.07Å; S319-E321 VanDerWaalsContact OG-N 3.12Å; S319-E321 PolarHBondContact OG-OE2 2.69Å; E321-M323 VanDerWaalsContact C-N 3.3Å; E321-M323 PolarHBondContact O-N 3.46Å; E321-I324 PolarHBondContact O-N 3.47Å; E321-A325 WeakPolarHBondContact O-CB 3.43Å; E321-A325 PolarHBondContact O-N 3.43Å
322E83.3Confident88Confident121 Ų12145.6 Ų45.657%0.56525%0.252SS*.Hα-helixtrans-62.5-38.5175-71-178.7169.300112S319 A325 S326S319-E322 PolarHBondContact OG-N 3.07Å; E322-A325 PolarHBondContact O-N 2.9Å; E322-S326 VanDerWaalsContact O-CB 3.28Å; E322-S326 WeakPolarHBondContact O-CB 3.25Å; E322-S326 PolarHBondContact O-N 3.47Å
323M83.3Confident88.2Confident4 Ų452.2 Ų52.22%0.0228%0.282CS..Hα-helixtrans-66.4-41.9178.7-170.1-175.280.600111.9M263 S319 E320 E321 A327 R356 L359M263-M323 HydrophobicContact CE-SD 4Å; S319-M323 PolarHBondContact O-N 3.37Å; E320-M323 WeakPolarHBondContact O-CB 3.41Å; E320-M323 PolarHBondContact O-N 3.02Å; E321-M323 VanDerWaalsContact C-N 3.3Å; E321-M323 PolarHBondContact O-N 3.46Å; M323-A327 WeakPolarHBondContact O-CB 3.38Å; M323-A327 PolarHBondContact O-N 2.91Å; M323-R356 HydrophobicContact CE-CB 4.21Å; M323-R356 HydrophobicContact CE-CG 3.75Å; M323-R356 HydrophobicContact CG-CG 3.86Å; M323-R356 HydrophobicContact SD-CB 4.46Å; M323-R356 HydrophobicContact SD-CG 3.48Å; M323-R356 WeakPolarHBondContact SD-CG 3.5Å; M323-R356 PolarHBondContact SD-NE 3.21Å; M323-R356 VanDerWaalsContact SD-NE 3.38Å; M323-L359 HydrophobicContact CE-CD2 3.37Å
324I87.8Confident88.2Confident13 Ų1357.1 Ų57.17%0.06730%0.304CS..Hα-helixtrans-67.1-45176.2-69.1161000110.5E320 E321 S326 A327 L328 L359 A360 M363 H365E320-I324 HydrophobicContact CG-CD1 3.81Å; E320-I324 WeakPolarHBondContact O-CD1 3.42Å; E320-I324 VanDerWaalsContact O-CG1 3.3Å; E320-I324 WeakPolarHBondContact O-CG1 3.39Å; E320-I324 PolarHBondContact O-N 3.09Å; E321-I324 PolarHBondContact O-N 3.47Å; I324-S326 PolarHBondContact O-N 3.45Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 3.14Å; I324-L328 PolarHBondContact O-N 2.99Å; I324-L359 HydrophobicContact CD1-CD2 4.39Å; I324-L359 HydrophobicContact CD1-CG 4.28Å; I324-L359 HydrophobicContact CG1-CD2 4.39Å; I324-L359 HydrophobicContact CG1-CG 4.38Å; I324-A360 HydrophobicContact CG1-CB 4.49Å; I324-A360 HydrophobicContact CG2-CB 3.98Å; I324-M363 HydrophobicContact CD1-CG 3.84Å; I324-H365 HydrophobicContact CG2-CB 4.49Å; I324-H365 WeakPolarHBondContact CG2-CD2 3.45Å
325A89.1Confident88.4Confident46 Ų4658.8 Ų58.838%0.3832%0.322SS..Hα-helixtrans-59.3-48.1176.900000110.9E321 E322 A327 L328 D329E321-A325 WeakPolarHBondContact O-CB 3.43Å; E321-A325 PolarHBondContact O-N 3.43Å; E322-A325 PolarHBondContact O-N 2.9Å; A325-A327 VanDerWaalsContact C-N 3.3Å; A325-A327 PolarHBondContact O-N 3.33Å; A325-L328 PolarHBondContact O-N 2.79Å; A325-D329 VanDerWaalsContact O-CG 3.29Å; A325-D329 PolarHBondContact O-N 3.06Å
326S88.9Confident88.6Confident43 Ų4359 Ų5930%0.30133%0.325SS..Hα-helixtrans-58.3-40.9175.3-175.70000112.4E322 I324 N330E322-S326 VanDerWaalsContact O-CB 3.28Å; E322-S326 WeakPolarHBondContact O-CB 3.25Å; E322-S326 PolarHBondContact O-N 3.47Å; I324-S326 PolarHBondContact O-N 3.45Å; S326-N330 PolarHBondContact O-N 3.29Å; S326-N330 VanDerWaalsContact O-N 3.15Å; S326-N330 PolarHBondContact O-ND2 3.29Å
327A91.3Very high89.1Confident0 Ų054.2 Ų54.20%030%0.303CS..Hα-helixtrans-64.4-45.7176.300000111.9M323 I324 A325 N330 V331 F342 A360M323-A327 WeakPolarHBondContact O-CB 3.38Å; M323-A327 PolarHBondContact O-N 2.91Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 3.14Å; A325-A327 VanDerWaalsContact C-N 3.3Å; A325-A327 PolarHBondContact O-N 3.33Å; A327-N330 PolarHBondContact O-N 3.26Å; A327-V331 WeakPolarHBondContact O-CB 3.28Å; A327-V331 VanDerWaalsContact O-CG2 3.22Å; A327-V331 WeakPolarHBondContact O-CG2 3.38Å; A327-V331 PolarHBondContact O-N 3.32Å; A327-F342 HydrophobicContact CB-CE2 4.26Å; A327-F342 HydrophobicContact CB-CZ 3.82Å; A327-A360 HydrophobicContact CB-CB 4.37Å
328L94.4Very high89.8Confident43 Ų4350.9 Ų50.923%0.22528%0.278CS..Hα-helixtrans-61.3-45.4177.6178.161.3000111.8I324 A325 N330 V331 T332 H365 L366 P379I324-L328 PolarHBondContact O-N 2.99Å; A325-L328 PolarHBondContact O-N 2.79Å; L328-N330 PolarHBondContact O-N 2.92Å; L328-V331 PolarHBondContact O-N 3.01Å; L328-T332 VanDerWaalsContact O-CB 3.27Å; L328-T332 WeakPolarHBondContact O-CB 3.3Å; L328-T332 PolarHBondContact O-N 3.4Å; L328-T332 PolarHBondContact O-OG1 2.85Å; L328-H365 HydrophobicContact CD1-CB 4.38Å; L328-H365 HydrophobicContact CD2-CB 4.29Å; L328-L366 HydrophobicContact CD1-CD2 3.78Å; L328-P379 HydrophobicContact CD1-CB 4.38Å
329D94.3Very high90.6Very high105 Ų10550 Ų5056%0.56128%0.277SS*.Hα-helixtrans-60.4-47.8-179.9-71.2-19.2000111.2A325 T332 E333A325-D329 VanDerWaalsContact O-CG 3.29Å; A325-D329 PolarHBondContact O-N 3.06Å; D329-T332 PolarHBondContact O-N 3.29Å; D329-E333 WeakPolarHBondContact O-CB 3.44Å; D329-E333 PolarHBondContact O-N 3.12Å
330N94.1Very high91.4Very high29 Ų2954.1 Ų54.116%0.15529%0.292CS..Hα-helixtrans-64.4-42.5178.8-82.7-85.7000112.3S326 A327 L328 T332 K334 L337 F342S326-N330 PolarHBondContact O-N 3.29Å; S326-N330 VanDerWaalsContact O-N 3.15Å; S326-N330 PolarHBondContact O-ND2 3.29Å; A327-N330 PolarHBondContact O-N 3.26Å; L328-N330 PolarHBondContact O-N 2.92Å; N330-T332 VanDerWaalsContact C-N 3.33Å; N330-K334 WeakPolarHBondContact O-CG 3.28Å; N330-K334 PolarHBondContact O-N 3.22Å; N330-K334 VanDerWaalsContact O-N 3.13Å; N330-L337 HydrophobicContact CB-CD1 4.25Å; N330-F342 HydrophobicContact CB-CD2 4.25Å; N330-F342 HydrophobicContact CB-CE2 3.84Å
331V95.8Very high92.2Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-65.8-39.6177.4173.20000110.6A327 L328 G335 S336 L337 L357 L366 F377 P379A327-V331 WeakPolarHBondContact O-CB 3.28Å; A327-V331 VanDerWaalsContact O-CG2 3.22Å; A327-V331 WeakPolarHBondContact O-CG2 3.38Å; A327-V331 PolarHBondContact O-N 3.32Å; L328-V331 PolarHBondContact O-N 3.01Å; V331-G335 CarbonylContact O-C 3.57Å; V331-G335 WeakPolarHBondContact O-CA 3.39Å; V331-G335 PolarHBondContact O-N 2.83Å; V331-S336 PolarHBondContact O-N 3.11Å; V331-L337 HydrophobicContact CG2-CB 4.27Å; V331-L337 HydrophobicContact CG2-CD1 4.05Å; V331-L337 HydrophobicContact CG2-CG 4.48Å; V331-L357 HydrophobicContact CG2-CD2 3.77Å; V331-L366 HydrophobicContact CB-CD2 3.96Å; V331-L366 HydrophobicContact CG1-CD2 3.79Å; V331-L366 HydrophobicContact CG2-CD1 4.07Å; V331-L366 HydrophobicContact CG2-CD2 4.22Å; V331-F377 WeakPolarHBondContact CG1-O 3.48Å; V331-P379 HydrophobicContact CG1-CG 4.14Å
332T94.9Very high92.7Very high78 Ų7848.5 Ų48.548%0.47927%0.266SS..Hα-helixtrans-66.8-43.9177.9-560000111.4L328 D329 N330 K334 G335L328-T332 VanDerWaalsContact O-CB 3.27Å; L328-T332 WeakPolarHBondContact O-CB 3.3Å; L328-T332 PolarHBondContact O-N 3.4Å; L328-T332 PolarHBondContact O-OG1 2.85Å; D329-T332 PolarHBondContact O-N 3.29Å; N330-T332 VanDerWaalsContact C-N 3.33Å; T332-K334 VanDerWaalsContact C-N 3.33Å; T332-K334 PolarHBondContact O-N 2.56Å; T332-G335 PolarHBondContact O-N 2.89Å
333E95.8Very high93.1Very high138 Ų13843 Ų4365%0.64524%0.241SC*.Hα-helixtrans-62.7-39.6178.8-167.1-159.6125.500112.1D329D329-E333 WeakPolarHBondContact O-CB 3.44Å; D329-E333 PolarHBondContact O-N 3.12Å
334K94.6Very high93.4Very high103 Ų10350.8 Ų50.845%0.44828%0.275SS..Hα-helixtrans-89.4-3.3179.7-58.9-56.8-175.8-143.50113.4N330 T332 S336 L337 L345N330-K334 WeakPolarHBondContact O-CG 3.28Å; N330-K334 PolarHBondContact O-N 3.22Å; N330-K334 VanDerWaalsContact O-N 3.13Å; T332-K334 VanDerWaalsContact C-N 3.33Å; T332-K334 PolarHBondContact O-N 2.56Å; K334-S336 PolarHBondContact O-N 3.5Å; K334-L337 HydrophobicContact CB-CD1 4.24Å; K334-L337 HydrophobicContact CB-CD2 3.77Å; K334-L337 HydrophobicContact CB-CG 3.93Å; K334-L337 HydrophobicContact CG-CD1 4.25Å; K334-L337 HydrophobicContact CG-CD2 3.98Å; K334-L337 HydrophobicContact CG-CG 4.36Å; K334-L345 HydrophobicContact CG-CD1 4.13Å
335G94.8Very high93.4Very high39 Ų3954.2 Ų54.240%0.40229%0.293SS..SBendtrans75.5-46-172.500000113.1V331 T332 P379V331-G335 CarbonylContact O-C 3.57Å; V331-G335 WeakPolarHBondContact O-CA 3.39Å; V331-G335 PolarHBondContact O-N 2.83Å; T332-G335 PolarHBondContact O-N 2.89Å; G335-P379 WeakPolarHBondContact O-CD 3.32Å
336S94.9Very high93.1Very high18 Ų1854.8 Ų54.813%0.12629%0.289CS..  trans-159.7153.2173.767.30000112.5V331 K334 R376 F377 Y378V331-S336 PolarHBondContact O-N 3.11Å; K334-S336 PolarHBondContact O-N 3.5Å; S336-R376 PolarHBondContact O-NH1 2.87Å; S336-R376 WeakPolarHBondContact OG-CD 3.45Å; S336-R376 PolarHBondContact OG-NH1 3.35Å; S336-F377 VanDerWaalsContact CA-O 3.25Å; S336-F377 WeakPolarHBondContact CA-O 3.22Å; S336-F377 WeakPolarHBondContact CB-O 3.45Å; S336-Y378 VanDerWaalsContact CB-CD1 3.41Å; S336-Y378 VanDerWaalsContact CB-CZ 3.43Å
337L96.6Very high92.7Very high7 Ų755.9 Ų55.94%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-142142-179.1-67.5170.6000112N330 V331 K334 E341 F342 L345 F377N330-L337 HydrophobicContact CB-CD1 4.25Å; V331-L337 HydrophobicContact CG2-CB 4.27Å; V331-L337 HydrophobicContact CG2-CD1 4.05Å; V331-L337 HydrophobicContact CG2-CG 4.48Å; K334-L337 HydrophobicContact CB-CD1 4.24Å; K334-L337 HydrophobicContact CB-CD2 3.77Å; K334-L337 HydrophobicContact CB-CG 3.93Å; K334-L337 HydrophobicContact CG-CD1 4.25Å; K334-L337 HydrophobicContact CG-CD2 3.98Å; K334-L337 HydrophobicContact CG-CG 4.36Å; L337-E341 HydrophobicContact CD2-CB 3.77Å; L337-F342 HydrophobicContact CB-CB 4.48Å; L337-F342 HydrophobicContact CD1-CB 4.48Å; L337-F342 HydrophobicContact CD1-CD2 3.9Å; L337-L345 HydrophobicContact CD1-CD1 3.87Å; L337-L345 HydrophobicContact CD2-CD1 3.83Å; L337-F377 PolarHBondContact N-O 3.48Å; L337-F377 PolarHBondContact O-N 3.34Å
338T95.9Very high92.3Very high27 Ų2756.9 Ų56.917%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-82.8164.2160.563.90000110.4E340 E341 F342 R376T338-E340 PolarHBondContact O-N 3.43Å; T338-E341 PolarHBondContact N-OE2 3.31Å; T338-E341 PolarHBondContact O-N 3.21Å; T338-E341 VanDerWaalsContact OG1-CD 3.31Å; T338-E341 VanDerWaalsContact OG1-CG 3.28Å; T338-E341 WeakPolarHBondContact OG1-CG 3.5Å; T338-E341 PolarHBondContact OG1-N 2.94Å; T338-E341 PolarHBondContact OG1-OE2 3.48Å; T338-F342 WeakPolarHBondContact O-CB 3.48Å; T338-F342 PolarHBondContact O-N 2.89Å; T338-R376 HydrophobicContact CG2-CB 4.34Å; T338-R376 HydrophobicContact CG2-CG 4.39Å
339A94.5Very high91.9Very high15 Ų1556.4 Ų56.412%0.12431%0.313CS..Hα-helixtrans-59.9-31.6175.800000113.2A343 V350 S353 K354 L357A339-A343 VanDerWaalsContact O-CB 3.24Å; A339-A343 WeakPolarHBondContact O-CB 3.34Å; A339-A343 PolarHBondContact O-N 3Å; A339-V350 HydrophobicContact CB-CG1 4.33Å; A339-S353 WeakPolarHBondContact O-CB 3.37Å; A339-K354 HydrophobicContact CB-CB 3.86Å; A339-K354 HydrophobicContact CB-CG 4.38Å; A339-L357 HydrophobicContact CB-CD1 4.25Å
340E94.1Very high91.7Very high120 Ų12054.9 Ų54.956%0.56131%0.307SS*.Hα-helixtrans-74-40178-66.2-173.8-171.900112.8T338 A343 K344 V350T338-E340 PolarHBondContact O-N 3.43Å; E340-A343 PolarHBondContact O-N 3.18Å; E340-K344 WeakPolarHBondContact O-CG 3.31Å; E340-K344 PolarHBondContact O-N 3.33Å; E340-K344 VanDerWaalsContact O-N 3.1Å; E340-V350 HydrophobicContact CG-CG1 4.01Å; E340-V350 HydrophobicContact CG-CG2 4.3Å
341E94.6Very high91.5Very high69 Ų6957.2 Ų57.232%0.32232%0.319SS..Hα-helixtrans-66.3-45176-68.9163.4153.600110.3L337 T338 A343 K344 L345 R376L337-E341 HydrophobicContact CD2-CB 3.77Å; T338-E341 PolarHBondContact N-OE2 3.31Å; T338-E341 PolarHBondContact O-N 3.21Å; T338-E341 VanDerWaalsContact OG1-CD 3.31Å; T338-E341 VanDerWaalsContact OG1-CG 3.28Å; T338-E341 WeakPolarHBondContact OG1-CG 3.5Å; T338-E341 PolarHBondContact OG1-N 2.94Å; T338-E341 PolarHBondContact OG1-OE2 3.48Å; E341-A343 VanDerWaalsContact C-N 3.32Å; E341-A343 PolarHBondContact O-N 2.89Å; E341-K344 PolarHBondContact O-N 3Å; E341-L345 WeakPolarHBondContact O-CG 3.49Å; E341-L345 PolarHBondContact O-N 2.76Å; E341-R376 VanDerWaalsContact CD-NH2 3.34Å; E341-R376 IonicContact OE1-CZ 2.76Å; E341-R376 IonicContact OE1-NH2 2.7Å; E341-R376 PolarHBondContact OE1-NH2 2.86Å; E341-R376 IonicContact OE2-CZ 2.85Å; E341-R376 IonicContact OE2-NH1 3.87Å; E341-R376 PolarHBondContact OE2-NH1 3.15Å; E341-R376 IonicContact OE2-NH2 3.11Å; E341-R376 PolarHBondContact OE2-NH2 3.49Å
342F93.4Very high91.1Very high1 Ų157.4 Ų57.40%0.00432%0.32CS..Hα-helixtrans-60-42.2175.5-171.7-110000111.9A327 N330 L337 T338 K344 L345 L346 R356 L357A327-F342 HydrophobicContact CB-CE2 4.26Å; A327-F342 HydrophobicContact CB-CZ 3.82Å; N330-F342 HydrophobicContact CB-CD2 4.25Å; N330-F342 HydrophobicContact CB-CE2 3.84Å; L337-F342 HydrophobicContact CB-CB 4.48Å; L337-F342 HydrophobicContact CD1-CB 4.48Å; L337-F342 HydrophobicContact CD1-CD2 3.9Å; T338-F342 WeakPolarHBondContact O-CB 3.48Å; T338-F342 PolarHBondContact O-N 2.89Å; F342-K344 PolarHBondContact O-N 3.19Å; F342-L345 PolarHBondContact O-N 3.24Å; F342-L346 HydrophobicContact CD1-CD1 4.31Å; F342-L346 HydrophobicContact CD2-CD1 4.32Å; F342-L346 HydrophobicContact CE1-CD1 3.61Å; F342-L346 HydrophobicContact CE2-CD1 3.63Å; F342-L346 HydrophobicContact CE2-CG 4.35Å; F342-L346 HydrophobicContact CZ-CD1 3.23Å; F342-L346 HydrophobicContact CZ-CG 4.35Å; F342-L346 PolarHBondContact O-N 3.43Å; F342-L346 VanDerWaalsContact O-N 3.14Å; F342-R356 HydrophobicContact CE1-CB 4.13Å; F342-L357 HydrophobicContact CB-CD1 3.99Å; F342-L357 HydrophobicContact CD1-CD1 4.2Å; F342-L357 HydrophobicContact CD1-CD2 4.38Å; F342-L357 HydrophobicContact CD1-CG 4.11Å; F342-L357 HydrophobicContact CD2-CD2 4.34Å; F342-L357 HydrophobicContact CE1-CG 4.45Å; F342-L357 HydrophobicContact CG-CD1 4.17Å; F342-L357 HydrophobicContact CG-CD2 4.25Å; F342-L357 HydrophobicContact CG-CG 4.32Å
343A91.3Very high90.9Very high5 Ų553.7 Ų53.74%0.04130%0.297CS..Hα-helixtrans-58.6-45.7175.400000112.7A339 E340 E341 L345 L346 G347 L348 V350 S353A339-A343 VanDerWaalsContact O-CB 3.24Å; A339-A343 WeakPolarHBondContact O-CB 3.34Å; A339-A343 PolarHBondContact O-N 3Å; E340-A343 PolarHBondContact O-N 3.18Å; E341-A343 VanDerWaalsContact C-N 3.32Å; E341-A343 PolarHBondContact O-N 2.89Å; A343-L345 VanDerWaalsContact C-N 3.34Å; A343-L345 PolarHBondContact O-N 2.93Å; A343-L346 PolarHBondContact O-N 3.13Å; A343-G347 WeakPolarHBondContact O-CA 3.45Å; A343-G347 PolarHBondContact O-N 3.13Å; A343-L348 WeakPolarHBondContact CB-O 3.33Å; A343-L348 PolarHBondContact O-N 3.32Å; A343-L348 VanDerWaalsContact O-N 3.07Å; A343-V350 HydrophobicContact CB-CG2 3.97Å; A343-S353 WeakPolarHBondContact CA-OG 3.34Å; A343-S353 VanDerWaalsContact CB-OG 3.25Å; A343-S353 WeakPolarHBondContact CB-OG 3.47Å
344K90.7Very high90.7Very high168 Ų16851.6 Ų51.673%0.7329%0.286SS*.Hα-helixtrans-65.1-37178.9-73.2173.2-174169.70112.4E340 E341 F342E340-K344 WeakPolarHBondContact O-CG 3.31Å; E340-K344 PolarHBondContact O-N 3.33Å; E340-K344 VanDerWaalsContact O-N 3.1Å; E341-K344 PolarHBondContact O-N 3Å; F342-K344 PolarHBondContact O-N 3.19Å
345L88.1Confident90.5Very high84 Ų8447.5 Ų47.544%0.4427%0.269SS..Hα-helixtrans-66.8-43.3179.3-72.8170.2000112.1K334 L337 E341 F342 A343K334-L345 HydrophobicContact CG-CD1 4.13Å; L337-L345 HydrophobicContact CD1-CD1 3.87Å; L337-L345 HydrophobicContact CD2-CD1 3.83Å; E341-L345 WeakPolarHBondContact O-CG 3.49Å; E341-L345 PolarHBondContact O-N 2.76Å; F342-L345 PolarHBondContact O-N 3.24Å; A343-L345 VanDerWaalsContact C-N 3.34Å; A343-L345 PolarHBondContact O-N 2.93Å
346L82.6Confident90.2Very high59 Ų5946.3 Ų46.331%0.30925%0.252SS..Hα-helixtrans-94.6-4-175.8-63.4-175.8000114.3F342 A343 L348F342-L346 HydrophobicContact CD1-CD1 4.31Å; F342-L346 HydrophobicContact CD2-CD1 4.32Å; F342-L346 HydrophobicContact CE1-CD1 3.61Å; F342-L346 HydrophobicContact CE2-CD1 3.63Å; F342-L346 HydrophobicContact CE2-CG 4.35Å; F342-L346 HydrophobicContact CZ-CD1 3.23Å; F342-L346 HydrophobicContact CZ-CG 4.35Å; F342-L346 PolarHBondContact O-N 3.43Å; F342-L346 VanDerWaalsContact O-N 3.14Å; A343-L346 PolarHBondContact O-N 3.13Å; L346-L348 HydrophobicContact CB-CD1 3.75Å; L346-L348 HydrophobicContact CB-CG 3.8Å; L346-L348 HydrophobicContact CD1-CD1 3.91Å; L346-L348 PolarHBondContact O-N 3.47Å
347G80.5Confident90.2Very high66 Ų6645.4 Ų45.468%0.6825%0.246SC*.THydrogen-bonded Turntrans65.427.9-17500000113.3A343A343-G347 WeakPolarHBondContact O-CA 3.45Å; A343-G347 PolarHBondContact O-N 3.13Å
348L82.8Confident90Very high21 Ų2147.1 Ų47.111%0.1126%0.255CS..  trans-100.7165.1-178.6-62.2174.7000111.1R260 A343 L346 R356R260-L348 WeakPolarHBondContact O-CD2 3.34Å; A343-L348 WeakPolarHBondContact CB-O 3.33Å; A343-L348 PolarHBondContact O-N 3.32Å; A343-L348 VanDerWaalsContact O-N 3.07Å; L346-L348 HydrophobicContact CB-CD1 3.75Å; L346-L348 HydrophobicContact CB-CG 3.8Å; L346-L348 HydrophobicContact CD1-CD1 3.91Å; L346-L348 PolarHBondContact O-N 3.47Å; L348-R356 VanDerWaalsContact CD1-NH1 3.31Å
349S86.5Confident89.7Confident33 Ų3346.6 Ų46.623%0.23125%0.251CS..  trans-69.7149170.773.20000110.8L351 L352 S353S349-L351 PolarHBondContact O-N 3.06Å; S349-L352 PolarHBondContact O-N 3.34Å; S349-L352 WeakPolarHBondContact OG-CG 3.32Å; S349-L352 PolarHBondContact OG-N 2.96Å; S349-S353 VanDerWaalsContact O-CB 3.3Å; S349-S353 WeakPolarHBondContact O-CB 3.25Å; S349-S353 PolarHBondContact O-N 3.43Å; S349-S353 PolarHBondContact O-OG 3.42Å
350V90.3Very high89.6Confident72 Ų7245.9 Ų45.944%0.43625%0.245SC..Hα-helixtrans-59.7-34.8178.3-178.90000111.3A339 E340 A343 S353 K354A339-V350 HydrophobicContact CB-CG1 4.33Å; E340-V350 HydrophobicContact CG-CG1 4.01Å; E340-V350 HydrophobicContact CG-CG2 4.3Å; A343-V350 HydrophobicContact CB-CG2 3.97Å; V350-S353 PolarHBondContact O-N 3.05Å; V350-K354 WeakPolarHBondContact O-CB 3.45Å; V350-K354 PolarHBondContact O-N 2.85Å
351L89.1Confident89.6Confident79 Ų7941.9 Ų41.941%0.41423%0.226SC..Hα-helixtrans-61.5-53.8176.9-175.567.7000111.3V310 S349 S353 K354 E355V310-L351 HydrophobicContact CG1-CD2 3.83Å; V310-L351 HydrophobicContact CG1-CG 4.35Å; V310-L351 HydrophobicContact CG2-CD1 4.08Å; V310-L351 HydrophobicContact CG2-CD2 4.18Å; V310-L351 HydrophobicContact CG2-CG 4.39Å; S349-L351 PolarHBondContact O-N 3.06Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 2.98Å; L351-K354 PolarHBondContact O-N 3.04Å; L351-E355 WeakPolarHBondContact O-CG 3.21Å; L351-E355 PolarHBondContact O-N 2.89Å; L351-E355 VanDerWaalsContact O-N 3.11Å
352L87.4Confident89.5Confident3 Ų344.6 Ų44.62%0.01624%0.237CC..Hα-helixtrans-62.2-43.6178.5-68179.6000110.8M263 V312 S349 K354 E355 R356M263-L352 HydrophobicContact CG-CD1 4.31Å; M263-L352 HydrophobicContact CG-CD2 4.14Å; M263-L352 HydrophobicContact SD-CD2 3.75Å; V312-L352 HydrophobicContact CG1-CD2 3.59Å; S349-L352 PolarHBondContact O-N 3.34Å; S349-L352 WeakPolarHBondContact OG-CG 3.32Å; S349-L352 PolarHBondContact OG-N 2.96Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 3.14Å; L352-E355 PolarHBondContact O-N 2.84Å; L352-E355 VanDerWaalsContact O-N 3.14Å; L352-R356 VanDerWaalsContact O-CG 3.29Å; L352-R356 WeakPolarHBondContact O-CG 3.4Å; L352-R356 PolarHBondContact O-N 2.91Å
353S90.6Very high89.4Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-55.5-43.9177.6-63.80000112.3A339 A343 S349 V350 L351 R356 L357A339-S353 WeakPolarHBondContact O-CB 3.37Å; A343-S353 WeakPolarHBondContact CA-OG 3.34Å; A343-S353 VanDerWaalsContact CB-OG 3.25Å; A343-S353 WeakPolarHBondContact CB-OG 3.47Å; S349-S353 VanDerWaalsContact O-CB 3.3Å; S349-S353 WeakPolarHBondContact O-CB 3.25Å; S349-S353 PolarHBondContact O-N 3.43Å; S349-S353 PolarHBondContact O-OG 3.42Å; V350-S353 PolarHBondContact O-N 3.05Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 2.98Å; S353-R356 PolarHBondContact O-N 3.27Å; S353-L357 WeakPolarHBondContact O-CG 3.48Å; S353-L357 PolarHBondContact O-N 3.16Å; S353-L357 VanDerWaalsContact O-N 3.13Å
354K91.9Very high89.5Confident94 Ų9450.7 Ų50.741%0.40928%0.275SS..Hα-helixtrans-63.7-46.8175.3-174178.4178.1178.80112.2A339 V350 L351 L352 R356 L357 L358A339-K354 HydrophobicContact CB-CB 3.86Å; A339-K354 HydrophobicContact CB-CG 4.38Å; V350-K354 WeakPolarHBondContact O-CB 3.45Å; V350-K354 PolarHBondContact O-N 2.85Å; L351-K354 PolarHBondContact O-N 3.04Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 3.14Å; K354-R356 VanDerWaalsContact C-N 3.3Å; K354-R356 PolarHBondContact O-N 2.89Å; K354-L357 PolarHBondContact O-N 2.9Å; K354-L358 HydrophobicContact CG-CD1 3.96Å; K354-L358 HydrophobicContact CG-CG 4.39Å; K354-L358 WeakPolarHBondContact O-CB 3.3Å; K354-L358 VanDerWaalsContact O-CG 3.32Å; K354-L358 WeakPolarHBondContact O-CG 3.39Å; K354-L358 PolarHBondContact O-N 3.35Å
355E90.3Very high89.6Confident18 Ų1846.7 Ų46.78%0.08426%0.259CS..Hα-helixtrans-61-39.2178-66.3-6215500111.8F306 S308 L351 L352 L359F306-E355 HydrophobicContact CD1-CB 4.01Å; F306-E355 HydrophobicContact CD1-CG 4.37Å; F306-E355 HydrophobicContact CD2-CB 4.35Å; F306-E355 HydrophobicContact CD2-CG 4.16Å; F306-E355 HydrophobicContact CE1-CB 3.94Å; F306-E355 HydrophobicContact CE2-CB 4.26Å; F306-E355 HydrophobicContact CE2-CG 4.46Å; F306-E355 HydrophobicContact CG-CB 4.23Å; F306-E355 HydrophobicContact CG-CG 4.11Å; F306-E355 HydrophobicContact CZ-CB 4.07Å; S308-E355 WeakPolarHBondContact CB-OE1 3.33Å; S308-E355 VanDerWaalsContact OG-CD 3.23Å; S308-E355 PolarHBondContact OG-OE1 2.61Å; S308-E355 PolarHBondContact OG-OE2 3.45Å; L351-E355 WeakPolarHBondContact O-CG 3.21Å; L351-E355 PolarHBondContact O-N 2.89Å; L351-E355 VanDerWaalsContact O-N 3.11Å; L352-E355 PolarHBondContact O-N 2.84Å; L352-E355 VanDerWaalsContact O-N 3.14Å; E355-L359 VanDerWaalsContact O-CB 3.31Å; E355-L359 WeakPolarHBondContact O-CB 3.27Å; E355-L359 PolarHBondContact O-N 3.45Å
356R89.2Confident90.1Very high13 Ų1342.9 Ų42.95%0.04924%0.239CC..Hα-helixtrans-62-46.8176-66.4-168177.4-165.2-1.8112.3G261 H318 M323 F342 L348 L352 S353 K354 L359 A360G261-R356 PolarHBondContact O-NH2 3.36Å; H318-R356 PolarHBondContact NE2-NH2 2.85Å; M323-R356 HydrophobicContact CE-CB 4.21Å; M323-R356 HydrophobicContact CE-CG 3.75Å; M323-R356 HydrophobicContact CG-CG 3.86Å; M323-R356 HydrophobicContact SD-CB 4.46Å; M323-R356 HydrophobicContact SD-CG 3.48Å; M323-R356 WeakPolarHBondContact SD-CG 3.5Å; M323-R356 PolarHBondContact SD-NE 3.21Å; M323-R356 VanDerWaalsContact SD-NE 3.38Å; F342-R356 HydrophobicContact CE1-CB 4.13Å; L348-R356 VanDerWaalsContact CD1-NH1 3.31Å; L352-R356 VanDerWaalsContact O-CG 3.29Å; L352-R356 WeakPolarHBondContact O-CG 3.4Å; L352-R356 PolarHBondContact O-N 2.91Å; S353-R356 PolarHBondContact O-N 3.27Å; K354-R356 VanDerWaalsContact C-N 3.3Å; K354-R356 PolarHBondContact O-N 2.89Å; R356-L359 PolarHBondContact O-N 3.35Å; R356-A360 PolarHBondContact O-N 2.96Å
357L93.2Very high90.7Very high0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-66.1-43.5179.4-68.5168.4000111.8V331 A339 F342 S353 K354 L359 A360 E361 L366 F377V331-L357 HydrophobicContact CG2-CD2 3.77Å; A339-L357 HydrophobicContact CB-CD1 4.25Å; F342-L357 HydrophobicContact CB-CD1 3.99Å; F342-L357 HydrophobicContact CD1-CD1 4.2Å; F342-L357 HydrophobicContact CD1-CD2 4.38Å; F342-L357 HydrophobicContact CD1-CG 4.11Å; F342-L357 HydrophobicContact CD2-CD2 4.34Å; F342-L357 HydrophobicContact CE1-CG 4.45Å; F342-L357 HydrophobicContact CG-CD1 4.17Å; F342-L357 HydrophobicContact CG-CD2 4.25Å; F342-L357 HydrophobicContact CG-CG 4.32Å; S353-L357 WeakPolarHBondContact O-CG 3.48Å; S353-L357 PolarHBondContact O-N 3.16Å; S353-L357 VanDerWaalsContact O-N 3.13Å; K354-L357 PolarHBondContact O-N 2.9Å; L357-L359 VanDerWaalsContact C-N 3.27Å; L357-L359 PolarHBondContact O-N 2.7Å; L357-A360 PolarHBondContact O-N 2.7Å; L357-E361 WeakPolarHBondContact O-CB 3.43Å; L357-E361 PolarHBondContact O-N 3.39Å; L357-L366 HydrophobicContact CD2-CD1 3.76Å; L357-F377 HydrophobicContact CB-CD1 4.09Å; L357-F377 HydrophobicContact CB-CD2 3.83Å; L357-F377 HydrophobicContact CB-CE1 4.03Å; L357-F377 HydrophobicContact CB-CE2 3.77Å; L357-F377 HydrophobicContact CB-CG 3.99Å; L357-F377 HydrophobicContact CB-CZ 3.87Å; L357-F377 HydrophobicContact CD1-CD2 3.71Å; L357-F377 HydrophobicContact CD1-CE2 4Å; L357-F377 HydrophobicContact CD1-CG 4.38Å; L357-F377 HydrophobicContact CD2-CB 4.36Å; L357-F377 HydrophobicContact CD2-CG 4.4Å; L357-F377 HydrophobicContact CG-CD2 4.23Å; L357-F377 HydrophobicContact CG-CE2 4.5Å; L357-F377 HydrophobicContact CG-CG 4.49Å
358L92.4Very high91.4Very high42 Ų4244.4 Ų44.422%0.2222%0.224CC..Hα-helixtrans-62.5-34.7175.4-73.1173.1000112.3K354 E361 K362 F377K354-L358 HydrophobicContact CG-CD1 3.96Å; K354-L358 HydrophobicContact CG-CG 4.39Å; K354-L358 WeakPolarHBondContact O-CB 3.3Å; K354-L358 VanDerWaalsContact O-CG 3.32Å; K354-L358 WeakPolarHBondContact O-CG 3.39Å; K354-L358 PolarHBondContact O-N 3.35Å; L358-E361 PolarHBondContact O-N 3.49Å; L358-K362 WeakPolarHBondContact O-CB 3.34Å; L358-K362 PolarHBondContact O-N 2.94Å; L358-F377 HydrophobicContact CD2-CE1 4.18Å; L358-F377 HydrophobicContact CD2-CZ 3.86Å; L358-F377 HydrophobicContact CG-CZ 4.18Å
359L89.6Confident92Very high16 Ų1646.9 Ų46.98%0.08424%0.237CC..Hα-helixtrans-69.7-44.8176.8-173.164.7000112E320 M323 I324 E355 R356 L357 E361 K362 M363E320-L359 HydrophobicContact CG-CD2 3.65Å; E320-L359 WeakPolarHBondContact OE1-CD1 3.37Å; E320-L359 WeakPolarHBondContact OE1-CD2 3.23Å; M323-L359 HydrophobicContact CE-CD2 3.37Å; I324-L359 HydrophobicContact CD1-CD2 4.39Å; I324-L359 HydrophobicContact CD1-CG 4.28Å; I324-L359 HydrophobicContact CG1-CD2 4.39Å; I324-L359 HydrophobicContact CG1-CG 4.38Å; E355-L359 VanDerWaalsContact O-CB 3.31Å; E355-L359 WeakPolarHBondContact O-CB 3.27Å; E355-L359 PolarHBondContact O-N 3.45Å; R356-L359 PolarHBondContact O-N 3.35Å; L357-L359 VanDerWaalsContact C-N 3.27Å; L357-L359 PolarHBondContact O-N 2.7Å; L359-E361 PolarHBondContact O-N 2.94Å; L359-K362 WeakPolarHBondContact O-CB 3.48Å; L359-K362 PolarHBondContact O-N 3.36Å; L359-M363 WeakPolarHBondContact O-CG 3.45Å; L359-M363 PolarHBondContact O-N 2.84Å
360A92.9Very high92.4Very high0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-62.1-35.3174.800000111.9I324 A327 R356 L357 M363 G364 H365 L366I324-A360 HydrophobicContact CG1-CB 4.49Å; I324-A360 HydrophobicContact CG2-CB 3.98Å; A327-A360 HydrophobicContact CB-CB 4.37Å; R356-A360 PolarHBondContact O-N 2.96Å; L357-A360 PolarHBondContact O-N 2.7Å; A360-M363 PolarHBondContact O-N 3.41Å; A360-G364 PolarHBondContact O-N 2.86Å; A360-H365 WeakPolarHBondContact O-CB 3.38Å; A360-H365 PolarHBondContact O-N 2.65Å; A360-L366 HydrophobicContact CB-CD1 3.68Å; A360-L366 HydrophobicContact CB-CG 3.89Å; A360-L366 PolarHBondContact O-N 2.89Å
361E94.3Very high92.5Very high36 Ų3650 Ų5017%0.16825%0.253CS..Hα-helixtrans-65.5-45.7171.5-169-150.4161.400112.3L357 L358 L359 M363 G364 L366 R368 F377L357-E361 WeakPolarHBondContact O-CB 3.43Å; L357-E361 PolarHBondContact O-N 3.39Å; L358-E361 PolarHBondContact O-N 3.49Å; L359-E361 PolarHBondContact O-N 2.94Å; E361-M363 PolarHBondContact O-N 3.39Å; E361-G364 WeakPolarHBondContact O-CA 3.48Å; E361-G364 PolarHBondContact O-N 2.9Å; E361-L366 WeakPolarHBondContact CA-O 3.43Å; E361-L366 HydrophobicContact CB-CB 4.29Å; E361-L366 WeakPolarHBondContact CG-O 3.4Å; E361-R368 VanDerWaalsContact CD-NE 3.27Å; E361-R368 IonicContact OE1-CZ 3.11Å; E361-R368 IonicContact OE1-NE 2.66Å; E361-R368 PolarHBondContact OE1-NE 3.33Å; E361-R368 IonicContact OE1-NH2 3.58Å; E361-R368 PolarHBondContact OE1-NH2 2.82Å; E361-R368 IonicContact OE2-CZ 3.17Å; E361-R368 IonicContact OE2-NE 2.77Å; E361-R368 PolarHBondContact OE2-NE 3.03Å; E361-R368 IonicContact OE2-NH2 3.15Å; E361-R368 PolarHBondContact OE2-NH2 3.17Å; E361-F377 HydrophobicContact CB-CD1 4.42Å; E361-F377 HydrophobicContact CB-CE1 4.17Å; E361-F377 HydrophobicContact CG-CE1 4.48Å
362K91.8Very high92.6Very high127 Ų12753.6 Ų53.655%0.55228%0.278SS*.Hα-helixtrans-59.7-32.3177.4-172.8-179.1179.9-177.50112.3D307 L358 L359 G364D307-K362 IonicContact OD1-NZ 2.82Å; D307-K362 IonicContact OD2-NZ 3.93Å; D307-K362 PolarHBondContact OD2-NZ 3.01Å; L358-K362 WeakPolarHBondContact O-CB 3.34Å; L358-K362 PolarHBondContact O-N 2.94Å; L359-K362 WeakPolarHBondContact O-CB 3.48Å; L359-K362 PolarHBondContact O-N 3.36Å; K362-G364 VanDerWaalsContact C-N 3.25Å
363M91.4Very high92.5Very high97 Ų9762 Ų6248%0.47832%0.317SS..THydrogen-bonded Turntrans-81.7-1174.6-64.9-64.297.400113.5I324 L359 A360 E361I324-M363 HydrophobicContact CD1-CG 3.84Å; L359-M363 WeakPolarHBondContact O-CG 3.45Å; L359-M363 PolarHBondContact O-N 2.84Å; A360-M363 PolarHBondContact O-N 3.41Å; E361-M363 PolarHBondContact O-N 3.39Å
364G93.4Very high92.4Very high36 Ų3663.3 Ų63.337%0.37133%0.331SS..THydrogen-bonded Turntrans81.19.417600000114.8A360 E361 K362 N380A360-G364 PolarHBondContact O-N 2.86Å; E361-G364 WeakPolarHBondContact O-CA 3.48Å; E361-G364 PolarHBondContact O-N 2.9Å; K362-G364 VanDerWaalsContact C-N 3.25Å; G364-N380 VanDerWaalsContact O-CB 3.3Å; G364-N380 WeakPolarHBondContact O-CB 3.38Å; G364-N380 PolarHBondContact O-ND2 2.95Å
365H94.4Very high92.5Very high85 Ų8561 Ų6139%0.39432%0.323SS..SBendtrans-81-32177.4-65.6-69.1000112.8I324 L328 A360 N380I324-H365 HydrophobicContact CG2-CB 4.49Å; I324-H365 WeakPolarHBondContact CG2-CD2 3.45Å; L328-H365 HydrophobicContact CD1-CB 4.38Å; L328-H365 HydrophobicContact CD2-CB 4.29Å; A360-H365 WeakPolarHBondContact O-CB 3.38Å; A360-H365 PolarHBondContact O-N 2.65Å; H365-N380 WeakPolarHBondContact O-CB 3.42Å; H365-N380 PolarHBondContact O-N 2.77Å
366L96.7Very high92.8Very high3 Ų363 Ų632%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-117.3154.4177.9-58.9-178.5000110.8L328 V331 L357 A360 E361 F377 Y378L328-L366 HydrophobicContact CD1-CD2 3.78Å; V331-L366 HydrophobicContact CB-CD2 3.96Å; V331-L366 HydrophobicContact CG1-CD2 3.79Å; V331-L366 HydrophobicContact CG2-CD1 4.07Å; V331-L366 HydrophobicContact CG2-CD2 4.22Å; L357-L366 HydrophobicContact CD2-CD1 3.76Å; A360-L366 HydrophobicContact CB-CD1 3.68Å; A360-L366 HydrophobicContact CB-CG 3.89Å; A360-L366 PolarHBondContact O-N 2.89Å; E361-L366 WeakPolarHBondContact CA-O 3.43Å; E361-L366 HydrophobicContact CB-CB 4.29Å; E361-L366 WeakPolarHBondContact CG-O 3.4Å; L366-F377 HydrophobicContact CB-CD1 4.44Å; L366-F377 HydrophobicContact CD1-CB 4.25Å; L366-F377 HydrophobicContact CD1-CD1 4.49Å; L366-Y378 CarbonylContact C-O 3.56Å; L366-Y378 VanDerWaalsContact CA-O 3.23Å; L366-Y378 WeakPolarHBondContact CA-O 3.38Å; L366-Y378 WeakPolarHBondContact CD2-O 3.3Å
367C96.4Very high93.2Very high27 Ų2762.4 Ų62.418%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-120151.7166.459.80000109.7F377 Y378 N380C367-F377 WeakPolarHBondContact O-CA 3.41Å; C367-Y378 PolarHBondContact N-O 2.86Å; C367-Y378 PolarHBondContact O-N 3.48Å; C367-N380 HydrophobicContact CB-CB 4.44Å
368R95.1Very high93.4Very high130 Ų13066.5 Ų66.549%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-101142.5-18082.1178.481.4-169.60.3111.1E361 L375 R376 F377E361-R368 VanDerWaalsContact CD-NE 3.27Å; E361-R368 IonicContact OE1-CZ 3.11Å; E361-R368 IonicContact OE1-NE 2.66Å; E361-R368 PolarHBondContact OE1-NE 3.33Å; E361-R368 IonicContact OE1-NH2 3.58Å; E361-R368 PolarHBondContact OE1-NH2 2.82Å; E361-R368 IonicContact OE2-CZ 3.17Å; E361-R368 IonicContact OE2-NE 2.77Å; E361-R368 PolarHBondContact OE2-NE 3.03Å; E361-R368 IonicContact OE2-NH2 3.15Å; E361-R368 PolarHBondContact OE2-NH2 3.17Å; R368-L375 HydrophobicContact CB-CD1 3.86Å; R368-L375 HydrophobicContact CG-CD1 4.2Å; R368-R376 CarbonylContact C-O 3.49Å; R368-R376 WeakPolarHBondContact CA-O 3.43Å; R368-F377 HydrophobicContact CB-CD1 4.36Å; R368-F377 HydrophobicContact CB-CE1 4.24Å
369D95.3Very high93.6Very high73 Ų7366.1 Ų66.139%0.3934%0.343SS..EExtended strand (participates in β ladder)trans-115.8118.2164.4179.233.9000107.8R376 Y378D369-R376 PolarHBondContact N-O 2.98Å; D369-R376 PolarHBondContact O-N 3.39Å; D369-Y378 HydrophobicContact CB-CD2 4.12Å; D369-Y378 HydrophobicContact CB-CE2 3.78Å
370D94.5Very high93.9Very high123 Ų12368.3 Ų68.366%0.65836%0.355SS*.EExtended strand (participates in β ladder)trans-112.6104.9-179.1-165.9-8.4000108.5L375D370-L375 HydrophobicContact CB-CD1 4.15Å
371S93Very high93.8Very high47 Ų4773.8 Ų73.833%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-130.1178.2-175.577.60000111.4E373 G374S371-E373 PolarHBondContact O-N 3.17Å; S371-E373 VanDerWaalsContact O-N 3.16Å; S371-E373 PolarHBondContact OG-N 2.81Å; S371-G374 PolarHBondContact N-O 2.92Å; S371-G374 PolarHBondContact O-N 3.21Å
372V90.6Very high93.5Very high156 Ų15683.2 Ų83.295%0.94543%0.434SS*.THydrogen-bonded Turntrans-60.9-21173.4-63.90000113.2G374V372-G374 VanDerWaalsContact C-N 3.27Å
373E85.3Confident93.6Very high178 Ų17881.1 Ų81.183%0.83243%0.428SS*.THydrogen-bonded Turntrans-81-11.6176.4-57.4-174.6174.300112.2S371S371-E373 PolarHBondContact O-N 3.17Å; S371-E373 VanDerWaalsContact O-N 3.16Å; S371-E373 PolarHBondContact OG-N 2.81Å
374G89.6Confident93.7Very high29 Ų2980.2 Ų80.230%0.29943%0.426SS..EExtended strand (participates in β ladder)trans117.1-178.2178.200000113.5S371 V372S371-G374 PolarHBondContact N-O 2.92Å; S371-G374 PolarHBondContact O-N 3.21Å; V372-G374 VanDerWaalsContact C-N 3.27Å
375L93.9Very high93.7Very high45 Ų4582.7 Ų82.724%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-84.1115.4179.2179.966.4000110.5R368 D370 F377R368-L375 HydrophobicContact CB-CD1 3.86Å; R368-L375 HydrophobicContact CG-CD1 4.2Å; D370-L375 HydrophobicContact CB-CD1 4.15Å; L375-F377 HydrophobicContact CD2-CE2 3.98Å; L375-F377 HydrophobicContact CD2-CZ 3.97Å; L375-F377 HydrophobicContact CG-CE2 3.96Å; L375-F377 HydrophobicContact CG-CZ 4.22Å
376R96.4Very high93.7Very high60 Ų6082.5 Ų82.523%0.22643%0.431CS..EExtended strand (participates in β ladder)trans-121.8146.1-178.8-169.5171.5-93.2-82.1-5.1110.3S336 T338 E341 R368 D369 Y378S336-R376 PolarHBondContact O-NH1 2.87Å; S336-R376 WeakPolarHBondContact OG-CD 3.45Å; S336-R376 PolarHBondContact OG-NH1 3.35Å; T338-R376 HydrophobicContact CG2-CB 4.34Å; T338-R376 HydrophobicContact CG2-CG 4.39Å; E341-R376 VanDerWaalsContact CD-NH2 3.34Å; E341-R376 IonicContact OE1-CZ 2.76Å; E341-R376 IonicContact OE1-NH2 2.7Å; E341-R376 PolarHBondContact OE1-NH2 2.86Å; E341-R376 IonicContact OE2-CZ 2.85Å; E341-R376 IonicContact OE2-NH1 3.87Å; E341-R376 PolarHBondContact OE2-NH1 3.15Å; E341-R376 IonicContact OE2-NH2 3.11Å; E341-R376 PolarHBondContact OE2-NH2 3.49Å; R368-R376 CarbonylContact C-O 3.49Å; R368-R376 WeakPolarHBondContact CA-O 3.43Å; D369-R376 PolarHBondContact N-O 2.98Å; D369-R376 PolarHBondContact O-N 3.39Å; R376-Y378 HydrophobicContact CB-CE2 4.14Å; R376-Y378 WeakPolarHBondContact CD-OH 3.5Å; R376-Y378 HydrophobicContact CG-CD2 4.46Å; R376-Y378 HydrophobicContact CG-CE2 3.78Å
377F97.4Very high93.5Very high1 Ų187.5 Ų87.50%0.00446%0.457CS..EExtended strand (participates in β ladder)trans-112.6138.9-179.6-66.2-94.7000110.6V331 S336 L337 L357 L358 E361 L366 C367 R368 L375V331-F377 WeakPolarHBondContact CG1-O 3.48Å; S336-F377 VanDerWaalsContact CA-O 3.25Å; S336-F377 WeakPolarHBondContact CA-O 3.22Å; S336-F377 WeakPolarHBondContact CB-O 3.45Å; L337-F377 PolarHBondContact N-O 3.48Å; L337-F377 PolarHBondContact O-N 3.34Å; L357-F377 HydrophobicContact CB-CD1 4.09Å; L357-F377 HydrophobicContact CB-CD2 3.83Å; L357-F377 HydrophobicContact CB-CE1 4.03Å; L357-F377 HydrophobicContact CB-CE2 3.77Å; L357-F377 HydrophobicContact CB-CG 3.99Å; L357-F377 HydrophobicContact CB-CZ 3.87Å; L357-F377 HydrophobicContact CD1-CD2 3.71Å; L357-F377 HydrophobicContact CD1-CE2 4Å; L357-F377 HydrophobicContact CD1-CG 4.38Å; L357-F377 HydrophobicContact CD2-CB 4.36Å; L357-F377 HydrophobicContact CD2-CG 4.4Å; L357-F377 HydrophobicContact CG-CD2 4.23Å; L357-F377 HydrophobicContact CG-CE2 4.5Å; L357-F377 HydrophobicContact CG-CG 4.49Å; L358-F377 HydrophobicContact CD2-CE1 4.18Å; L358-F377 HydrophobicContact CD2-CZ 3.86Å; L358-F377 HydrophobicContact CG-CZ 4.18Å; E361-F377 HydrophobicContact CB-CD1 4.42Å; E361-F377 HydrophobicContact CB-CE1 4.17Å; E361-F377 HydrophobicContact CG-CE1 4.48Å; L366-F377 HydrophobicContact CB-CD1 4.44Å; L366-F377 HydrophobicContact CD1-CB 4.25Å; L366-F377 HydrophobicContact CD1-CD1 4.49Å; C367-F377 WeakPolarHBondContact O-CA 3.41Å; R368-F377 HydrophobicContact CB-CD1 4.36Å; R368-F377 HydrophobicContact CB-CE1 4.24Å; L375-F377 HydrophobicContact CD2-CE2 3.98Å; L375-F377 HydrophobicContact CD2-CZ 3.97Å; L375-F377 HydrophobicContact CG-CE2 3.96Å; L375-F377 HydrophobicContact CG-CZ 4.22Å
378Y97.1Very high93.3Very high85 Ų8591.5 Ų91.533%0.33348%0.475SS..EExtended strand (participates in β ladder)trans-127.4156.1-179.8-70.2-97.4000110.3S336 L366 C367 D369 R376 N380S336-Y378 VanDerWaalsContact CB-CD1 3.41Å; S336-Y378 VanDerWaalsContact CB-CZ 3.43Å; L366-Y378 CarbonylContact C-O 3.56Å; L366-Y378 VanDerWaalsContact CA-O 3.23Å; L366-Y378 WeakPolarHBondContact CA-O 3.38Å; L366-Y378 WeakPolarHBondContact CD2-O 3.3Å; C367-Y378 PolarHBondContact N-O 2.86Å; C367-Y378 PolarHBondContact O-N 3.48Å; D369-Y378 HydrophobicContact CB-CD2 4.12Å; D369-Y378 HydrophobicContact CB-CE2 3.78Å; R376-Y378 HydrophobicContact CB-CE2 4.14Å; R376-Y378 WeakPolarHBondContact CD-OH 3.5Å; R376-Y378 HydrophobicContact CG-CD2 4.46Å; R376-Y378 HydrophobicContact CG-CE2 3.78Å; Y378-N380 PolarHBondContact O-N 3.24Å
379P96.6Very high93.2Very high34 Ų3488.8 Ų88.822%0.22147%0.474CS..EExtended strand (participates in β ladder)trans-60.8131.5169.9-19.433.3000110.4L328 V331 G335 S381L328-P379 HydrophobicContact CD1-CB 4.38Å; V331-P379 HydrophobicContact CG1-CG 4.14Å; G335-P379 WeakPolarHBondContact O-CD 3.32Å; P379-S381 PolarHBondContact O-N 2.66Å
380N95.4Very high93Very high63 Ų6390 Ų9034%0.33748%0.481SS..  trans-74112.6-179.1-171.813.3000110.8G364 H365 C367 Y378 F382G364-N380 VanDerWaalsContact O-CB 3.3Å; G364-N380 WeakPolarHBondContact O-CB 3.38Å; G364-N380 PolarHBondContact O-ND2 2.95Å; H365-N380 WeakPolarHBondContact O-CB 3.42Å; H365-N380 PolarHBondContact O-N 2.77Å; C367-N380 HydrophobicContact CB-CB 4.44Å; Y378-N380 PolarHBondContact O-N 3.24Å; N380-F382 WeakPolarHBondContact OD1-CD2 3.46Å; N380-F382 PolarHBondContact OD1-N 3.2Å
381S91.1Very high92.9Very high114 Ų11487.3 Ų87.380%0.79747%0.466SS*.  trans-109.98.9178.1-55.40000113.3P379P379-S381 PolarHBondContact O-N 2.66Å
382F88.8Confident92.9Very high235 Ų23590.9 Ų90.9100%1.03148%0.478SS*.  trans-90.70-174.6-65.2-76.7000114.1N380N380-F382 WeakPolarHBondContact OD1-CD2 3.46Å; N380-F382 PolarHBondContact OD1-N 3.2Å

Retrieved 382 of 382 residues in 287.7 ms (Link to these results)

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